# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:57:36+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The Journal of Organic Chemistry') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100509","18.003","0.001","14.474","0.001","28.384","0.001","90","","90","","90","","7396.17","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H74 B2 P2 -","- C33 H78 B2 P2 -","- C264 H624 B16 P16 -","8","1","","Graf, Claus-Dieter; Malan, Christophe; Harms, Klaus; Knochel, Paul","New Homochiral Ligands Bearing Nonstereogenic Chirotopic Centers. Lithiated N,N'-Dialkylureas as Chiral Bases and Sterically Crowded Phosphines for Asymmetric Catalysis","Journal of Organic Chemistry","1999","64","15","5581","5588","10.1021/jo990412u","","","","","","","","","","","","","","","","","","","","","has coordinates","177997","2020-10-21","18:00:00",""
"2000093","7.594","0.003","17.346","0.004","14.106","0.002","90","","98.74","0.02","90","","1836.54","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N5 P2 -","- C17 H19 N5 P2 -","- C68 H76 N20 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.033","","","0.033","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000094","40.127","0.006","12.434","0.003","14.716","0.002","90","","92.87","0.02","90","","7333.18","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 Co2 O4 P2 -","- C37 H28 Co2 O4 P2 -","- C296 H224 Co16 O32 P16 -","8","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000095","14.128","0.005","14.927","0.006","17.277","0.009","90","","110.7","0.04","90","","3408.31","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C37 H29 Co2 N O4 P2 -","- C37 H29 Co2 N O4 P2 -","- C148 H116 Co8 N4 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000096","7.166","0.002","9.205","0.003","28.231","0.009","90","","90","","90","","1862.2","","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Co2 F4 N O4 P2 -","- C13 H9 Co2 F4 N O4 P2 -","- C52 H36 Co8 F16 N4 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.04","","","0.04","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000097","10.611","0.002","12.401","0.006","15.96","0.004","111.07","0.04","98.14","0.02","76.85","0.03","1904.19","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H13 Co2 F24 N O8 P2 -","- C25 H13 Co2 F24 N O8 P2 -","- C50 H26 Co4 F48 N2 O16 P4 -","2","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.039","","","0.039","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000098","14.148","0.004","13.928","0.004","17.126","0.003","90","","111.54","0.02","90","","3139.05","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H25 Co2 N5 O4 P2 -","- C29 H25 Co2 N5 O4 P2 -","- C116 H100 Co8 N20 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.021","","","0.021","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000101","10.091","0.006","10.002","0.002","11.524","0.003","90","","105.06","0.04","90","","1123.17","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N P2 -","- C25 H23 N P2 -","- C50 H46 N2 P4 -","2","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.032","","","0.032","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"4020000","12.762","0.0016","6.8946","0.0009","17.222","0.002","90","","98.533","0.002","90","","1498.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N2 O0.5 -","- C17 H21 N2 O0.5 -","- C68 H84 N8 O2 -","4","2","","Steven M. Allin; Christopher I. Thomas; Kevin Doyle; Mark R. J. Elsegood","","Journal of Organic Chemistry","2005","70","","357","359","10.1021/jo040245k","","x-ray","0.71073","MoKα","","0.0687","0.0429","","","0.0918","0.1051","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020001","6.9145","0.001","20.9656","0.0019","21.9283","0.0017","90","","90","","90","","3178.9","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N6 O8 Si -","- C28 H42 N6 O8 Si -","- C112 H168 N24 O32 Si4 -","4","1","","Yu Lin Jiang; Carissa J. Wiederholf; Jennifer N. Patro; Kazuhiro Haraguchi; Marc M. Greenberg","","Journal of Organic Chemistry","2005","70","","141","149","10.1021/jo048253o","","","0.71073","","","0.0796","0.0615","","","0.1513","0.1618","","","","","","1.108","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020002","9.6715","0.0003","9.9913","0.0003","10.0792","0.0004","69.312","0.0014","85.197","0.0015","72.302","0.0016","867.73","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7,7'-dihydroxy-8,8'-biquinolyl dimethanol solvate","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","x-ray","0.71073","MoKα","","0.1072","0.0843","","","0.2792","0.3006","","","","","","1.213","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020003","10.361","0.0002","7.742","0.0002","15.539","0.0004","90","","107.664","0.001","90","","1187.69","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl (8-iodo-7-hydroxy-6-quinolyl)carboxamide","","- C12 H11 I N2 O2 -","- C12 H11 I N2 O2 -","- C48 H44 I4 N8 O8 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","x-ray","0.71073","MoKα","","0.0362","0.0254","","","0.0637","0.0671","","","","","","1.054","","","","has coordinates","270064","2021-10-23","04:42:05",""
"4020004","12.3233","0.0002","18.2087","0.0004","13.2098","0.0003","90","","102.782","0.0011","90","","2890.71","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7,7'-bis(diethylaminocarbonyloxy)-6,6'-diiodo-8,8'-biquinolyl","","- C28 H28 I2 N4 O4 -","- C28 H28 I2 N4 O4 -","- C112 H112 I8 N16 O16 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","","0.71073","MoKα","","0.0603","0.0352","","","0.0775","0.086","","","","","","1.025","","","","has coordinates","270064","2021-10-23","04:42:05",""
"4020005","9.7483","0.0014","17.536","0.003","21.06","0.003","90","","90","","90","","3600.1","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 N2 O2 P2 Pd -","- C44 H38 N2 O2 P2 Pd -","- C176 H152 N8 O8 P8 Pd4 -","4","1","","Kevin R. Campos; Michel Journet; Sandra Lee; Edward J. J. Grabowski; Richard D. Tillyer","","Journal of Organic Chemistry","2005","70","","268","274","10.1021/jo048305+","","","0.71073","MoKα","","0.0578","0.0469","","","0.0873","0.0904","","","","","","0.895","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020006","9.5","0.0019","10.95","0.002","11.14","0.002","62.38","0.03","79.77","0.03","80.06","0.03","1005","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","8-Benzyloxycarbonylaminomethyl-1-phenyl-2-thia-6-aza-bicyclo[4.2.0]octan-7-one","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C42 H44 N4 O6 S2 -","2","1","","Xu, J. X.; Jiao, Lei; Liang, Yong; Zhang, Shiwei","","Journal of Organic Chemistry","2005","70","","334","337","10.1021/jo048328o","","x-ray","0.71073","MoKα","","0.0927","0.0563","","","0.1439","0.1545","","","","","","1.018","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020007","6.7258","0.0004","14.2377","0.001","16.1488","0.0011","90","","96.325","0.004","90","","1536.99","0.18","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","Takahiro Tokuyasu; Shigeki Kunikawa; Kevin J. McCullough; Araki Masuyama; Masatomo Nojima","","Journal of Organic Chemistry","2005","70","","251","260","10.1021/jo048359j","","","0.71073","MoKα","","0.0581","0.043","","","0.1257","0.1342","","","","","","1.106","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020008","8.0723","0.0016","12.111","0.002","34.684","0.007","90","","90","","90","","3391","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C152 H136 N24 O8 -","8","2","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1149","0.0462","","","0.0825","0.0986","","","","","","1.031","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020009","15.139","0.003","7.9773","0.0016","10.163","0.002","90","","90","","90","","1227.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.0706","0.0492","","","0.0887","0.0957","","","","","","1.125","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020010","7.1662","0.0014","7.6325","0.0015","23.207","0.005","90","","90","","90","","1269.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13.5 Cl2 N2 Zn -","- C9 H13.5 Cl2 N2 Zn -","- C36 H54 Cl8 N8 Zn4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1261","0.0956","","","0.1703","0.1787","","","","","","1.378","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020011","10.6675","0.0004","11.0586","0.0005","16.5092","0.0007","90","","90","","90","","1947.55","0.14","198","2","198","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Mingshi Dai; Xuqing Zhang; Seock-Kyu Khim; Arthur G. Schultz","","Journal of Organic Chemistry","2005","70","","384","387","10.1021/jo048408s","","","0.71073","MoKα","","0.0312","0.0303","","","0.081","0.0822","","","","","","1.034","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020012","19.3269","0.0009","13.4544","0.0007","19.8413","0.0009","90","","90","","90","","5159.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 O2 -","- C32 H33.33 N2 O2 -","- C256 H266.64 N16 O16 -","8","1","","Shoji, Mitsuru; Imai, Hiroki; Mukaida, Makoto; Sakai, Ken; Kakeya, Hideaki; Osada, Hiroyuki; Ayashi, Yujiro","The Total Synthesis of Epoxyquinols A, B, C and RKB-3564D and the Reactivity of a 2H-Pyran Derivative as the Diene Component in the Diels-Alder Reaction","Journal of Organic Chemistry","2005","70","","79","91","10.1021/jo048425h","","","0.71073","MoKα","","0.08","0.0647","","","0.1339","0.1407","","","","","","1.204","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020013","16.04","0.06","9.16","0.03","16.62","0.1","90","","117.75","0.04","90","","2162.7","1.7","193.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 I2 N2 Sn2 -","- C26 H14 I2 N2 Sn2 -","- C52 H28 I4 N4 Sn4 -","2","1","","Robert E. Gawley; Sanjay Narayan; David A. Vicic","Absolute Configuration of 2-(Tributylstannyl)pyrrolidine by Anomalous Dispersion X-ray Analysis","Journal of Organic Chemistry","2005","70","","328","329","10.1021/jo048569w","","","0.7107","MoKα","","","0.097","","","","0.144","","","","","","14.209","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020014","16.6111","0.0004","16.6111","0.0004","14.6749","0.0008","90","","90","","120","","3506.7","0.2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C36 H108 Cl3 Cu24 F18 O36 P21 S36 -","3","0.166667","","Gerald F. Manbeck; Adam J. Lipman; Robert A. Stockland, Jr.; Adrienne L. Freidl; Amy F. Hasler; Joshua J. Stone; Ilia A. Guzei","Organosoluble Copper Clusters as Precatalysts for Carbon-Heteroelement Bond-Forming Reactions: Microwave and Conventional Heating","Journal of Organic Chemistry","2005","70","","244","250","10.1021/jo048761y","","","0.71073","MoKα","","0.0227","0.0218","","","0.057","0.0577","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020015","6.589","0.001","8.452","0.001","10.757","0.001","108.41","0.01","96.9","0.01","92.79","0.01","561.9","0.1","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3B,8A,9B-TRIACETOXY-4A-HYDROXY-7-EPI-EUDESMANE","","- C21 H36 O8 -","- C21 H36 O8 -","- C21 H36 O8 -","1","1","","García-Granados, A.; Gutiérrez, M.C.; Martínez, A.; Rivas, F.","Enzyme-catalyzed rearrangement of a diepoxy-germacrane compound into a new 7-epi-eudesmane derivative","Journal of Organic Chemistry","2005","70","","338","341","10.1021/jo048783k","","","0.71073","MoKα","","0.048","0.0449","","","0.145","0.1532","","","","","","0.804","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020016","12.511","0.014","5.682","0.008","18.53","0.02","90","","102.443","0.01","90","","1286","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","","Francesca Aulenta; Michael G.B. Drew; Alison Foster; Wayne Hayes; Steven Rannard; David W. Thornthwaite; David R. Worrall; Tristan G.A. Youngs","","Journal of Organic Chemistry","2005","70","","63","78","10.1021/jo048799a","","","0.71073","MoKα","","0.1252","0.0953","","","0.1773","0.1895","","","","","","1.264","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020017","12.6","0.015","6.37","0.009","14.56","0.017","90","","98.771","0.01","90","","1155","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Francesca Aulenta; Michael G.B. Drew; Alison Foster; Wayne Hayes; Steven Rannard; David W. Thornthwaite; David R. Worrall; Tristan G.A. Youngs","","Journal of Organic Chemistry","2005","70","","63","78","10.1021/jo048799a","","","0.71073","MoKα","","0.1562","0.1129","","","0.2632","0.2979","","","","","","1.201","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020018","9.7591","0.0009","11.4941","0.001","13.7768","0.0012","78.389","0.001","83.621","0.002","65.844","0.001","1380.5","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C80 H52 O4 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.08","0.044","","","0.0774","0.0858","","","","","","0.847","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020019","11.4168","0.0012","11.4846","0.0012","12.6673","0.0013","100.841","0.002","113.661","0.002","95.133","0.002","1468.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C42 H30 O3 -","- C42 H30 O3 -","- C84 H60 O6 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1378","0.0712","","","0.1904","0.2717","","","","","","0.979","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020020","11.4378","0.0009","11.8855","0.0009","13.221","0.001","93.018","0.001","110.931","0.001","113.913","0.001","1493","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C43.5 H26 O2 -","- C43.5 H26 O2 -","- C87 H52 O4 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.0989","0.0745","","","0.1665","0.1788","","","","","","1.125","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020021","11.422","0.003","11.422","0.003","40.05","0.02","90","","90","","120","","4525","3","153","2","153","2","","","","","","","","4","P 32 2 1","P 32 2""","154","VAPOL","","","- C40.5 H27 Cl O2 -","- C40.5 H27 Cl O2 -","- C243 H162 Cl6 O12 -","6","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1009","0.0672","","","0.1208","0.1536","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020022","11.174","0.001","13.185","0.001","56.18","0.005","90","","90","","90","","8277","1.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C480 H312 O24 -","12","3","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1388","0.0703","","","0.122","0.1526","","","","","","0.8","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020023","8.2629","0.0004","8.2629","0.0004","41.448","0.003","90","","90","","90","","2829.9","0.3","153","2","153","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C160 H104 O8 -","4","0.5","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.0739","0.065","","","0.115","0.1181","","","","","","1.237","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020024","15.881","0.0003","8.831","0.0002","18.638","0.0004","90","","121.089","0.0009","90","","2238.44","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","noe-si","AcNH-C4Ser-CH2O-SiPh2tBu","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C92 H124 N4 O12 Si4 -","4","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.0682","0.0501","","","0.1314","0.144","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020025","15.0571","0.0005","8.5111","0.0003","9.6337","0.0003","90","","105.119","0.0007","90","","1191.88","0.08","128","2","128","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ac-Glu(Oet)-OMe","2-acetamido-4-etoxicarbonilbutanoato de metilo","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.1","0.0728","","","0.2017","0.2225","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020026","10.9138","0.0002","14.241","0.0004","15.8931","0.0004","83.7604","0.0016","69.9967","0.0016","76.1331","0.0009","2252.53","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","noe-13-6","(Z)-2-hidroxi-1-TBDPS-1-acetamidociclobutano","","- C23 H31 N O3 Si -","- C46 H62 N2 O6 Si2 -","- C92 H124 N4 O12 Si4 -","2","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.1294","0.0608","","","0.1445","0.1742","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020027","5.122","0.003","17.263","0.008","21.099","0.007","90","","90","","90","","1865.6","1.5","153.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O6 -","- C20 H17 Br O6 -","- C80 H68 Br4 O24 -","4","1","","Hiroyuki Suga; Kei Inoue; Shuichi Inoue; Akikazu Kalehi; Motoo Shiro","","Journal of Organic Chemistry","2005","70","","47","56","10.1021/jo049007f","","","0.7107","MoKα","","","0.026","","","","0.0521","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020028","14.1821","0.0004","11.6288","0.0004","14.4777","0.0004","90","","90","","90","","2387.67","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C104 H144 Cl8 N8 O8 -","8","1","","Albert Padwa; Paitoon Rashatasakhon; Ayse Daut Ozdemir; Jerremey Willis","","Journal of Organic Chemistry","2005","70","","519","528","10.1021/jo048314i","","","1.54178","CuKα","","0.0514","0.0463","","","0.1156","0.1181","","","","","","1.215","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020029","7.7918","0.0013","19.181","0.003","10.7621","0.0018","90","","102.2","0.003","90","","1572.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.71073","MoKα","","0.1437","0.0715","","","0.1576","0.2011","","","","","","0.917","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020030","7.698","0.002","20.7","0.005","11.647","0.003","90","","104","3","90","","1798","26","100.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O3 -","- C19 H31 N O3 -","- C76 H124 N4 O12 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.7107","MoKα","","","0.0496","","","","0.0717","","","","","","0.949","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020031","8.2604","0.0015","8.8032","0.0016","12.583","0.002","84.95","0.004","79.407","0.004","66.465","0.004","824.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","1-isopropyl-2-[1-(2-isopropylphenyl)vinyl]benzene","","- C20 H24 -","- C20 H24 -","- C40 H48 -","2","1","","Lodovico Lunazzi; Andrea Mazzanti; Mirko Minzoni","Stereomutations of two-Bladed Propeller Derivatives: ortho-Substituted Diaryl-Ethylene and Diaryl-Ketone.","Journal of Organic Chemistry","2005","70","","456","462","10.1021/jo0483926","","","0.71073","MoKα","","0.086","0.0637","","","0.1962","0.2136","","","","","","1.074","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020032","12.26","0.003","7.9032","0.0016","23.177","0.005","90","","90","","90","","2245.7","0.9","84","2","84","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","methylphenylthioether","","","- C12 H16 S2 -","- C12 H16 S2 -","- C96 H128 S16 -","8","1","","Reginald H. Mitchell; Rachel Blunden; Gavin Hollett; Subhajit Bandyopadhyay; Richard Vaughan Williams; Brendan Twamley","","Journal of Organic Chemistry","2005","70","","675","680","10.1021/jo0484272","","","0.71073","MoKα","","0.0794","0.0504","","","0.1146","0.1291","","","","","","1.087","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020033","13.258","0.003","6.215","0.001","17.517","0.013","90","","94.7","0.03","90","","1438.5","1.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(p-trifluoromethylphenyl)buta-1,3-diyne","","- C18 H8 F6 -","- C18 H8 F6 -","- C72 H32 F24 -","4","1","","Batsanov, Andrei S.; Collings, Jonathan C.; Fairlamb, Ian J. S.; Holland, J. P.; Howard, J. A. K.; Lin, Z.; Marder, T. B.; Parsons, A. C.; Ward, R. M.; Zhu, J.","","Journal of Organic Chemistry","2005","70","","703","706","10.1021/jo048428u","","","0.71073","MoKα","","0.0595","0.0447","","","0.1142","0.1205","","","","","","1.057","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020034","21.693","0.002","7.4264","0.0004","21.2705","0.0016","90","","111.716","0.007","90","","3183.5","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-[4-Bromo-5-(hydroxyphenylmethyl)-thiazol-2-yl]-2,2-dimethylpropanamide","","- C15 H17 Br N2 O2 S -","- C15 H17 Br N2 O2 S -","- C120 H136 Br8 N16 O16 S8 -","8","1","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0533","0.0409","","","0.1053","0.1137","","","","","","1.036","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020035","11.9778","0.0013","7.1149","0.0008","14.3189","0.0016","90","","99.461","0.002","90","","1203.7","0.2","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","N-[5-Bromo-3-methyl-thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide","","- C9 H13 Br N2 O S -","- C9 H13 Br N2 O S -","- C36 H52 Br4 N8 O4 S4 -","4","1","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0571","0.041","","","0.1151","0.1268","","","","","","1.06","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020036","9.0101","0.0007","10.5938","0.0008","30.086","0.002","90","","91.797","0.002","90","","2870.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-2-phenylimino-thiazole-3-carboxylic acid 1,1-dimethylethylester","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","2","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0684","0.05","","","0.105","0.1122","","","","","","1.062","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020037","12.5501","0.0004","12.5501","0.0004","29.4265","0.0014","90","","90","","90","","4634.8","0.3","158","","158","","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C160 H224 Fe8 I8 N8 O8 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0211","0.0195","","0.0403","0.0399","","","","1.159","1.167","1.167","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020038","12.3661","0.0006","12.3661","0.0006","31.502","0.003","90","","90","","90","","4817.3","0.5","153","","153","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C176 H256 Fe8 I8 N8 O16 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0348","0.028","","0.0638","0.0617","","","","1.125","1.141","1.141","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020039","15.627","0.003","15.627","0.003","9.717","0.003","90","","90","","90","","2373","0.9","173","2","173","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C50 H34 I6 -","- C50 H34 I6 -","- C100 H68 I12 -","2","0.25","","Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi","","Journal of Organic Chemistry","2005","70","","749","752","10.1021/jo048521i","","","0.71073","MoKα","","0.1055","0.0587","","","0.1524","0.197","","","","","","1.069","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020040","11.637","0.004","13.29","0.004","18.076","0.005","92.762","0.004","102.061","0.004","111.491","0.004","2519.9","1.2","100.2","","100.2","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H53 O12.5 -","- C55 H25 O12.25 -","- C110 H50 O24.5 -","2","1","","Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi","","Journal of Organic Chemistry","2005","70","","749","752","10.1021/jo048521i","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020041","7.892","0.002","7.1872","0.0008","11.873","0.003","90","","98.59","0.02","90","","665.9","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N O2 -","- C13 H14 F3 N O2 -","- C26 H28 F6 N2 O4 -","2","1","","Nguyen Thi Ngoc Tam; Guillaume Magueur; Michèle Ourévitch; Benoit Crousse; Jean-Pierre Bégué; Danièle Bonnet-Delpon","","Journal of Organic Chemistry","2005","70","","699","702","10.1021/jo0485233","","","0.71073","MoKα","","0.0905","0.0672","","0.1116","0.0811","0.0811","","","","","","1.0238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020042","6.1456","0.0003","10.4226","0.0006","18.8079","0.001","90","","90","","90","","1204.7","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","","Bhalchandra V. Joshi; Hyung Ryong Moon; James C. Fettinger; Victor E. Marquez; Kenneth A. Jacobson","","Journal of Organic Chemistry","2005","70","","439","447","10.1021/jo0487606","","","0.71073","MoKα","","0.0406","0.0323","","","0.0766","0.0804","","","","","","1.123","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020043","9.741","0.006","4.787","0.004","27.44","0.02","90","","97.63","0.06","90","","1268","1","93.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H17 N O3 -","- C14 H12 N O3 -","- C56 H48 N4 O12 -","4","1","","Azusa Sato; Hisanaka Ito; Takeo Taguchi","","Journal of Organic Chemistry","2005","70","","709","712","10.1021/jo0489216","","","0.7107","MoKα","","","0.072","","","","0.154","","","","","","1.051","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020044","17.5307","0.0015","17.4709","0.0015","25.626","0.002","90","","105.381","0.001","90","","7567.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H104 O26 -","- C78 H98 O26 -","- C312 H392 O104 -","4","1","","Huang, Feihe; Zakharov, Lev N.; Rheingold, Arnold L.; Ashraf-Khorassani, Mehdi","Synthesis of a Symmetric Cylindrical Bis(crown ether) Host and Its Complexation with Paraquat","Journal of Organic Chemistry","2005","70","","809","813","10.1021/jo048111u","","","0.71073","MoKα","","0.0818","0.0622","","","0.1517","0.1628","","","","","","1.071","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020045","14.0015","0.0012","20.6348","0.0018","20.0547","0.0018","90","","101.645","0.001","90","","5674.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H129 F24 N7 O24 P4 -","- C96 H120 F24 N4 O24 P4 -","- C192 H240 F48 N8 O48 P8 -","2","0.5","","Huang, Feihe; Zakharov, Lev N.; Rheingold, Arnold L.; Ashraf-Khorassani, Mehdi","Synthesis of a Symmetric Cylindrical Bis(crown ether) Host and Its Complexation with Paraquat","Journal of Organic Chemistry","2005","70","","809","813","10.1021/jo048111u","","","0.71073","MoKα","","0.1428","0.1101","","","0.3122","0.3366","","","","","","1.092","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020046","11.833","0.002","15.927","0.003","15.686","0.003","90","","110.56","0.03","90","","2768.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H18 Cl2 O6 -","- C35 H18 Cl2 O6 -","- C140 H72 Cl8 O24 -","4","1","","Xiao-Zhang Zhu; Chuan-Feng Chen","","Journal of Organic Chemistry","2005","70","","917","924","10.1021/jo0483015","","","0.71073","MoKα","","0.1571","0.0685","","","0.1537","0.1811","","","","","","1.081","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020047","6.608","0.0011","8.373","0.0005","12.307","0.0008","100.772","0.005","98.244","0.009","111.589","0.008","605","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","""1-methyl-1-(2-oxo-propyl)-4a,5,8,8a-tetrahydro-1H-naphthalen-2-0ne"".","","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","","Vishwakarma Singh; Sridhar R. Iyer; Shaikh M. Mobin","","Journal of Organic Chemistry","2005","70","","973","981","10.1021/jo048320e","","","0.7093","MoKα","","0.0969","0.0523","","","0.1167","0.1392","","","","","","1.067","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020048","9.147","0.001","24.654","0.003","10.642","0.002","90","","103.71","0.01","90","","2331.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O7 -","- C23 H33 N O7 -","- C92 H132 N4 O28 -","4","1","","Kay M. Brummond; Sang-phyo Hong","","Journal of Organic Chemistry","2005","70","","907","916","10.1021/jo0483567","","","0.71073","MoKα","","0.1036","0.0487","","0.1382","0.1099","","","","1.041","1.162","1.162","","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020049","9.1321","0.0004","9.1935","0.0004","22.2192","0.001","80.69","0.001","82.866","0.001","69.114","0.001","1715.42","0.13","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H45 N O7 -","- C37 H45 N O7 -","- C74 H90 N2 O14 -","2","2","","Kay M. Brummond; Sang-phyo Hong","","Journal of Organic Chemistry","2005","70","","907","916","10.1021/jo0483567","","","0.71073","MoKα","","0.0991","0.0632","","","0.1585","0.173","","","","","","1.164","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020050","10.1891","0.0004","15.7633","0.0007","26.655","0.001","90","","90","","90","","4281.2","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N O2 P -","- C28 H20 N O2 P -","- C224 H160 N8 O16 P8 -","8","2","","Heiko Bernsmann; Michel van den Berg; Rob Hoen; Adriaan J. Minnaard; Gerlinde Mehler; Manfred T. Reetz; Johannes G. de Vries; Ben L. Feringa","","Journal of Organic Chemistry","2005","70","","943","951","10.1021/jo048374o","","","0.71073","MoKα","","0.0422","0.0385","","","0.0957","0.0971","","","","","","0.993","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020051","9.4395","0.0011","11.589","0.0014","15.0764","0.0018","90","","104.516","0.002","90","","1596.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","1","","Shengming Ma; Lianghua Lu; Ping Lu","","Journal of Organic Chemistry","2005","70","","1063","1065","10.1021/jo048430l","","","0.71073","MoKα","","0.0965","0.0455","","","0.0801","0.0927","","","","","","0.833","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020052","9.605","0.004","12.504","0.005","12.317","0.005","90","","115.094","0.004","90","","1339.7","1","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl P Se -","- C12 H16 Cl P Se -","- C48 H64 Cl4 P4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0361","","","","0.0979","","","","","","1.065","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020053","7.542","0.004","17.893","0.009","14.607","0.008","90","","96.622","0.006","90","","1958","1","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 P S Se Si -","- C15 H27 P S Se Si -","- C60 H108 P4 S4 Se4 Si4 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0465","","","","0.0903","","","","","","1.002","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020054","7.51","0.001","13.032","0.002","17.576","0.002","90","","99.495","0.008","90","","1696.5","0.4","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 P Se2 -","- C16 H19 P Se2 -","- C64 H76 P4 Se8 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0398","","","","0.0682","","","","","","0.81","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020055","9.555","0.0002","6.4178","0.0001","10.1281","0.0002","90","","104.113","0.001","90","","602.33","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C28 H44 O4 -","2","1","","Jamie B. Scaglione; Nigam P. Rath; Douglas F. Covey","","Journal of Organic Chemistry","2005","70","","1089","1092","10.1021/jo048561m","","","0.71073","MoKα","","0.0409","0.0359","","","0.0855","0.0885","","","","","","1.052","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020056","7.3819","0.0002","16.9618","0.0007","22.3703","0.0008","90","","90","","90","","2800.99","0.17","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0679","0.0435","","","0.1021","0.1159","","","","","","1.02","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020057","7.9575","0.0001","8.8478","0.0001","17.3936","0.0003","87.621","0.001","79.699","0.001","73.659","0.001","1156.16","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O6 S -","- C26 H23 N3 O6 S -","- C52 H46 N6 O12 S2 -","2","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0448","0.0364","","","0.0897","0.0949","","","","","","1.045","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020058","7.9615","0.0002","9.9599","0.0002","38.3334","0.001","90","","90","","90","","3039.68","0.13","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0936","","","","","","1.022","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020059","17.2915","0.0015","10.6152","0.0008","5.8951","0.0004","90","","90","","90","","1082.06","0.14","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","","Guindon, Yvan; Brigitte Guérin; Cardinal-David, Benoit","Structure of GUIN23","Journal of Organic Chemistry","2005","70","","776","784","10.1021/jo048687j","","","1.54178","CuKα","","0.0853","0.0743","","","0.2162","0.2277","","","","","","1.073","","","","has coordinates","201926","2020-10-21","18:00:00",""
"4020060","5.178","0.001","7.536","0.001","14.232","0.001","95.17","0.009","99.84","0.01","108.99","0.01","511.03","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (2R*,3aS*)-2-(Aminocarbonyl) tetrahydropyrrolo[1,2-b]isoxazole-3a(4H)-carboxylate","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","","Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi","","Journal of Organic Chemistry","2005","70","","856","867","10.1021/jo0487653","","","1.54178","CuKα","","0.0504","0.0485","","","0.1239","0.1262","","","","","","1.065","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020061","6.527","0.001","10.719","0.001","23.553","0.003","90","0.007","90","0.007","90","0.008","1647.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2R,7aR)-3-Oxo-2-{[(1R)-1-phenylethyl]amino} tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","","Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi","","Journal of Organic Chemistry","2005","70","","856","867","10.1021/jo0487653","","","1.54178","CuKα","","0.0389","0.0387","","","0.1089","0.1094","","","","","","1.047","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020062","15.9446","0.0012","16.674","0.0013","6.3663","0.0005","90","","90","","90","","1692.5","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl2 N O -","- C17 H21 Cl2 N O -","- C68 H84 Cl8 N4 O4 -","4","1","","Yu-Gui Si; Song-Po Guo; Wan-Jun Wang; Biao Jiang","","Journal of Organic Chemistry","2005","70","","1494","1496","10.1021/jo048101t","","","0.71073","MoKα","","0.0552","0.0422","","","0.0885","0.0933","","","","","","0.952","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020063","10.814","0.0001","13.7985","0.0002","23.5044","0.0003","90","","90","","90","","3507.26","0.07","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0392","0.0339","","0.0451","0.041","0.041","","","","","","1.0803","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020064","8.8162","0.0001","10.3256","0.0002","19.0296","0.0003","90","","94.8911","0.0006","90","","1726.01","0.05","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C76 H80 O28 -","4","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0371","0.0318","","0.0424","0.0386","0.0386","","","","","","1.112","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020065","8.549","0.004","10.236","0.004","35.646","0.015","90","","90","","90","","3119","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C128 H148 N4 O32 S4 -","4","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0584","0.044","","","0.0976","0.1099","","","","","","1.126","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020066","6.0773","0.0014","18.504","0.004","13.822","0.003","90","","98.045","0.005","90","","1539","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C64 H74 N2 O16 S2 -","2","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0912","0.0471","","","0.0831","0.095","","","","","","1.014","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020067","9.14","0.0018","11.024","0.002","12.862","0.003","66.1","0.03","83.81","0.03","86.17","0.03","1177.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H9 Cl9 -","- C26 H8 Cl9.0015 -","- C52 H16 Cl18.003 -","2","1","","Su-Yuan Xie; Yin Peng; Meng Chen; Rong-Bin Huang; Yuan L. Chow; Lan-Sun Zheng","","Journal of Organic Chemistry","2005","70","","1400","1407","10.1021/jo048190+","","","0.71073","MoKα","","0.1699","0.0721","","","0.1425","0.1832","","","","","","1.022","","","","has coordinates","201202","2020-10-21","18:00:00",""
"4020068","18.836","0.003","14.828","0.003","14.441","0.003","90","","99.516","0.003","90","","3978.1","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Cl3 N2 O4 -","- C49 H36 Cl3 N2 O4 -","- C196 H144 Cl12 N8 O16 -","4","0.5","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1535","0.0777","","","0.2011","0.248","","","","","","1.039","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020069","19.55","0.003","14.449","0.002","14.925","0.002","90","","96.767","0.003","90","","4186.7","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H42 N2 O4.5 -","- C52 H42 N2 O4.5 -","- C208 H168 N8 O18 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1289","0.0908","","","0.26","0.2954","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020070","11.2677","0.0019","16.808","0.003","25.638","0.004","90","","90","","90","","4855.5","1.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 N2 O6 -","- C62 H50 N2 O6 -","- C248 H200 N8 O24 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1616","0.0818","","","0.1983","0.2358","","","","","","0.847","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020071","22.015","0.005","13.7857","0.0008","14.917","0.002","90","","108.93","0.02","90","","4282","1","298.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N2 O4 -","- C54 H46 N2 O4 -","- C216 H184 N8 O16 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","1.5418","CuKα","","","0.0534","","","","0.0736","","","","","","1.696","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020072","21.571","0.004","10.548","0.002","19.756","0.003","90","","107.503","0.003","90","","4286","1","273.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 N2 O4 -","- C50 H54 N2 O4 -","- C200 H216 N8 O16 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.7107","MoKα","","","0.0685","","","","0.0768","","","","","","1.702","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020073","11.133","0.006","9.044","0.002","12.669","0.005","90","","90.45","0.04","90","","1275.6","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O3 -","- C29 H33 N O3 -","- C58 H66 N2 O6 -","2","1","","Stéphanie Desvergnes; Sandrine Py; Yannick Vallée","","Journal of Organic Chemistry","2005","70","","1459","1462","10.1021/jo048237r","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020074","6.102","0.002","9.911","0.004","30.75","0.01","90","","90","","90","","1859","1","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Takashi Sakai; Yu Liu; Hiroshi Ohta; Toshinobu Korenaga; Tadashi Ema","","Journal of Organic Chemistry","2005","70","","1369","1375","10.1021/jo048243n","","","0.7107","MoKα","","","0.0694","","","","0.1851","","","","","","1.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020075","5.6757","0.001","21.665","0.004","16.651","0.003","90","","94.057","0.003","90","","2042.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 S2 -","- C16 H10 O2 S2 -","- C96 H60 O12 S12 -","6","1.5","","Yasuo Miyata; Tohru Nishinaga; Koichi Komatsu","Synthesis and Structural, Electronic, and Optical Properties of Oligo(thienylfuran)s in Comparison with Oligothiophenes and Oligofurans","Journal of Organic Chemistry","2005","70","","1147","1153","10.1021/jo048282z","","","0.71073","MoKα","","0.1615","0.0852","","","0.2019","0.2264","","","","","","1.094","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020076","24.32","0.08","24.32","0.08","55.8","0.3","90","","90","","120","","28606","207","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C73 H80 Cl2 N2 O P2 Ru -","- C73 H72 Cl2 N2 O P2 Ru -","- C1314 H1296 Cl36 N36 O18 P36 Ru18 -","18","2","","Helen L. Ngo; Wenbin Lin","","Journal of Organic Chemistry","2005","70","","1177","1187","10.1021/jo048333s","","","0.71073","MoKα","","0.0932","0.0656","","","0.1416","0.1542","","","","","","1.086","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020077","5.8916","0.0004","8.8285","0.0005","26.731","0.0018","90","","90","","90","","1390.39","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 O2 -","- C14 H17 F3 O2 -","- C56 H68 F12 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0505","0.0475","","","0.1255","0.1293","","","","","","1.068","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020078","17.069","0.006","5.886","0.002","12.681","0.005","90","","102.407","0.003","90","","1244.3","0.8","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 F O2 -","- C13 H17 F O2 -","- C52 H68 F4 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0749","0.0598","","","0.1515","0.1696","","","","","","1.111","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020079","8.7951","0.0011","9.1204","0.0012","11.2495","0.0014","80.729","0.002","78.798","0.002","70.32","0.002","829","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Qinghai Zhang; Wei Xu; Xiyan Lu","","Journal of Organic Chemistry","2005","70","","1505","1507","10.1021/jo048414o","","","0.71073","MoKα","","0.0628","0.0476","","","0.1236","0.1317","","","","","","0.948","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020080","17.2682","0.0007","14.3146","0.0005","25.106","0.001","90","","90","","90","","6205.9","0.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C67.5 H77.25 N1.75 O12 -","- C67.5 H77.25 N1.75 O12 -","- C270 H309 N7 O48 -","4","1","","Anh Huu Tran; David O. Miller; Paris E. Georghiou","","Journal of Organic Chemistry","2005","70","","1115","1121","10.1021/jo0484427","","","0.71073","MoKα","","0.0476","0.0395","","","0.1053","0.111","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020081","6.435","0.005","6.853","0.005","12.112","0.005","90","0.005","103.75","0.005","90","0.005","518.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2R,3R)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2R,3R)-anti,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Agnese Abate; Elisabetta Brenna; Claudio Fuganti; Francesco G. Gatti; Tommaso Giovenzana; Luciana Malpezzi; Stefano Serra","","Journal of Organic Chemistry","2005","70","","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0473","0.04","","","0.117","0.1234","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020082","4.966","0.004","9.84","0.009","6.919","0.005","90","","107.73","0.03","90","","322.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4'-H~2~Bim","4,4'-Biimidazole","","- C6 H6 N4 -","- C6 H6 N4 -","- C12 H12 N8 -","2","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71069","MoKα","","0.0526","0.0382","","","0.084","0.089","","","","","","0.879","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020083","7.0007","0.0009","11.1965","0.0015","11.5453","0.0017","92.422","0.008","96.659","0.01","90.102","0.005","898","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","(4,4'-H~4~Bim)(TCNQ)~3~(H~2~O)~2~","Di-protonated 4,4'-Biimidazolium tetracyanoquinodimethide complex","","- C42 H24 N16 O2 -","- C42 H24 N16 O2 -","- C42 H24 N16 O2 -","1","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71075","MoKα","","0.1137","0.0594","","","0.1797","0.2243","","","","","","1.038","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020084","6.886","0.008","10.615","0.011","14.45","0.02","98.52","0.04","100.7","0.04","91.32","0.03","1025","2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","(4,4'-H~3~Bim)~2~(TCNQ)~3~","Mono-protonated 4,4'-biimidazolium tetracyanoquinodimethide complex","","- C48 H26 N20 -","- C48 H26 N20 -","- C48 H26 N20 -","1","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71075","MoKα","","0.0514","0.0401","","","0.1448","0.1569","","","","","","1.153","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020085","33.157","0.0006","8.369","0.0002","17.171","0.0004","90","","96.033","0.001","90","","4738.41","0.18","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C56 H54 O11 -","- C56 H54 O11 -","- C224 H216 O44 -","4","1","","Suvarn S. Kulkarni; Yi-Hung Liu; Shang-Cheng Hung","","Journal of Organic Chemistry","2005","70","","2808","2811","10.1021/jo047794a","","","0.71073","MoKα","","0.1441","0.093","","","0.2369","0.26","","","","","","1.593","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020086","6.5473","0.0002","10.862","0.0003","18.6055","0.0006","90","","90","","90","","1323.16","0.07","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1-Dibromo-2-(trans,trans-2-methoxy-1-methyl-3-phenylcyclopropyl)ethene","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C52 H56 Br8 O4 -","4","1","","Gottschling, Stephen E.; Grant, Tina N.; Milnes, Kaarina K.; Jennings, Michael, C.; Baines, Kim M.","Cyclopropyl Alkynes as Mechanistic Probes to Distinguish Between Vinyl Radical and Ionic Intermediates","Journal of Organic Chemistry","2005","70","","2686","2695","10.1021/jo047797n","","","0.71073","MoKα","","0.0788","0.0611","","","0.1403","0.1512","","","","","","1.073","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020087","10.7665","0.0003","11.2765","0.0003","7.9422","0.0002","90","","100.695","0.001","90","","947.5","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-bromo-3-phenylcyclopent-3-en-2-one","","- C11 H9 Br O -","- C11 H9 Br O -","- C44 H36 Br4 O4 -","4","1","","Gottschling, Stephen E.; Grant, Tina N.; Milnes, Kaarina K.; Jennings, Michael, C.; Baines, Kim M.","Cyclopropyl Alkynes as Mechanistic Probes to Distinguish Between Vinyl Radical and Ionic Intermediates","Journal of Organic Chemistry","2005","70","","2686","2695","10.1021/jo047797n","","","0.71073","MoKα","","0.0814","0.0475","","","0.1193","0.1344","","","","","","1.042","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020088","12.3996","0.0002","9.324","0.0001","33.224","0.0005","90","","95.5013","0.0004","90","","3823.46","0.09","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C184 H136 N24 O16 -","8","2","","Sun-Liang Cui; Xu-Feng Lin; Yan-Guang Wang","","Journal of Organic Chemistry","2005","70","","2866","2869","10.1021/jo047823h","","","0.7107","MoKα","","","0.051","","","","0.131","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020089","13.45","0.01","19.8","0.01","18.97","0.01","90","","93.82","0.03","90","","5039.6","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H36 Cl2 Rh2 -","- C40 H36 Cl2 Rh2 -","- C240 H216 Cl12 Rh12 -","6","3","","Yusuke Otomaru; Kazuhiro Okamoto; Ryo Shintani; Tamio Hayashi","","Journal of Organic Chemistry","2005","70","","2503","2508","10.1021/jo047831y","","","0.7107","MoKα","","","0.029","","","","0.043","","","","","","2.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020090","9.2462","0.0006","8.8456","0.0006","32.222","0.002","90","","90","","90","","2635.3","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,11-dicyclopropylpyrido[2,3-e]Bis[1,2,4]triazolo[4,3-a:3',4'-c]pyrazine","","- C15 H13 N7 -","- C15 H13 N7 -","- C120 H104 N56 -","8","1","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0726","0.0569","","","0.1302","0.1383","","","","","","1.136","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020091","9.9826","0.0009","14.2394","0.0013","15.8551","0.0014","100.842","0.001","106.831","0.001","97.898","0.001","2074.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-chloro-9-cyclopropylpyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine","","- C11 H8 Cl N5 -","- C11 H8 Cl N5 -","- C88 H64 Cl8 N40 -","8","4","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0932","0.0629","","","0.1224","0.1341","","","","","","1.059","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020092","7.545","0.002","17.79","0.006","8.415","0.003","90","","91.146","0.009","90","","1129.3","0.6","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 F3 N O3 -","- C9 H14 F3 N O3 -","- C36 H56 F12 N4 O12 -","4","1","","Gary A. Molander; Elizabeth Pollina Cormier","","Journal of Organic Chemistry","2005","70","","2622","2626","10.1021/jo047887s","","","0.71069","MoKα","","0.0663","0.0558","","","0.1499","0.1622","","","","","","1.1","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020093","6.7547","0.0009","7.2224","0.0009","34.039","0.004","90","","95.258","0.006","90","","1653.6","0.4","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","","Gary A. Molander; Elizabeth Pollina Cormier","","Journal of Organic Chemistry","2005","70","","2622","2626","10.1021/jo047887s","","","0.71069","MoKα","","0.1106","0.0796","","","0.2005","0.2234","","","","","","1.064","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020094","8.101","0.006","9.767","0.007","18.669","0.013","90","","90","","90","","1477.3","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O2 -","- C16 H17 Br O2 -","- C64 H68 Br4 O8 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang; Shimin Zhao","","Journal of Organic Chemistry","2005","70","","2568","2575","10.1021/jo0480038","","","0.71073","MoKα","","0.0711","0.0376","","","0.0663","0.0717","","","","","","0.772","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020095","10.1964","0.0007","14.2476","0.0009","18.0359","0.0011","90","","91.374","0.004","90","","2619.4","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(2-methylphenyl)-1,2-bis(4-carbmethoxyphenyl)- 1,2-ethanediol","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","0.5","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","1.54178","CuKα","","0.0599","0.0483","","","0.1331","0.1411","","","","","","1.053","","","","has coordinates","270065","2021-10-23","05:09:20",""
"4020096","8.0922","0.0009","8.6918","0.0009","10.0834","0.001","111.314","0.002","91.303","0.002","108.706","0.002","617.96","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)benzoic acid methyl ester","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","0.71073","MoKα","","0.0639","0.0469","","","0.1073","0.1145","","","","","","1.032","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020097","7.727","0.0004","9.1842","0.0005","11.0217","0.0005","112.124","0.001","109.389","0.001","91.253","0.001","673.76","0.06","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","2-(2-formyl-benzyl)benzoic acid methyl ester","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","0.71073","MoKα","","0.0534","0.0382","","","0.0994","0.1108","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020098","28.868","0.013","7.868","0.003","6.302","0.003","90","","90","","90","","1431.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C56 H88 Cl4 N4 O4 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang","","Journal of Organic Chemistry","2005","70","","2588","2593","10.1021/jo0480996","","","0.71073","MoKα","","0.0879","0.0764","","","0.2031","0.2143","","","","","","1.053","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020099","8.664","0.0016","9.292","0.0017","9.9179","0.0019","104.905","0.003","103.761","0.003","101.298","0.003","720.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O -","- C16 H18 Cl N O -","- C32 H36 Cl2 N2 O2 -","2","1","","Shengming Ma; Bin Wu; Xuefeng Jiang","","Journal of Organic Chemistry","2005","70","","2588","2593","10.1021/jo0480996","","","0.71073","MoKα","","0.0921","0.0508","","","0.0927","0.105","","","","","","0.828","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020100","21.3129","0.0003","31.6796","0.0005","7.7621","0.0001","90","","90","","90","","5240.8","0.1","296.2","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H26 N6 O S -","- C30 H26 N6 O S -","- C240 H208 N48 O8 S8 -","8","1","","Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao","","Journal of Organic Chemistry","2005","70","","2754","2762","10.1021/jo048324j","","","0.7107","MoKα","","","0.0546","","","","0.1804","","","","","","0.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020101","6.2277","0.0005","19.004","0.002","21.034","0.002","90","","93.283","0.002","90","","2485.4","0.3","277.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N6 -","- C32 H26 N6 -","- C128 H104 N24 -","4","1","","Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao","","Journal of Organic Chemistry","2005","70","","2754","2762","10.1021/jo048324j","","","0.7107","MoKα","","","0.0658","","","","0.1941","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020102","15.87156","0.00003","11.15139","0.00004","15.78242","0.00001","90","","135.908","0.0002","90","","1943.64","0.008","173","1","173","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.71069","MoKα","","0.1101","0.0812","","","0.1597","0.1713","","","","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020103","12.9713","0.0009","9.9393","0.0007","16.472","0.001","90","","95.578","0.002","90","","2113.7","0.2","173.2","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C31 H18 -","- C31 H18 -","- C124 H72 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.7107","MoKα","","","0.0553","","","","0.1407","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020104","7.411","0.003","10.466","0.004","11.746","0.005","116.09","0.03","104.12","0.04","92.52","0.03","781.5","0.5","120","1","120","1","","","","","","","","2","P 1","P 1","1","","","","- C49 H26 -","- C49 H26 -","- C49 H26 -","1","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.71075","MoKα","","0.129","0.0826","","","0.2003","0.2269","","","","","","1.044","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020105","5.9175","","17.806","0.0001","15.1418","0.0001","90","","93.1104","0.0006","90","","1593.11","0.02","173.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 O -","- C24 H12 O -","- C96 H48 O4 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.7107","MoKα","","","0.0406","","","","0.1003","","","","","","0.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020106","8.9492","0.0012","22.822","0.003","13.7252","0.0018","90","","102.24","0.003","90","","2739.5","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N S2 -","- C35 H27 N S2 -","- C140 H108 N4 S8 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.1764","0.0578","","","0.0906","0.1162","","","","","","0.699","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020107","7.5426","0.001","12.0543","0.0015","22.414","0.003","90","","90.244","0.003","90","","2037.9","0.4","295","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N -","- C28 H23 N -","- C112 H92 N4 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.2021","0.056","","","0.0757","0.0998","","","","","","0.728","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020108","10.5425","0.0007","11.792","0.0005","19.307","0.002","88.382","0.006","80.163","0.007","71.376","0.005","2240.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 Cl2 N2 -","- C56 H43 N2 -","- C112 H86 N4 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","1.5418","CuKα","","0.0971","0.0788","","","0.2301","0.2478","","","","","","0.981","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020109","7.484","0.002","12.286","0.004","16.015","0.005","101.624","0.007","91.596","0.006","101.812","0.007","1408.1","0.7","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.2128","0.0712","","","0.1252","0.1673","","","","","","0.747","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020110","10.014","0.003","11.776","0.003","12.422","0.003","93.439","0.006","103.626","0.005","91.543","0.006","1419.8","0.6","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.146","0.0531","","","0.0803","0.1008","","","","","","0.766","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020111","8.099","0.002","13.782","0.004","25.681","0.007","90","","95.354","0.006","90","","2854","1.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 N -","- C40 H31 N -","- C160 H124 N4 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.23","0.057","","","0.0837","0.1187","","","","","","0.703","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020112","11.1642","0.0015","11.6529","0.0016","12.7118","0.0017","82.228","0.003","67.199","0.003","70.834","0.003","1440","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.1111","0.0477","","","0.0705","0.0837","","","","","","0.782","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020113","11.145","0.003","22.855","0.007","10.089","0.004","90","","90","","90","","2569.9","1.4","298","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","(aS,S)-piperidinomethylpyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C116 N8 O4 P4 -","4","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.051","0.048","","0.261","0.261","0.261","","","0.753","0.596","0.596","0.596","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020114","15.889","0.005","13.899","0.006","10.271","0.003","90","","99.75","0.03","90","","2235.4","1.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","3-Bromo-N-(2-diPhPO-6-MeOphenyl)piperidine","","","- C24 H25 Br N O2 P -","- C24 Br N O2 P -","- C96 Br4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.05","0.048","","0.178","0.177","0.177","","","0.779","0.718","0.718","0.718","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020115","15.852","0.005","13.838","0.006","10.219","0.003","90","","99.95","0.02","90","","2207.8","1.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-Chlorpiperidine","","","- C24 H25 Cl N O2 P -","- C24 Cl N O2 P -","- C96 Cl4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","","CuKα","","0.045","0.041","","0.193","0.192","0.192","","","0.899","0.649","0.649","0.649","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020116","15.407","0.005","6.635","0.003","13.278","0.005","90","","99.97","0.03","90","","1337","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(sR,S)pyperidinopyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C58 N4 O2 P2 -","2","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.06","0.052","","0.186","0.186","0.186","","","0.782","0.552","0.552","0.552","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020117","4.6416","0.0004","15.0604","0.0011","20.9786","0.0014","92.323","0.003","93.095","0.003","98.4404","0.0016","1446.75","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","H2salamo","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.07","0.0453","","","0.1099","0.1213","","","","","","1.054","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020118","4.694","0.004","14.616","0.006","12.356","0.004","90","","98.065","0.003","90","","839.3","0.9","120","2","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H2(3-MeOsalamo)","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.2089","0.0816","","","0.1696","0.233","","","","","","0.979","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020119","33.113","0.005","16.85","0.003","12.654","0.002","90","","110.583","0.003","90","","6609.3","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H2(3,5-tBu2salamo)","","","- C32 H48.5 N2 O4.25 -","- C32 H48 N2 O4.25 -","- C256 H384 N16 O34 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.1138","0.0716","","","0.1515","0.1747","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020120","15.272","0.012","4.628","0.003","23.257","0.018","90","","104.485","0.011","90","","1591","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","monomethoxy H2salamo","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.1135","0.0749","","","0.1687","0.19","","","","","","1.054","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020121","8.9309","0.0008","11.7081","0.001","11.941","0.001","78.59","0.002","73.669","0.002","86.681","0.002","1174.54","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C54 H54 N2 O8 S2 -","2","1","","Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang","","Journal of Organic Chemistry","2005","70","","1780","1785","10.1021/jo048073e","","","0.71073","MoKα","","0.063","0.0462","","","0.1386","0.1531","","","","","","1.062","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020122","7.2994","0.0005","14.3444","0.0009","20.455","0.0013","90","","90","","90","","2141.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang","","Journal of Organic Chemistry","2005","70","","1780","1785","10.1021/jo048073e","","","0.71073","MoKα","","0.0503","0.0371","","","0.0879","0.0955","","","","","","1.074","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020123","8.2004","0.0001","22.606","0.0005","8.5199","0.0001","90","","117.599","0.001","90","","1399.69","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0564","0.0496","","","0.1262","0.1316","","","","","","1.075","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020124","9.5717","0.0004","8.288","0.0003","18.8257","0.0008","90","","92.399","0.002","90","","1492.14","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.1142","0.0488","","","0.1003","0.1206","","","","","","0.948","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020125","11.1017","0.0003","11.9013","0.0004","24.0165","0.0007","90","","101.88","0.002","90","","3105.21","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.058","0.0405","","","0.0915","0.1002","","","","","","1.047","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020126","10.5641","0.0003","15.7433","0.0005","8.3622","0.0002","90","","90","","90","","1390.75","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0453","0.0352","","","0.0765","0.0806","","","","","","1.038","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020127","11.3938","0.0004","14.0951","0.0006","9.4791","0.0004","90","","92.901","0.002","90","","1520.36","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0689","0.0432","","","0.0977","0.1098","","","","","","1.027","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020128","14.6421","0.0005","7.4495","0.0004","14.4893","0.0007","90","","116.974","0.002","90","","1408.51","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.087","0.0441","","","0.0945","0.1111","","","","","","0.992","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020129","10.2478","0.0003","10.1404","0.0002","12.6013","0.0003","90","","95.208","0.001","90","","1304.08","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0472","0.0382","","","0.0931","0.0993","","","","","","1.034","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020130","10.15","0.0002","8.3473","0.0002","16.6953","0.0004","90","","92.633","0.001","90","","1413.02","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0543","0.0464","","","0.1098","0.1152","","","","","","1.026","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020131","6.1921","0.0001","15.5228","0.0003","14.087","0.0003","90","","99.315","0.001","90","","1336.17","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0624","0.0497","","","0.1173","0.1274","","","","","","1.046","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020132","4.919","0.005","7.728","0.007","12.222","0.012","75.244","0.016","83.76","0.017","78.475","0.017","439.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 I N O -","- C7 H12 I N O -","- C14 H24 I2 N2 O2 -","2","1","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.046","0.043","","","0.1082","0.1105","","","","","","1.103","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020133","8.607","0.003","9.146","0.003","15.608","0.002","90","","90.8","0.02","90","","1228.5","0.6","20","","193","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","?","- C312 H378 Cl46 N32 O96 P8 Si8 -","- C312 H378 Cl46 N32 O96 P8 Si8 -","","","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00",""
"4020134","26.465","0.0013","9.6298","0.0005","21.3983","0.0011","90","","105.37","0.001","90","","5258.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N O5 -","- C29 H31.5 N O5 -","- C232 H252 N8 O40 -","8","2","","Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer","","Journal of Organic Chemistry","2005","70","","1745","1753","10.1021/jo0481607","","","0.71073","MoKα","","0.1235","0.0718","","","0.1676","0.1877","","","","","","1.088","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020135","15.4047","0.0009","8.272","0.0005","15.9411","0.0009","90","","90","","90","","2031.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer","","Journal of Organic Chemistry","2005","70","","1745","1753","10.1021/jo0481607","","","0.71073","MoKα","","0.1158","0.0704","","","0.1252","0.1393","","","","","","1.089","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020136","31.545","0.005","6.9687","0.001","11.2953","0.0017","90","","94.753","0.003","90","","2474.5","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.5 H28 Cl N O3 -","- C29.5 H28 Cl N O3 -","- C118 H112 Cl4 N4 O12 -","4","1","","Yong-Gui Zhou; Peng-Yu Yang; Xiu-Wen Han","","Journal of Organic Chemistry","2005","70","","1679","1683","10.1021/jo048212s","","","0.71073","MoKα","","0.1198","0.0711","","","0.1675","0.198","","","","","","0.888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020137","19.0391","0.0012","11.1986","0.0007","23.9408","0.0015","90","","95.338","0.003","90","","5082.3","0.6","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C101 H132 N4 O44 -","- C101 H132 N4 O44 -","- C202 H264 N8 O88 -","2","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.1029","0.0847","","","0.2246","0.2396","","","","","","1.048","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020138","10.265","0.001","11.501","0.004","20.442","0.005","90","","90","","90","","2413.3","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 N O5 -","- C29 H35 N O5 -","- C116 H140 N4 O20 -","4","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.0634","0.0501","","","0.1334","0.1474","","","","","","1.032","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020139","11.5806","0.0002","22.8486","0.0004","12.1009","0.0002","90","","113.623","0.001","90","","2933.59","0.09","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H83 Cl2 N5 O2 S2 -","- C60 H83 Cl2 N5 O2 S2 -","- C120 H166 Cl4 N10 O4 S4 -","2","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.0988","0.0507","","","0.0909","0.1074","","","","","","0.986","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020140","15.1902","0.0005","18.6941","0.0006","20.9059","0.0008","90","","98.979","0.002","90","","5863.8","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H82 Cl5 N5 O S2 -","- C52 H78 Cl N5 O S2 -","- C208 H312 Cl4 N20 O4 S8 -","4","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1892","0.0956","","","0.1495","0.1583","","","","","","1.727","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020141","10.4748","0.0002","13.6047","0.0002","13.2513","0.0002","90","","92.435","0.001","90","","1886.69","0.05","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Cl4 N4 O S -","- C38 H44 Cl4 N4 O S -","- C76 H88 Cl8 N8 O2 S2 -","2","0.5","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1085","0.0467","","","0.1002","0.117","","","","","","1.044","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020142","12.022","0.0002","14.461","0.0002","17.705","0.0003","70.801","0.0009","88.999","0.0008","72.493","0.0008","2760.82","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H81 Cl2 N5 O2 S2 -","- C55 H79 Cl2 N5 O2 S2 -","- C110 H158 Cl4 N10 O4 S4 -","2","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1929","0.0754","","","0.1271","0.1416","","","","","","1.607","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020143","16.469","0.003","9.1484","0.0016","25.911","0.004","90","","106.831","0.004","90","","3736.6","1.1","223","2","223","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 -","- C53 H46 -","- C212 H184 -","4","1","","Michael J. Marsella; Kunsang Yoon; Samia Estassi; Fook S. Tham; Dan B. Borchardt; Binh H. Bui; Peter R. Schreiner","","Journal of Organic Chemistry","2005","70","","1881","1884","10.1021/jo0485132","","","0.71073","MoKα","","0.0868","0.0623","","","0.158","0.1788","","","","","","1.041","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020144","7.38","0.004","13.236","0.007","11.185","0.006","90","","90.073","0.009","90","","1092.5","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B F2 N2 -","- C9 H17 B F2 N2 -","- C36 H68 B4 F8 N8 -","4","1","","Kyung-Ho Park; Will J. Marshall","","Journal of Organic Chemistry","2005","70","","2075","2081","10.1021/jo047798f","","","0.71069","MoKα","","0.1131","0.0724","","","0.2046","0.2318","","","","","","1.071","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020145","7.2817","0.0007","11.9407","0.0011","12.571","0.0012","90","","96.115","0.002","90","","1086.81","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl N -","- C4 H8 Cl N -","- C32 H64 Cl8 N8 -","8","2","","Kyung-Ho Park; Will J. Marshall","","Journal of Organic Chemistry","2005","70","","2075","2081","10.1021/jo047798f","","","0.71073","MoKα","","0.0272","0.0244","","","0.0656","0.0675","","","","","","1.039","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020146","16.1895","0.0013","10.3998","0.0009","21.2941","0.0018","90","","92.68","0.002","90","","3581.3","0.5","187","2","187","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.0774","0.052","","","0.1228","0.1309","","","","","","1.074","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020147","10.8531","0.0014","12.2879","0.0016","14.4533","0.0019","108.655","0.003","90.794","0.003","91.44","0.003","1825.2","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Mono-cp3","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene-N-mono-oxide","","- C52 H38 N2 O -","- C52 H38 N2 O -","- C104 H76 N4 O2 -","2","1","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.1614","0.0785","","","0.1789","0.206","","","","","","0.954","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020148","13.8017","0.0012","11.308","0.001","15.029","0.0014","90","","113.116","0.002","90","","2157.2","0.3","187","2","187","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene N,N-dioxides","","- C54 H42 Cl4 N2 O2 -","- C54 H42 Cl4 N2 O2 -","- C108 H84 Cl8 N4 O4 -","2","0.5","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.0954","0.0619","","","0.1789","0.1958","","","","","","1.103","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020149","14.3227","0.0004","11.6876","0.0003","26.106","0.0008","90","","102.836","0.001","90","","4260.9","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-Ferrocenylsulfonyl-8-[(4-methylphenyl)sulfonyl]-5- [(4-vinylphenyl)sulfonyl]-2,5,8-triazatrindane","","- C38.5 H35 Cl2.77 Fe N3 O6 S3 -","- C38.5 H35 Cl2.76 Fe N3 O6 S3 -","- C154 H140 Cl11.04 Fe4 N12 O24 S12 -","4","1","","González, Ivan; Pla-Quintana, Anna; Roglans, Anna; Torrent, Anna; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Transition Metal-Mediated Intramolecular [2+2+2] Cycloadditions of Cyclic Triynes and Enediynes","Journal of Organic Chemistry","2005","70","","2033","2041","10.1021/jo048056p","","","0.71073","MoKα","","0.1214","0.069","","","0.1676","0.204","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020150","9.838","0.002","11.258","0.002","17.227","0.003","90","","106.15","0.03","90","","1832.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Di-tert-butyl-2,5-dioxo-imidazolidin-4-yl)-3,3,3-trifluoro-propionic acid ethyl ester","","- C16 H25 F3 N2 O4 -","- C16 H25 F3 N2 O4 -","- C64 H100 F12 N8 O16 -","4","1","","A.Volonterio; C. Ramirez de Arellano; M. Zanda","Synthesis of 1,3,5-trisubstituted hydantoins by regiospecific domino condensation/aza-Michael/O-N acyl migration of carbodiimides with activated α,β-carboxylic acids","Journal of Organic Chemistry","2005","70","","2161","2170","10.1021/jo0480848","","","0.71073","MoKα","","0.0514","0.0404","","","0.1056","0.1123","","","","","","1.025","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020151","19.684","0.004","5.4468","0.0011","20.36","0.004","90","","118.43","0.03","90","","1919.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-(4-methoxy-phenyl)-5-(2,2,2-trifluoro-1-trifluoromethyl-ethyl) -imidazolidine-2,4-dione","","- C20 H16 F6 N2 O3 -","- C20 H16 F6 N2 O3 -","- C80 H64 F24 N8 O12 -","4","1","","A.Volonterio; C. Ramirez de Arellano; M. Zanda","Synthesis of 1,3,5-trisubstituted hydantoins by regiospecific domino condensation/aza-Michael/O-N acyl migration of carbodiimides with activated α,β-carboxylic acids","Journal of Organic Chemistry","2005","70","","2161","2170","10.1021/jo0480848","","","0.71073","MoKα","","0.0517","0.0353","","","0.083","0.0902","","","","","","1.026","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020152","12.3045","0.0006","15.9117","0.0007","24.1391","0.0012","90","","90","","90","","4726.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B2 F6 N2 -","- C20 H38 B2 F6 N2 -","- C160 H304 B16 F48 N16 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0651","0.0405","","","0.0876","0.0982","","","","","","1.009","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020153","7.8196","0.0009","11.4374","0.0012","19.142","0.002","90","","90","","90","","1712","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F3 N -","- C17 H25 B F3 N -","- C68 H100 B4 F12 N4 -","4","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0673","0.0432","","","0.0924","0.1043","","","","","","0.971","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020154","8.1041","0.0007","10.5248","0.0008","10.7006","0.0009","102.898","0.002","95.855","0.002","107.391","0.002","834.92","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0564","0.0436","","","0.1126","0.1198","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020155","12.3939","0.0013","13.7953","0.0014","14.2655","0.0015","107.587","0.002","113.209","0.003","90.358","0.003","2114.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 Cl N -","- C21 H36 Cl N -","- C84 H144 Cl4 N4 -","4","2","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0857","0.0518","","","0.1097","0.1223","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020156","10.6045","0.001","11.0631","0.001","19.7482","0.0019","90","","90","","90","","2316.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B F3 N -","- C10 H19 B F3 N -","- C80 H152 B8 F24 N8 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0536","0.0419","","","0.0992","0.105","","","","","","1.118","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020157","7.94","0.002","15.739","0.004","13.357","0.003","90","","105.846","0.004","90","","1605.7","0.6","296.2","","296.2","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl N4 Pd -","- C16 H17 Cl N4 Pd -","- C64 H68 Cl4 N16 Pd4 -","4","1","","Takashi Mino; Yoshiaki Shirae; Masami Sakamoto; Tsutomu Fujita","","Journal of Organic Chemistry","2005","70","","2191","2194","10.1021/jo048107i","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020158","5.63","0.0003","9.508","0.0005","9.74","0.001","100.476","0.006","99.667","0.006","104.537","0.004","483.63","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-((-Nitromethyl)-1,6,7,7a-tetrahydro-3a,6-epoxy-2-benzothiophene","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","1","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.0394","0.0351","","","0.0857","0.0897","","","","","","1.046","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020159","8.167","0.0013","10.762","0.0012","11.823","0.002","103.069","0.013","95.201","0.018","89.954","0.011","1007.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-((-Nitromethyl)-4,4a,5,6-tetrahydro-3H-6,8a,7,8-diepoxyisochromene","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C40 H52 N4 O20 -","4","2","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.0694","0.0374","","","0.0941","0.107","","","","","","1.015","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020160","8.528","0.001","10.67","0.0007","16.31","0.001","90","","103.067","0.007","90","","1445.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5R,6R)-1,3,3a,4,5,6-Hexahydro-1-(nitromethyl) isobenzofuran-5,6-diacetate","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.1076","0.045","","","0.1037","0.124","","","","","","0.995","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020161","30.727","0.004","8.2906","0.001","29.838","0.004","90","","104.767","0.002","90","","7350","1.5","130","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 N O4.5 S Si2 -","- C32 H60 N O4.5 S Si2 -","- C256 H480 N8 O36 S8 Si16 -","8","1","","Kathryn Hassall; Sofia Lobachevsky; Jonathan M. White","","Journal of Organic Chemistry","2005","70","","1993","1997","10.1021/jo048384p","","","0.71073","MoKα","","0.0854","0.0491","","","0.0908","0.0987","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020162","8.2494","0.0012","10.7414","0.0016","12.6185","0.0018","83.686","0.002","75.608","0.002","70.555","0.002","1020.8","0.3","130","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H30 F3 N O3 S Si -","- C17 H30 F3 N O3 S Si -","- C34 H60 F6 N2 O6 S2 Si2 -","2","1","","Kathryn Hassall; Sofia Lobachevsky; Jonathan M. White","","Journal of Organic Chemistry","2005","70","","1993","1997","10.1021/jo048384p","","","0.71073","MoKα","","0.0454","0.04","","","0.1065","0.1104","","","","","","1.04","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020163","10.159","0.001","11.094","0.001","17.907","0.001","90","0.003","90","0.003","90","0.003","2018.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,E,SS)-Trimethyl-[2-(2-tert-butoxycarbonylamino-2- methoxycarbonylethylsulfinyl)vinyl]silane","","- C14 H27 N O5 S Si -","- C14 H27 N O5 S Si -","- C56 H108 N4 O20 S4 Si4 -","4","1","","Maria C. Aversa; Anna Barattucci; Paola Bonaccorsi; Placido Giannetto","L-Cysteine, a Versatile Source of Sulfenic Acids. Synthesis of Enantiopure Alliin analogues","Journal of Organic Chemistry","2005","70","","1986","1992","10.1021/jo048662k","","","1.54178","CuKα","","0.0707","0.0623","","","0.1367","0.1405","","","","","","1.171","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020164","34.3241","0.0015","18.0281","0.0008","18.0481","0.0008","90","","90","","90","","11168.1","0.9","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C128 H134 N4 O25 Pd -","- C128 H134 N4 O25 Pd -","- C512 H536 N16 O100 Pd4 -","4","1","","Olga S. Finikova; Sergei E. Aleshchenkov; Raymond P. Brinas; Andrei V. Cheprakov; Patrick J. Carroll; Sergei A. Vinogradov","","Journal of Organic Chemistry","2005","70","","4617","4628","10.1021/jo047741t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020165","8.872","0.003","17.86","0.007","10.311","0.004","90","","94.796","0.006","90","","1628.1","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O3 Sn -","- C37 H41 N O3 Sn -","- C74 H82 N2 O6 Sn2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020166","5.4049","0.0019","8.413","0.003","17.658","0.006","90","","92.23","0.006","90","","802.3","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O2 S -","- C15 H20 N4 O2 S -","- C30 H40 N8 O4 S2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020167","8.87","0.002","5.2473","0.0014","21.735","0.006","90","","97.428","0.006","90","","1003.1","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020168","6.4713","0.0018","27.311","0.007","14.938","0.004","90","","90.22","0.005","90","","2640","1.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H68 Br2 N2 O10 -","- C54 H68 Br2 N2 O10 -","- C108 H136 Br4 N4 O20 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020169","8.5839","0.0016","14.514","0.003","30.157","0.006","90","","90","","90","","3757.3","1.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H45 Br N2 O4 S -","- C40 H45 Br N2 O4 S -","- C160 H180 Br4 N8 O16 S4 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020170","6.419","0.0011","17.531","0.003","22.374","0.004","90","","90","","90","","2517.8","0.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020171","5.554","0.003","10.954","0.005","20.878","0.009","90","","90","","90","","1270.2","1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Br O2 -","- C14 H17 Br O2 -","- C56 H68 Br4 O8 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020172","15.123","0.003","12.592","0.003","25.895","0.005","90","","94.988","0.003","90","","4912.4","1.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H32 Br N O3 -","- C26 H32 Br N O3 -","- C208 H256 Br8 N8 O24 -","8","2","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020173","6.149","0.002","24.262","0.008","16.606","0.005","90","","99.24","0.006","90","","2445.3","1.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020174","7.623","0.003","6.294","0.003","15.896","0.006","90","","100.643","0.007","90","","749.6","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C30 H36 Br2 N2 O6 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020175","12.374","0.007","6.317","0.004","18.86","0.011","90","","94.881","0.01","90","","1468.8","1.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 Br N O5 -","- C30 H38 Br N O5 -","- C60 H76 Br2 N2 O10 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020176","13.251","0.001","17.85","0.002","7.369","0.001","90","","92.1","0.01","90","","1741.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Br F3 N4 O2 -","- C17 H10 Br F3 N4 O2 -","- C68 H40 Br4 F12 N16 O8 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Gabriella Macaluso; Nicolò Vivona; Domenico Spinelli; Gianluca Giorgi","","Journal of Organic Chemistry","2005","70","","3288","3291","10.1021/jo047766s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020177","7.9132","0.0012","9.9342","0.0016","10.9874","0.0018","109.281","0.003","97.029","0.003","107.275","0.003","754.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl2 F2 N O4 -","- C13 H13 Cl2 F2 N O4 -","- C26 H26 Cl4 F4 N2 O8 -","2","1","","Fu-Lu Zhao; Jin-Tao Liu","","Journal of Organic Chemistry","2005","70","","3801","3805","10.1021/jo0477852","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020178","9.287","0.0002","9.393","0.0002","10.735","0.0003","81.726","0.001","72.983","0.001","71.805","0.002","849.25","0.03","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su","","Journal of Organic Chemistry","2005","70","","4460","4469","10.1021/jo0477953","","","","","","","0.0483","","","0.1278","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020179","9.204","0.0002","9.325","0.0002","11.096","0.0003","72.871","0.002","80.424","0.001","71.413","0.001","859.86","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su","","Journal of Organic Chemistry","2005","70","","4460","4469","10.1021/jo0477953","","","","","","","0.0451","","","0.1232","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020180","14.2335","0.0003","7.2938","0.0007","18.4191","0.0009","90","","90","","90","","1912.2","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","Man-kit Leung; M. Balaji Viswanath; Pi-Tai Chou; Shih-Chieh Pu; Hsin-Chieh Lin; Bih-Yaw Jin","","Journal of Organic Chemistry","2005","70","","3560","3568","10.1021/jo047802n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020181","5.4679","0.0004","10.7485","0.0008","11.6878","0.0008","89.132","0.001","81.738","0.001","82.582","0.001","674.09","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 F6 O2 Sb -","- C10 H13 F6 O2 Sb -","- C20 H26 F12 O4 Sb2 -","2","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020182","11.9578","0.0008","8.3099","0.0006","12.325","0.0008","90","","106.164","0.001","90","","1176.3","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 F6 O2 Sb -","- C8 H9 F6 O2 Sb -","- C32 H36 F24 O8 Sb4 -","4","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020183","23.943","0.002","8.1333","0.0007","12.6599","0.0011","90","","105.33","0.004","90","","2377.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 F6 O2 Sb -","- C6 H13 F6 O2 Sb -","- C48 H104 F48 O16 Sb8 -","8","2","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020184","6.7427","0.0005","8.3135","0.0006","10.9042","0.0008","100.161","0.002","95.705","0.002","108.593","0.002","562.26","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 F8 O2 Sb -","- C7 H5 F8 O2 Sb -","- C14 H10 F16 O4 Sb2 -","2","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020185","8.2975","0.0007","11.5995","0.0011","21.6279","0.0019","90","","90","","90","","2081.6","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 As F8 O2 -","- C7 H5 As F8 O2 -","- C56 H40 As8 F64 O16 -","8","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020186","7.6413","0.0005","19.59","0.0012","12.4123","0.0008","90","","102.162","0.001","90","","1816.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 As F6 O4 -","- C16 H17 As F6 O4 -","- C64 H68 As4 F24 O16 -","4","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020187","5.697","0.001","14.758","0.015","18.239","0.011","90","","98.58","0.05","90","","1516.3","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 O7 S -","- C12 H22 O7 S -","- C48 H88 O28 S4 -","4","2","","Alibés, Ramón; Blanco, Pilar; Casas, Eva; Closa, Montserrat; de March, Pedro; Figueredo, Marta; Font, Josep; Sanfeliu, Elena; Alvarez-Larena, Angel","Asymmetric Synthesis of the Azabicyclic Core of the Stemona Alkaloids","Journal of Organic Chemistry","2005","70","","3157","3167","10.1021/jo047867q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020188","22.1109","0.0004","6.9308","0.0001","22.1109","0.0004","90","","95.128","0.001","90","","3374.85","0.1","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020189","8.5729","0.0004","9.3557","0.0004","13.7085","0.0006","107.284","0.001","99.774","0.001","102.644","0.001","991.32","0.08","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O3 -","- C26 H17 N O3 -","- C52 H34 N2 O6 -","2","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020190","17.615","0.004","9.153","0.0018","15.264","0.003","90","","92.83","0.03","90","","2458","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O7 -","- C29 H22 N2 O7 -","- C116 H88 N8 O28 -","4","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020191","9.0982","0.0001","23.0174","0.0001","11.7352","0.0002","90","","96.273","0.001","90","","2442.83","0.05","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O6 -","- C28 H19 Br N2 O6 -","- C112 H76 Br4 N8 O24 -","4","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020192","11.253","0.0014","6.0225","0.0007","14.1891","0.0018","90","","95.661","0.003","90","","956.9","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020193","10.0857","0.0007","15.8359","0.0011","17.7444","0.0014","90","","90","","90","","2834.1","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020194","15.6234","0.0013","10.6788","0.0009","18.9084","0.0016","90","","97.854","0.002","90","","3125.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","thiacyclophanes","","","- C37 H30 O2 S2 -","- C37 H30 O2 S2 -","- C148 H120 O8 S8 -","4","2","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020195","11.692","0.001","5.268","0.003","15.011","0.004","90","","108.56","0.02","90","","876.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","thiacyclophanes","","","- C18 H20 S4 -","- C18 H20 S4 -","- C36 H40 S8 -","2","0.5","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020196","8.426","0.001","9.219","0.003","16.82","0.004","82.93","0.03","104.02","0.02","108.97","0.02","1197.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 S4 -","- C22 H28 O4 S4 -","- C44 H56 O8 S8 -","2","1","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","7,16,19,22-Tetramethoxy-1,3,10,12-Tetrathiatricyclo[14.2.2.2^19,20^] Docosa 5, 7,14,16,19,21-Hexane","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4020197","9.109","0.002","10.048","0.006","13.347","0.005","97.39","0.04","90.96","0.03","103.47","0.03","1176.8","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 S4 -","- C22 H28 O4 S4 -","- C44 H56 O8 S8 -","2","1","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","7,15,19,22-Tetramethoxy-1,3,10,12-Tetrathiatricyclo[14.2.2.2^19,20^] Docosa 5, 7,14,16,19,21-Hexane","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4020198","25.6814","0.0005","6.0774","0.0001","3.8911","0.0001","90","","90","","90","","607.31","0.02","120","1","120","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C32 H16 S6 -","2","0.5","","Wex, Brigitte; Kaafarani B. R.; Kirschbaum, Kristin; Neckers, Douglas, C.","","Journal of Organic Chemistry","2005","70","","4502","4505","10.1021/jo048010w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020199","12.2959","0.0002","5.8414","0.0001","35.8324","0.0007","90","","90","0.03","90","","2573.67","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br N2 O3 -","- C14 H11 Br N2 O3 -","- C112 H88 Br8 N16 O24 -","8","2","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020200","11.5904","0.0004","5.7419","0.0002","16.1679","0.0007","90","","106.644","0.0013","90","","1030.91","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C40 H28 Br4 N8 O8 -","4","1","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020201","5.9611","0.0002","7.5339","0.0002","11.4495","0.0004","76.697","0.002","77.861","0.002","85.168","0.002","488.87","0.03","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C20 H14 Br2 N4 O4 -","2","1","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020202","32.547","0.005","32.547","0.005","12.972","0.003","90","","90","","120","","11900","5","293","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H32 N4 O7 -","- C23 H32 N4 O7 -","- C414 H576 N72 O126 -","18","1","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020203","7.8536","0.0001","12.4334","0.0002","19.9054","0.0004","90","","96.84","0.001","90","","1929.87","0.06","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O7 -","- C18 H19 N3 O7 -","- C72 H76 N12 O28 -","4","1","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020204","10.8538","0.0002","11.2617","0.0002","18.0806","0.0003","84.9176","0.0008","86.9092","0.0007","73.4702","0.0007","2109.41","0.06","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","2","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4020205","10.958","0.002","16.203","0.003","9.101","0.002","90","","91.3","0.03","90","","1615.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Wei-Dong Z. Li; Bao-Chun Ma","","Journal of Organic Chemistry","2005","70","","3277","3280","10.1021/jo048046o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020206","21.67","0.002","21.67","0.002","23.534","0.002","90","","90","","120","","9570.3","1.5","100","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H120 Cl20 N26 Na7 O72 -","- C60 H120 Cl20 N26 Na7 O72 -","- C180 H360 Cl60 N78 Na21 O216 -","3","0.166667","","Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Lucia Borsari; Claudia Giorgi; Barbara Valtancoli; Carmen Anda; Antoni Llobet","","Journal of Organic Chemistry","2005","70","","4257","4266","10.1021/jo048142p","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020207","18.885","0.0015","10.3754","0.0008","16.7388","0.0014","90","","123.789","0.001","90","","2725.8","0.4","187","2","187","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dipq","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","0.5","","Gilbert E. Tumambac; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2930","2938","10.1021/jo048399n","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020208","17.9579","0.0019","7.8494","0.0009","11.428","0.0015","90","","120.223","0.001","90","","1391.9","0.3","243","2","243","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H17 N O7 -","- C12 H17 N O7 -","- C48 H68 N4 O28 -","4","1","","Rena Bodner; Bridget K. Marcellino; Alexandra Severino; Abigail L. Smenton; Christian M. Rojas","","Journal of Organic Chemistry","2005","70","","3988","3996","10.1021/jo0500129","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020209","11.8288","0.0003","17.1521","0.0004","17.8083","0.0005","90","","90","","90","","3613.1","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 N4 O7 -","- C38 H48 N4 O7 -","- C152 H192 N16 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020210","10.4915","0.0003","16.6596","0.0004","17.7783","0.0004","90","","90","","90","","3107.37","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020211","6.903","0.0003","10.877","0.0007","16.728","0.0009","83.182","0.003","79.392","0.004","77.474","0.004","1201.08","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 O5 Si -","- C23 H34 O5 Si -","- C46 H68 O10 Si2 -","2","1","","Jean-Pierre Uttaro; Gérard Audran; Honoré Monti","","Journal of Organic Chemistry","2005","70","","3484","3489","10.1021/jo050039s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020212","13.7526","0.0019","6.4876","0.0009","15.415","0.002","90","","91.779","0.003","90","","1374.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H37 F2 N O5 Si -","- C24 H37 F2 N O5 Si -","- C48 H74 F4 N2 O10 Si2 -","2","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020213","10.5215","0.001","14.6712","0.0014","24.061","0.002","90","","90","","90","","3714.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H53 F2 N3 O7 Si2 -","- C28 H52 F2 N3 O7 Si2 -","- C112 H208 F8 N12 O28 Si8 -","4","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020214","6.003","0.0012","9.981","0.002","26.437","0.005","90","","90","","90","","1584","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Alex M. Szpilman; Edward E. Korshin; Haim Rozenberg; Mario D. Bachi","","Journal of Organic Chemistry","2005","70","","3618","3632","10.1021/jo050074z","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020215","8.506","0.001","26.258","0.005","6.205","0.002","95.67","0.02","103.93","0.02","88.93","0.01","1338.6","0.5","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020216","6.3071","0.0003","12.1522","0.0009","32.017","0.002","90","","90","","90","","2454","0.2","93.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020217","6.3028","0.0005","12.7985","0.0009","31.838","0.004","90","","90","","90","","2568.2","0.4","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H28 Cl2 N O3 -","- C108 H112 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020218","6.275","0.004","12.617","0.008","31.923","0.019","90","","90","","90","","2527","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020219","17.2663","","9.2015","","21.2939","","90","","99","","90","","3336.95","","150.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Co Si2 -","- C35 H37 Co Si2 -","- C140 H148 Co4 Si8 -","4","1","","Shunji Ito; Mariko Ando; Akiko Nomura; Noboru Morita; Chizuko Kabuto; Hidetomo Mukai; Kazuchika Ohta; Jun Kawakami; Atsushi Yoshizawa; Akio Tajiri","","Journal of Organic Chemistry","2005","70","","3939","3949","10.1021/jo0500986","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020220","8.1622","0.0014","25.266","0.002","8.8758","0.0011","90","","115.558","0.012","90","","1651.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Fátima Churruca; Raul San Martín; Mónica Carril; Urtiaga, M.K.; Xavier Solans.; Imanol Tellitu; Esther Domínguez","","Journal of Organic Chemistry","2005","70","","3178","3187","10.1021/jo0501036","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020221","16.5","0.006","3.962","0.003","17.251","0.007","90","","113.076","0.013","90","","1037.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F O3 -","- C12 H11 F O3 -","- C48 H44 F4 O12 -","4","1","","Gillian E. Morton; Anthony G. M. Barrett","","Journal of Organic Chemistry","2005","70","","3525","3529","10.1021/jo050112e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020222","3.9446","0.0003","15.7446","0.0011","18.1173","0.0014","90","","90","","90","","1125.2","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br F O3 -","- C12 H10 Br F O3 -","- C48 H40 Br4 F4 O12 -","4","1","","Gillian E. Morton; Anthony G. M. Barrett","","Journal of Organic Chemistry","2005","70","","3525","3529","10.1021/jo050112e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020223","18.0517","0.0011","6.2044","0.0004","10.8293","0.0007","90","","91.692","0.003","90","","1212.35","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N O -","- C12 H21 N O -","- C48 H84 N4 O4 -","4","1","","Fleming, Fraser F.; Gudipati, Subrahmanyam; Zhang, Zhiyu; Liu, Wang; Steward, Omar W.","Cyclic Nitriles: Diastereoselective Alkylations","Journal of Organic Chemistry","2005","70","10","3845","3849","10.1021/jo0501184","","","","","","","","","","","","","","","","","","","","","has coordinates","209047","2020-10-21","18:00:00",""
"4020224","8.266","0.003","11.948","0.004","27.816","0.01","90","","90","","90","","2747.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H20 N O S3 -","- C14.5 H14.5 N0.5 O S1.5 -","- C116 H116 N4 O8 S12 -","8","2","","Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; Mercedes Santos; M. Ascensión Sanz-Tejedor; José. L. García Ruano","","Journal of Organic Chemistry","2005","70","","3914","3920","10.1021/jo050129x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020225","6.3998","0.0001","22.1292","0.0002","8.4297","0.0001","90","","111.597","0.001","90","","1110.02","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C48 H48 O12 S4 -","4","1","","J. L. García Ruano; Cristina Fajardo; Alberto Fraile; M. Rosario Martín","","Journal of Organic Chemistry","2005","70","","4300","4306","10.1021/jo050131o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020226","15.8574","0.0001","7.1566","0.0001","22.6412","0.0002","90","","107.188","0.001","90","","2454.69","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O3 S -","- C13 H14 O3 S -","- C104 H112 O24 S8 -","8","2","","J. L. García Ruano; Cristina Fajardo; Alberto Fraile; M. Rosario Martín","","Journal of Organic Chemistry","2005","70","","4300","4306","10.1021/jo050131o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020227","8.0985","0.0012","10.4719","0.0016","12.3827","0.0019","90","","90.47","0.003","90","","1050.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br I O3 -","- C8 H8 Br I O3 -","- C32 H32 Br4 I4 O12 -","4","1","","Carlos Silva López; Rosana Álvarez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","","Journal of Organic Chemistry","2005","70","","3654","3659","10.1021/jo0501339","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020228","21.199","0.005","10.42","0.0017","38.634","0.006","90","","95.578","0.006","90","","8494","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 O -","- C27 H26 O -","- C432 H416 O16 -","16","2","","Shaolin Zhou; Bin Yan; Yuanhong Liu","","Journal of Organic Chemistry","2005","70","","4006","4012","10.1021/jo050152i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020229","10.417","0.002","11.773","0.003","14.433","0.004","77.35","0.02","81.38","0.02","69.06","0.01","1608","0.7","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N2 O4.5 -","- C34 H42 N2 O4.5 -","- C68 H84 N4 O9 -","2","1","","Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto","","Journal of Organic Chemistry","2005","70","","4043","4053","10.1021/jo0501543","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020230","12.992","0.003","10.203","0.003","18.76","0.005","90","","100.518","0.0011","90","","2445","1.1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H42 N2 O4 -","- C24 H42 N2 O4 -","- C96 H168 N8 O16 -","4","2","","Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto","","Journal of Organic Chemistry","2005","70","","4043","4053","10.1021/jo0501543","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020231","13.914","0.003","6.448","0.002","6.075","0.002","100.19","0.02","97.74","0.02","87.12","0.02","531.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Alessia Bacchi; Mirco Costa; Nicola Della Cà; Bartolo Gabriele; Giuseppe Salerno; Silvia Cassoni","","Journal of Organic Chemistry","2005","70","","4971","4979","10.1021/jo050155v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020232","15.528","0.003","18.993","0.004","10.971","0.002","74.7","0.02","86.06","0.02","82.38","0.02","3091.4","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","4","","Alessia Bacchi; Mirco Costa; Nicola Della Cà; Bartolo Gabriele; Giuseppe Salerno; Silvia Cassoni","","Journal of Organic Chemistry","2005","70","","4971","4979","10.1021/jo050155v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020233","6.4741","0.0007","8.8315","0.001","12.1985","0.0014","75.98","0.002","86.42","0.002","76.949","0.002","659.18","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","t-butylacetyl chloride * ZrCl4","","","- C12 H22 Cl10 O2 Zr2 -","- C12 H22 Cl10 O2 Zr2 -","- C12 H22 Cl10 O2 Zr2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020234","8.8905","0.0007","7.0693","0.0006","9.3375","0.0007","90","","98.594","0.002","90","","580.27","0.08","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","fluorobenzoyl chloride * GaCl3","","","- C7 H4 Cl4 F Ga O -","- C7 H4 Cl4 F Ga O -","- C14 H8 Cl8 F2 Ga2 O2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020235","8.917","0.002","12.313","0.002","16.573","0.003","90","","98.349","0.004","90","","1800.4","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroheptamethylbenzenium GaCl4","","","- C13 H20 Cl5 Ga -","- C13 H20 Cl5 Ga -","- C52 H80 Cl20 Ga4 -","4","1","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020236","8.8001","0.0008","11.934","0.0011","11.531","0.0011","90","","102.361","0.002","90","","1182.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","acetophenone * TiCl4","","","- C16 H16 Cl8 O2 Ti2 -","- C16 H16 Cl8 O2 Ti2 -","- C32 H32 Cl16 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020237","8.5649","0.0015","12.261","0.002","11.769","0.002","90","","102.185","0.005","90","","1208","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hydrindone * TiCl4","","","- C18 H16 Cl8 O2 Ti2 -","- C18 H16 Cl8 O2 Ti2 -","- C36 H32 Cl16 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020238","9.389","0.005","9.676","0.003","10.123","0.004","66.44","0.03","74.06","0.03","86.43","0.02","809.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","hydrindone * ZrCl4","","","- C20 H20 Cl12 O2 Zr2 -","- C20 H20 Cl12 O2 Zr2 -","- C20 H20 Cl12 O2 Zr2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020239","8.9723","0.0005","7.1793","0.0004","10.5981","0.0006","90","","103.835","0.001","90","","662.87","0.06","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","benzoyl chloride*SbCl5","","","- C7 H5 Cl6 O Sb -","- C7 H5 Cl6 O Sb -","- C14 H10 Cl12 O2 Sb2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020240","8.1706","0.0008","8.8513","0.0009","9.5658","0.001","64.311","0.002","77.905","0.002","72.173","0.002","591.11","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","benzoyl chloride * TiCl4","","","- C14 H10 Cl10 O2 Ti2 -","- C14 H10 Cl10 O2 Ti2 -","- C14 H10 Cl10 O2 Ti2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020241","7.4816","0.0006","18.3327","0.0014","9.5736","0.0008","90","","107.525","0.002","90","","1252.15","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-toluoyl chloride * TiCl4","","","- C16 H14 Cl10 O2 Ti2 -","- C16 H14 Cl10 O2 Ti2 -","- C32 H28 Cl20 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020242","7.0758","0.0004","18.5263","0.0011","9.3579","0.0005","90","","105.328","0.001","90","","1183.08","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","fluorobenzoyl chloride * TiCl4","","","- C14 H8 Cl10 F2 O2 Ti2 -","- C14 H8 Cl10 F2 O2 Ti2 -","- C28 H16 Cl20 F4 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020243","10.73","0.002","19.233","0.004","8.9878","0.0018","90","","94.2","0.03","90","","1849.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl3 N3 O3 -","- C15 H14 Cl3 N3 O3 -","- C60 H56 Cl12 N12 O12 -","4","1","","Weifeng Shi; Fengping Xiao; Jianbo Wang","","Journal of Organic Chemistry","2005","70","","4318","4322","10.1021/jo050173c","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020244","8.2829","0.0017","12.724","0.003","13.209","0.003","67","0.03","78.3","0.03","86.13","0.03","1254.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 Cl4 O6 -","- C24 H22 Cl4 O6 -","- C48 H44 Cl8 O12 -","2","1","","Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn","","Journal of Organic Chemistry","2005","70","","4840","4846","10.1021/jo0501792","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020245","17.79","0.004","7.9794","0.0016","22.872","0.005","90","","90","","90","","3246.8","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 Br2 Cl2 O10 -","- C30 H28 Br2 Cl2 O10 -","- C120 H112 Br8 Cl8 O40 -","4","1","","Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn","","Journal of Organic Chemistry","2005","70","","4840","4846","10.1021/jo0501792","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020246","7.8493","0.0009","8.5693","0.0009","16.0885","0.0018","76.683","0.008","81.06","0.009","71.79","0.008","996.24","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 S6 -","- C18 H16 N2 S6 -","- C36 H32 N4 S12 -","2","1","","Claudia Loosli; Chunyang Jia; Shi-Xia Liu; Marco Haas; Maryléne Dias; Eric Levillain; Antonia Neels; Gael Labat; Andreas Hauser; Silvio Decurtins","","Journal of Organic Chemistry","2005","70","","4988","4992","10.1021/jo0501801","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020247","14.4612","0.0016","11.6741","0.0013","10.6275","0.0011","90","","90","","90","","1794.2","0.3","218","2","218","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 F12 N2 P2 -","- C12 H14 F12 N2 P2 -","- C48 H56 F48 N8 P8 -","4","0.5","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020248","17.688","0.003","11.184","0.002","18.034","0.005","90","","96.03","0.014","90","","3547.9","1.8","241","2","241","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 N O14 -","- C37 H45 N O14 -","- C148 H180 N4 O56 -","4","0.5","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020249","13.9159","0.0017","21.217","0.002","21.768","0.002","90","","95.423","0.009","90","","6398.3","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 F12 N3 O17 P2 -","- C58 H77 F12 N3 O17 P2 -","- C232 H308 F48 N12 O68 P8 -","4","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020250","10.3991","0.0006","13.6159","0.0008","19.3423","0.0012","87.759","0.001","82.524","0.001","72.675","0.001","2592.3","0.3","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H63 F6 N4 O13.5 P -","- C45 H52 F6 N4 O13 P -","- C90 H104 F12 N8 O26 P2 -","2","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020251","11.871","0.003","23.066","0.005","20.45","0.006","90","","90.307","0.008","90","","5599.5","2.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 F12 N2 O14 P2 -","- C52 H67 F12 N2 O14 P2 -","- C208 H268 F48 N8 O56 P8 -","4","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020252","10.7938","0.0013","20.226","0.0019","21.431","0.002","63.096","0.009","83.239","0.01","84.292","0.009","4137.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H115.86 O29.93 -","- C81 H101 O29.931 -","- C162 H202 O59.862 -","2","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020253","11.2195","0.0011","7.181","0.0007","12.868","0.0013","90","","92.559","0.005","90","","1035.71","0.18","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O2 S2 -","- C21 H26 N2 O2 S2 -","- C42 H52 N4 O4 S4 -","2","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020254","7.7798","0.0008","9.7832","0.001","11.1085","0.0011","75.16","0.005","79.807","0.005","67.272","0.005","750.93","0.13","190","2","190","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 N2 O3 S2 Si -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","1","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020255","13.963","0.003","22.947","0.004","31.616","0.005","70.01","0.02","87.85","0.02","83.46","0.02","9458","3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H76 P2 Si2 -","- C44.05 H64.75 P2 Si2 -","- C352.4 H518 P16 Si16 -","8","4","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020256","15.2131","0.0008","16.864","0.002","10.598","0.001","95.069","0.001","107.446","0.004","81.572","0.004","2563.1","0.4","143","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H88 P2 Si2 -","- C50 H88 P2 Si2 -","- C100 H176 P4 Si4 -","2","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020257","10.65","0.001","16.92","0.002","27.253","0.001","90","","100.309","0.003","90","","4831.7","0.7","130","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 P2 Si2 -","- C46 H82 P2 Si2 -","- C184 H328 P8 Si8 -","4","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020258","10.5921","0.0005","14.9698","0.0006","29.559","0.001","90","","94.8471","0.0006","90","","4670.1","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 P2 Si2 -","- C44 H78 P2 Si2 -","- C176 H312 P8 Si8 -","4","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020259","11.7529","0.0007","11.7529","0.0007","15.9649","0.0019","90","","90","","90","","2205.2","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H19 Br N4 O8 -","- C18 H19 Br N4 O8 -","- C72 H76 Br4 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020260","8.1212","0.0007","14.9889","0.0012","15.8159","0.0013","90","","90","","90","","1925.2","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C72 H80 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020261","11.977","0.002","15.047","0.003","21.319","0.004","90","","90","","90","","3842.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N8 O16 -","- C32 H38 N8 O16 -","- C128 H152 N32 O64 -","4","1","","Manuela Tosin; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4107","4117","10.1021/jo050200z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020262","17.509","0.018","17.694","0.017","23.43","0.02","105.17","0.07","93.96","0.09","103.58","0.09","6745","11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C153 H189 Cl3 N16 Zn4 -","- C153 H189 Cl3 N16 Zn4 -","- C306 H378 Cl6 N32 Zn8 -","2","1","","Satoru Hiroto; Atsuhiro Osuka","","Journal of Organic Chemistry","2005","70","","4054","4058","10.1021/jo0502192","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020263","8.672","0.0013","9.721","0.001","11.155","0.0017","103.884","0.008","101.898","0.007","107.401","0.007","831","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H26 -","- C22 H26 -","- C44 H52 -","2","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","Zirconocene-Mediated and/or Catalyzed Unprecedented Coupling Reactions of Alkoxymethyl-Substituted Styrene Derivatives","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
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"4020266","13.431","0.001","7.55","0.0003","14.385","0.0011","90","","116.144","0.003","90","","1309.46","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F2 -","- C18 H16 F2 -","- C72 H64 F8 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020267","13.545","0.0005","7.808","0.0003","20.667","0.0007","90","","116.287","0.002","90","","1959.69","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F2 O -","- C23 H28 F2 O -","- C92 H112 F8 O4 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020268","8.478","0.0008","9.898","0.001","17.187","0.0008","90","","91.297","0.005","90","","1441.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 -","- C19 H22 -","- C76 H88 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020269","13.156","0.0008","11.6708","0.0007","16.293","0.0009","90","","102.174","0.001","90","","2445.4","0.2","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","corannulene","","","- C20 H10 -","- C20 H10 -","- C160 H80 -","8","2","","Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott","","Journal of Organic Chemistry","2005","70","","5713","5716","10.1021/jo050233e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020270","13.1278","0.0007","11.6129","0.0006","16.2338","0.0009","90","","102.068","0.001","90","","2420.2","0.2","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","corannulene","","","- C20 H10 -","- C20 H10 -","- C160 H80 -","8","2","","Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott","","Journal of Organic Chemistry","2005","70","","5713","5716","10.1021/jo050233e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020271","10.6129","0.0008","12.1178","0.0009","22.3579","0.0017","101.088","0.002","90.658","0.002","104.314","0.002","2728.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N2 O3 -","- C33 H30 N2 O3 -","- C132 H120 N8 O12 -","4","2","","Sukhdev Manku; Dennis P. Curran","Fluorous Mixture Synthesis of Fused-Tricyclic Hydantoins. Use of a Redundant Tagging Strategy on Fluorinated Substrates","Journal of Organic Chemistry","2005","70","","4470","4473","10.1021/jo0502596","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020272","8.1512","0.0007","11.4529","0.001","12.7178","0.0011","88.247","0.002","78.609","0.002","76.132","0.002","1129.78","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Sukhdev Manku; Dennis P. Curran","","Journal of Organic Chemistry","2005","70","","4470","4473","10.1021/jo0502596","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020273","6.1","0.007","7.694","0.009","21.66","0.02","90","","94.72","0.02","90","","1013.3","1.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C42 H58 N2 O10 -","2","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020274","31.656","0.008","6.3516","0.0014","18.371","0.005","90","","124.109","0.004","90","","3058.3","1.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H42 N2 O5 -","- C32 H42 N2 O5 -","- C128 H168 N8 O20 -","4","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020275","17.48","0.02","9.14","0.02","26.13","0.01","90","","107.25","0.06","89","","3987","5","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Se7 -","- C28 H28 Se14 -","- C224 H224 Se112 -","8","2","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020276","10.258","0.006","8.901","0.005","12.501","0.005","90","","97.71","0.04","90","","1131","1","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 Se8 -","- C16 H16 Se8 -","- C32 H32 Se16 -","2","0.5","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020277","12.61","0.008","8.781","0.003","13.849","0.006","90","","89.86","0.02","90","","1533","1","173.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag F3 O2 Se4 -","- C10 H8 Ag F3 O2 Se4 -","- C40 H32 Ag4 F12 O8 Se16 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020278","18.561","0.008","10.596","0.005","9.523","0.003","90","","90.92","0.03","90","","1872","1","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Ag F3 O2 Se5 -","- C12 H10 Ag F3 O2 Se5 -","- C48 H40 Ag4 F12 O8 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020279","9.988","0.005","10.253","0.006","9.82","0.006","117.67","0.05","115.71","0.04","64.52","0.04","768.7","0.9","173.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Ag F3 O2 Se4 -","- C10 H8 Ag F3 O2 Se4 -","- C20 H16 Ag2 F6 O4 Se8 -","2","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020280","10.725","0.001","11.207","0.002","12.938","0.002","90","","93.565","0.007","90","","1552.1","0.4","103.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag N O3 Se5 -","- C10 H10 Ag N O3 Se5 -","- C40 H40 Ag4 N4 O12 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020281","9.169","0.003","9.702","0.003","10.523","0.004","92.443","0.005","93.616","0.005","112.089","0.005","863.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O8 -","- C17 H17 N O8 -","- C34 H34 N2 O16 -","2","1","","Hulluri, Surya Prakash Rao; Shanmugam, Sivakumar","","Journal of Organic Chemistry","2005","70","","4524","4527","10.1021/jo050308e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020282","20.153","0.003","20.153","0.003","14.202","0.002","90","","90","","90","","5767.8","1.4","93","2","93","2","","","","","","","","6","I 41","I 4bw","80","","","","- C23 H22 Br4 Cl3 N4 O4.5 -","- C23 H22 Br4 Cl3 N4 O4.5 -","- C184 H176 Br32 Cl24 N32 O36 -","8","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020283","23.882","0.005","6.7351","0.0016","13.747","0.004","90","","110.39","0.005","90","","2072.5","0.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 -","- C10 H8 Br2 N2 -","- C80 H64 Br16 N16 -","8","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020284","7.2876","0.0014","7.3084","0.0008","10.801","0.003","81.55","0.019","88.035","0.018","66.12","0.013","520.11","0.17","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 O -","- C10 H8 Br2 N2 O -","- C20 H16 Br4 N4 O2 -","2","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020285","7.8553","0.0001","12.6178","0.0002","21.7682","0.0003","90","","90","","90","","2157.59","0.05","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020286","7.183","0.003","12.295","0.004","25.615","0.012","90","","90","","90","","2262.2","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020287","7.0009","0.0001","10.7663","0.0001","10.5139","0.0001","90","","98.276","0.001","90","","784.22","0.015","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 Si -","- C14 H21 N O4 Si -","- C28 H42 N2 O8 Si2 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020288","6.6205","0.0017","10.695","0.005","16.226","0.007","90","","90","","90","","1148.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020289","8.7304","0.0006","6.0986","0.0005","17.0394","0.0013","90","","99.65","0.003","90","","894.4","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Cl F3 N O4 -","- C16 H19 Cl F3 N O4 -","- C32 H38 Cl2 F6 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020290","7.1847","0.0013","19.703","0.004","11.927","0.002","90","","98.777","0.004","90","","1668.6","0.5","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020291","8.325","0.003","11.534","0.004","17.382","0.007","90","","98.075","0.007","90","","1652.5","1.1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020292","10.549","0.004","10.483","0.004","14.482","0.005","90","","104.623","0.007","90","","1549.7","1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020293","8.3057","0.0019","10.161","0.002","11.493","0.003","90","","98.305","0.004","90","","959.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","0.5","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020294","17.2719","0.0009","7.3616","0.0004","17.7619","0.0009","90","","115.421","0.001","90","","2039.74","0.19","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C88 H88 Cl8 N8 O8 -","4","0.5","","William W. Porter, III; Thomas P. Vaid","","Journal of Organic Chemistry","2005","70","","5028","5035","10.1021/jo050328g","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020295","11.1724","0.0006","17.6479","0.0009","20.256","0.001","73.118","0.001","76.353","0.001","76.596","0.001","3656.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 F6 N3 P -","- C27 H23 F6.02 N3 P1.00333 -","- C162 H138 F36.12 N18 P6.02 -","6","3","","William W. Porter, III; Thomas P. Vaid","","Journal of Organic Chemistry","2005","70","","5028","5035","10.1021/jo050328g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020296","8.2006","0.0016","5.99","0.0012","20.888","0.004","90","","100.704","0.003","90","","1008.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04218","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","","Craig R. Berry; Richard P. Hsung; Jennifer E. Antoline; Matthew E. Petersen; Rameshkumar Challeppan; Jessica A. Nielson","","Journal of Organic Chemistry","2005","70","","4038","4042","10.1021/jo0503411","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020297","9.566","0.002","10.902","0.003","14.003","0.004","90","","90","","90","","1460.3","0.7","103.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 S -","- C15 H22 O2 S -","- C60 H88 O8 S4 -","4","1","","Yusuke Nakashima; Toshio Shimizu; Kazunori Hirabayashi; Fujiko Iwasaki; Mikio Yamasaki; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5020","5027","10.1021/jo050343l","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020298","6.277","0.005","10.693","0.009","14.43","0.02","89.34","0.04","79.55","0.06","89.99","0.04","952.6","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C44 H46 Br2 O8 -","2","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020299","6.112","0.003","10.011","0.004","30.05","0.01","90","","90","","90","","1838","1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020300","7.7142","0.0002","12.489","0.0003","16.4407","0.0004","90","","90","","90","","1583.94","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020301","8.5126","0.0002","13.0434","0.0003","10.3263","0.0003","90","","111.545","0.001","90","","1066.45","0.05","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl3 N2 O3 -","- C21 H23 Cl3 N2 O3 -","- C42 H46 Cl6 N4 O6 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020302","7.2678","0.0002","9.5184","0.0003","9.629","0.0003","103.344","0.002","93.196","0.002","94.762","0.002","643.96","0.03","233","2","233","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","1","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020303","10.0199","0.0003","14.4855","0.0005","15.229","0.0006","90","","90","","90","","2210.39","0.13","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C104 H112 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020304","8.4712","0.0004","9.1064","0.0004","21.7919","0.0007","90","","90","","90","","1681.07","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020305","9.4969","0.0003","14.4534","0.0004","21.8742","0.0007","90","","90","","90","","3002.51","0.16","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 N3 O3 -","- C34 H43 N3 O3 -","- C136 H172 N12 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020306","8.849","0.0002","7.7644","0.0003","18.7321","0.0007","90","","103.497","0.002","90","","1251.48","0.07","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O6 S -","- C28 H32 N2 O6 S -","- C56 H64 N4 O12 S2 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020307","23.3036","0.0009","23.3036","0.0009","8.5915","0.0006","90","","90","","90","","4665.7","0.4","273","2","273","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H18 O -","- C12 H18 O -","- C192 H288 O16 -","16","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Stereolabile and Configurationally Stable Atropisomers of Hindered Aryl Carbinols.","Journal of Organic Chemistry","2005","70","","5098","5102","10.1021/jo050382x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020308","8.5188","0.0007","8.1021","0.0008","17.7649","0.0013","90","","98.111","0.007","90","","1213.87","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 N0 O5 Si -","- C20 H38 O5 Si -","- C40 H76 O10 Si2 -","2","1","","Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White","","Journal of Organic Chemistry","2005","70","","5449","5460","10.1021/jo0503862","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020309","22.109","0.001","8.375","0.001","19.32","0.001","90","","103.04","0.01","90","","3485.1","0.5","290","2","290","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C31 H56 O6 Si -","- C31 H56 O6 Si -","- C124 H224 O24 Si4 -","4","1","","Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White","","Journal of Organic Chemistry","2005","70","","5449","5460","10.1021/jo0503862","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020310","14.764","0.002","17.671","0.003","11.94","0.002","90","","103.858","0.006","90","","3024.4","0.8","90","2","90","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C27.3895 H44.779 B Cl0.407 F4 O0.2965 P2 Rh S -","- C27.3895 H44.78 B Cl0.407 F4 O0.2965 P2 Rh S -","- C109.558 H179.12 B4 Cl1.628 F16 O1.186 P8 Rh4 S4 -","4","1","","Tiziana Benincori; Tullio Pilati; Simona Rizzo; Franco Sannicoló; Mark J. Burk; Lorenzo de Ferra; Elio Ullucci; Oreste Piccolo","The 2,5-Dimethyl-3,4-bis[(2R,5R)-2,5-dimethylpospholano]thiophene (UluPHOS):the First Member of the Hetero-DuPHOS Family.","Journal of Organic Chemistry","2005","70","","5436","5441","10.1021/jo050390d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020311","12.369","0.004","10.857","0.004","13.911","0.005","90","","113.917","0.005","90","","1707.7","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 Cl Cu N2 -","- C15 H24 Cl Cu N2 -","- C60 H96 Cl4 Cu4 N8 -","4","2","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020312","23.5521","0.0017","12.9864","0.0009","25.1635","0.0018","90","","116.269","0.001","90","","6901.6","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H124 Cl4 Cu4 O2 P4 -","- C56 H124 Cl4 Cu4 O2 P4 -","- C224 H496 Cl16 Cu16 O8 P16 -","4","0.5","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020313","8.784","0.0007","15.4247","0.0012","30.289","0.002","90","","90","","90","","4103.9","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl Cu N2 -","- C21 H26 Cl Cu N2 -","- C168 H208 Cl8 Cu8 N16 -","8","1","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020314","10.7023","0.0004","5.7153","0.0002","17.0466","0.0006","90","","102.982","0.001","90","","1016.04","0.06","125","2","125","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H22 N2 O6 -","- C24 H22 N2 O6 -","- C48 H44 N4 O12 -","2","1","","Sergiu Coseri; G. David Mendenhall; K. U. Ingold","","Journal of Organic Chemistry","2005","70","","4629","4636","10.1021/jo0504060","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020315","12.6673","0.0013","8.121","0.0008","14.0349","0.0014","90","","106.422","0.002","90","","1384.9","0.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Sergiu Coseri; G. David Mendenhall; K. U. Ingold","","Journal of Organic Chemistry","2005","70","","4629","4636","10.1021/jo0504060","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020316","5.513","0.006","12.528","0.014","26.192","0.023","90","","90","","90","","1809","3.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Paol02","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Xiaochuan Chen; Jinchun Chen; Michael De Paolis; Jieping Zhu","","Journal of Organic Chemistry","2005","70","","4397","4408","10.1021/jo050408k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020317","15.8881","0.0013","9.5511","0.0008","19.7281","0.0015","90","","90.371","0.002","90","","2993.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Br Cl N O9 -","- C28 H31 Br Cl N O9 -","- C112 H124 Br4 Cl4 N4 O36 -","4","1","","Wan-Guo Wei; Zhu-Jun Yao","","Journal of Organic Chemistry","2005","70","","4585","4590","10.1021/jo050414g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020318","9.2669","0.0019","11.841","0.002","18.233","0.004","90","","97.79","0.03","90","","1982.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Cl2 N O -","- C19 H25 Cl2 N O -","- C76 H100 Cl8 N4 O4 -","4","1","","Congyang Wang; Jiang Lu; Guoliang Mao; Zhenfeng Xi","","Journal of Organic Chemistry","2005","70","","5150","5156","10.1021/jo050433q","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020319","6.4851","0.0006","9.8871","0.0009","10.5663","0.001","100.153","0.001","97.752","0.001","106.194","0.001","628.17","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H39 Br O5 -","- C25 H39 Br O5 -","- C25 H39 Br O5 -","1","1","","Gisele A. Nishiguchi; Daniel Little","","Journal of Organic Chemistry","2005","70","","5249","5256","10.1021/jo050465d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020320","45.53","0.04","33.5","0.04","54.22","0.05","90","","109.04","0.06","90","","78188","124","283","2","283","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C172 H310 B108 Co6 F12 N12 O18 P12 Pt6 S4 -","- C172 B108 Co6 F12 N12 O18 P12 Pt6 S4 -","- C1376 B864 Co48 F96 N96 O144 P96 Pt48 S32 -","8","1","","Manuela Schweiger; Takuya Yamamoto; Peter J. Stang; Dieter Bläser; Roland Boese","","Journal of Organic Chemistry","2005","70","","4861","4864","10.1021/jo050469i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020321","27.979","0.004","43.908","0.006","31.316","0.005","90","","101.585","0.003","90","","37688","9","278","2","278","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C162 H288 B72 Co4 F6 N12 O13 P12 Pt6 S2 -","- C161.5 B72 Co4 F4.5 N12 O11.5 P12 Pt6 S1.5 -","- C646 B288 Co16 F18 N48 O46 P48 Pt24 S6 -","4","1","","Manuela Schweiger; Takuya Yamamoto; Peter J. Stang; Dieter Bläser; Roland Boese","","Journal of Organic Chemistry","2005","70","","4861","4864","10.1021/jo050469i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020322","11.9211","0.0006","8.406","0.0004","9.7895","0.0005","90","","124.064","0.002","90","","812.67","0.07","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 O4 -","- C10 H8 O4 -","- C40 H32 O16 -","4","0.5","","María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi","","Journal of Organic Chemistry","2005","70","","5461","5470","10.1021/jo050471+","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020323","17.1273","0.0013","9.0809","0.0007","6.937","0.0005","90","","104.85","0.005","90","","1042.88","0.14","143","2","143","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi","","Journal of Organic Chemistry","2005","70","","5461","5470","10.1021/jo050471+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020324","11.6293","0.0015","13.7395","0.0018","16.846","0.002","90","","105.51","0.002","90","","2593.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl6 Cu2 N4 -","- C23 H20 Cl6 Cu2 N4 -","- C92 H80 Cl24 Cu8 N16 -","4","1","","Fabian Mohr; Seth A. Binfield; James C. Fettinger; Andrei N. Vedernikov","","Journal of Organic Chemistry","2005","70","","4833","4839","10.1021/jo050485f","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020325","21.008","0.016","8.111","0.007","15.895","0.013","90","","99.683","0.013","90","","2670","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl3 Cu N2 -","- C11 H9 Cl3 Cu N2 -","- C88 H72 Cl24 Cu8 N16 -","8","1","","Fabian Mohr; Seth A. Binfield; James C. Fettinger; Andrei N. Vedernikov","","Journal of Organic Chemistry","2005","70","","4833","4839","10.1021/jo050485f","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020326","9.1922","0.0007","9.1922","0.0007","29.597","0.003","90","","90","","120","","2165.8","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C90 H138 N6 O24 -","6","1","","Albert Padwa; John D. Ginn","","Journal of Organic Chemistry","2005","70","","5197","5206","10.1021/jo050515e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020327","13.346","0.002","9.489","0.002","36.686","0.007","89","","89","","90","","4645","1","123.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H17 N5 O -","- C29 H17 N5 O -","- C232 H136 N40 O8 -","8","2","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020328","8.925","0.002","8.797","0.002","31.697","0.007","90","","90","","90","","2488.8","0.8","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N5 O -","- C29 H23 N5 O -","- C116 H92 N20 O4 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020329","11.072","0.005","8.503","0.004","24.75","0.01","90","","102.306","0.007","90","","2276","1","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020330","8.434","0.003","10.485","0.004","25.37","0.009","90","","90","","90","","2243","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020331","11.679","0.003","17.481","0.005","20.736","0.005","90","","90","","90","","4233","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 O8 -","- C48 H58 O8 -","- C192 H232 O32 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020332","5.415","0.0002","13.688","0.0005","16.849","0.0007","65.87","0.0015","83.086","0.0015","81.892","0.0018","1125.62","0.07","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H23 F3 N2 O6 S -","- C21 H23 F3 N2 O6 S -","- C42 H46 F6 N4 O12 S2 -","2","2","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez Osés; Jesús M. Peregrina","","Journal of Organic Chemistry","2005","70","","5721","5724","10.1021/jo0505371","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020333","10.4839","0.0004","11.3456","0.0005","12.2094","0.0006","103.358","0.002","91.172","0.002","102.271","0.0019","1376.99","0.1","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Daniel L. Comins; Jeffery T. Kuethe; Teresa M. Miller; Florence C. Février; Clinton A. Brooks","Diels-Alder Reactions of N-Acyl-2-alkyl(aryl)-5-vinyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2005","70","","5221","5234","10.1021/jo050559n","","","","","","","","","","","0.051","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4020334","11.9383","0.0015","12.2754","0.0013","13.8877","0.001","104.563","0.008","90.496","0.008","116.938","0.008","1738.3","0.3","219","","219","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 N O9 S2 -","- C36 H39 N O9 S2 -","- C72 H78 N2 O18 S4 -","2","1","","Daniel L. Comins; Jeffery T. Kuethe; Teresa M. Miller; Florence C. Février; Clinton A. Brooks","Diels-Alder Reactions of N-Acyl-2-alkyl(aryl)-5-vinyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2005","70","","5221","5234","10.1021/jo050559n","","","","","","","","","","","0.047","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020335","8.347","0.003","11.71","0.002","19.072","0.002","90","","97.94","0.02","90","","1846.2","0.7","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl O P S Se -","- C19 H14 Cl O P S Se -","- C76 H56 Cl4 O4 P4 S4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020336","8.719","0.004","13.16","0.006","15.8","0.007","90","","90","","90","","1812","1","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N P S Se -","- C16 H22 N P S Se -","- C64 H88 N4 P4 S4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020337","16.757","0.001","10.0442","0.0007","22.95","0.002","90","","98.946","0.004","90","","3815.7","0.5","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 F3 O3 P S2 Se -","- C13 H20 F3 O3 P S2 Se -","- C104 H160 F24 O24 P8 S16 Se8 -","8","2","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020338","15.4862","0.0017","8.2197","0.0009","12.8638","0.0014","90","","90","","90","","1637.5","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020339","12.481","0.005","7.817","0.003","12.573","0.005","90","","98.844","0.007","90","","1212.1","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020340","10.265","0.0016","5.715","0.0009","16.464","0.003","90","","105.233","0.002","90","","931.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020341","5.439","0.0007","15.375","0.002","10.6474","0.0014","90","","98.727","0.002","90","","880.1","0.2","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020342","8.2709","0.0009","12.1819","0.0012","8.7432","0.0009","90","","96.475","0.002","90","","875.3","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl O2 -","- C9 H11 Cl O2 -","- C36 H44 Cl4 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020343","12.177","0.002","9.0889","0.0016","8.1797","0.0014","90","","98.466","0.003","90","","895.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020344","10.6025","0.0004","17.5485","0.0006","37.3067","0.0013","90","","90","","90","","6941.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 N9 O21 Rh2 -","- C66 H76 N9 O20 Rh2 -","- C264 H304 N36 O80 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020345","10.8222","0.0014","21.851","0.003","30.51","0.004","90","","90","","90","","7214.9","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Rh2-complex","","","- C66 H84 N8 O22 Rh2 -","- C66 H84.003 N8 O22 Rh2 -","- C264 H336.012 N32 O88 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020346","15.934","0.003","22.317","0.005","24.695","0.005","90","","90","","90","","8782","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H80 N12 O32 Rh2 S4 -","- C71 H80 N12 O32 Rh2 S4 -","- C284 H320 N48 O128 Rh8 S16 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4020347","14.485","0.0009","15.0017","0.0009","20.52","0.0012","72.813","0.001","89.553","0.001","75.871","0.001","4121","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","1","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020348","12.6291","0.0015","5.2257","0.0006","14.0074","0.0016","90","","113.694","0.0019","90","","846.5","0.17","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C52 H24 F8 -","2","1","","Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez","","Journal of Organic Chemistry","2005","70","","5309","5312","10.1021/jo0506231","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020349","7.096","0.002","11.347","0.003","12.659","0.004","98.315","0.009","95.017","0.009","101.142","0.017","982.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 Br F5 -","- C26 H12 Br F5 -","- C52 H24 Br2 F10 -","2","1","","Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez","","Journal of Organic Chemistry","2005","70","","5309","5312","10.1021/jo0506231","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020350","5.5724","0.0008","12.1744","0.0018","24.426","0.004","90","","90","","90","","1657","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13.33 Cl0.67 N2 O0.67 -","- C12 H13.3333 Cl0.666667 N2 O0.666667 -","- C72 H80 Cl4 N12 O4 -","6","1.5","","Mark S. Kerr; Javier Read de Alaniz; Tomislav Rovis","","Journal of Organic Chemistry","2005","70","","5725","5728","10.1021/jo050645n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020351","7.3144","0.0005","8.326","0.0006","23.569","0.0017","90","","90","","90","","1435.34","0.18","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Thomas Hjelmgaard; Inger Søtofte; David Tanner","","Journal of Organic Chemistry","2005","70","","5688","5697","10.1021/jo0506682","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020352","17.506","0.004","6.9612","0.0016","24.205","0.005","90","","103.629","0.004","90","","2866.7","1.1","105","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl3 N3 O -","- C34 H26 Cl3 N3 O -","- C136 H104 Cl12 N12 O4 -","4","1","","Michael J. Hall; Shane O. McDonnell; John Killoran; Donal F. O'Shea","","Journal of Organic Chemistry","2005","70","","5571","5578","10.1021/jo050696k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020353","7.3906","0.0005","12.5141","0.0009","18.0913","0.0012","90","","98.244","0.002","90","","1655.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O S -","- C18 H20 N2 O S -","- C72 H80 N8 O4 S4 -","4","2","","James C. Anderson; Gareth P. Howell; Ron M. Lawrence; Claire S. Wilson","","Journal of Organic Chemistry","2005","70","","5665","5670","10.1021/jo050762i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020354","17.447","0.008","6.625","0.003","7.767","0.004","90","","90","","90","","897.8","0.7","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H5 N3 O2 -","- C10 H5 N3 O2 -","- C40 H20 N12 O8 -","4","0.5","","Jordan R. Quinn; Steven C. Zimmerman","Structure-Function Studies on a Synthetic Guanosine Receptor That Simultaneously Binds Watson-Crick and Hoogsteen Sites","Journal of Organic Chemistry","2005","70","","7459","7467","10.1021/jo0501689","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020355","13.103","","10.466","","20.244","","90","","102.35","","90","","2711.9","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N O5 P S -","- C28 H30 N O5 P S -","- C112 H120 N4 O20 P4 S4 -","4","1","","Jean-Luc Pirat; Jérôme Monbrun; David Virieux; Jean-Noël Volle; Monique Tillard; Henri-Jean Cristau","Diastereoselective Addition of 2H-2-Oxo-1,4,2-oxazaphosphinanes to Aldehydes and Imines","Journal of Organic Chemistry","2005","70","","7035","7041","10.1021/jo050201r","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020356","9.6172","0.0009","10.6768","0.001","18.0297","0.0016","90","","90","","90","","1851.3","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C76 H100 N4 O32 -","4","1","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020357","15.2205","0.0013","6.8785","0.0005","18.554","0.0017","90","","108.506","0.001","90","","1842.1","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","2","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020358","9.4604","0.0015","9.2409","0.0015","14.71","0.002","90","","95.02","0.02","90","","1281.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O2 S2 -","- C26 H36 N2 O2 S2 -","- C52 H72 N4 O4 S4 -","2","1","","Maurizio Benaglia; Tiziana Benincori; Patrizia Mussini; Tullio Pilati; Simona Rizzo; Franco Sannicolò","Steric and Electronic Tuning of Chiral Bis(oxazoline) Ligands with 3,3'-Bithiophene Backbone","Journal of Organic Chemistry","2005","70","","7488","7495","10.1021/jo050267m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020359","11.6524","0.0003","12.5094","0.0001","14.5268","0.0005","80.161","0.002","73.563","0.001","74.995","0.002","1950.78","0.09","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N4 O7 S3 -","- C36 H40 N4 O7 S3 -","- C72 H80 N8 O14 S6 -","2","1","","Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer","","Journal of Organic Chemistry","2005","70","","5804","5817","10.1021/jo050281z","","","","","","","0.0784","","","0.2227","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020360","12.733","0.002","8.8578","0.0013","13.232","0.002","90","","96.619","0.003","90","","1482.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C60 H88 N8 O12 -","2","0.5","","Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer","","Journal of Organic Chemistry","2005","70","","5804","5817","10.1021/jo050281z","","","","","","","0.0619","","","0.1148","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020361","14.8742","0.0014","6.7877","0.0007","16.8008","0.0016","90","","108.737","0.002","90","","1606.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(8-Formyl-pyren-1-yl)-benzonitrile","","","- C24 H13 N O -","- C24 H13 N O -","- C96 H52 N4 O4 -","4","1","","Matthias Beinhoff; Wilfried Weigel; Wolfgang Rettig; Irene Brüdgam; Hans Hartl; Dieter Schlüter","Towards Quantifying a Solvation Gradient in Dendrimers. Phenylene-Alkylene-Dendrons with Site-Specifically Incorporated Solvatochromic Pyrene Probes","Journal of Organic Chemistry","2005","70","","6583","6591","10.1021/jo050302p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020362","14.929","0.003","11.194","0.002","15.075","0.003","90","","99.23","0.03","90","","2486.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Br N2 O6 -","- C25 H20 Br N2 O6 -","- C100 H80 Br4 N8 O24 -","4","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020363","21.844","0.009","9.342","0.004","24.778","0.01","90","","90","","90","","5057","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020364","7.5246","0.001","31.609","0.004","9.677","0.0013","90","","98.095","0.002","90","","2278.7","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020365","10.4273","0.0002","9.251","0.0002","11.9107","0.0002","90","","98.884","0.001","90","","1135.16","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","2","","Weiming Luo; Qian-sheng Yu; Harold W. Holloway; Damon Parrish; Nigel H. Greig; Arnold Brossi","","Journal of Organic Chemistry","2005","70","","6171","6176","10.1021/jo0503052","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020366","13.0355","0.0019","13.636","0.002","8.6759","0.0012","90","","100.941","0.002","90","","1514.1","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Weiming Luo; Qian-sheng Yu; Harold W. Holloway; Damon Parrish; Nigel H. Greig; Arnold Brossi","","Journal of Organic Chemistry","2005","70","","6171","6176","10.1021/jo0503052","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020367","5.924","0.0002","14.236","0.0003","7.727","0.0006","90","","102.184","0.002","90","","636.97","0.06","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H24 N4 -","- C13 H24 N4 -","- C26 H48 N8 -","2","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020368","16.4812","0.0011","12.3362","0.0007","17.855","0.0016","90","","90","","90","","3630.2","0.5","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Br N4 -","- C19 H29 Br N4 -","- C152 H232 Br8 N32 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020369","12.311","0.0002","8.18","0.0001","31.303","0.0005","90","","99.872","0.001","90","","3105.66","0.08","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl N4 O2.5 -","- C12 H28 Cl N4 O2.5 -","- C96 H224 Cl8 N32 O20 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020370","7.084","0.0005","10.3889","0.0005","8.9091","0.0005","90","","98.045","0.001","90","","649.2","0.2","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N4 -","- C14 H26 N4 -","- C28 H52 N8 -","2","0.5","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020371","13.678","0.004","15.941","0.003","17.499","0.003","90","","103.49","0.02","90","","3710","1","301.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H46 N4 O8 Si -","- C34 H46 N4 O8 Si -","- C136 H184 N16 O32 Si4 -","4","1","","Ken-ichi Sato; Shoji Akai; Naoki Sugita; Tadatsugu Ohsawa; Tomokazu Kogure; Hirotsugu Shoji; Juji Yoshimura","Novel and Stereocontrolled Synthesis of (±)-Tetrodotoxin from myo-Inositol","Journal of Organic Chemistry","2005","70","","7496","7504","10.1021/jo050342t","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020372","6.928","","9.9129","","12.5725","","90","","90","","90","","863.44","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N S -","- C28 H52 N4 O8 S4 -","- C28 H52 N4 O8 S4 -","","","","Li Gao; Rawle I. Hollingsworth","Design and Evaluation of Dihydroxytetrahydro-1H-pyrrolo[2,1-c]-[1,4]benzothiazines as Conformationally Restricted Transition-State Inhibitors of β-Ribosidases","Journal of Organic Chemistry","2005","70","","9013","9016","10.1021/jo050374g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020374","5.6269","0.0006","36.295","0.004","7.6556","0.0009","90","","90.712","0.004","90","","1563.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","Jonathan D. Toker; Martin R. Tremblay; Jari Yli-Kauhaluoma; Anita D. Wentworth; Bin Zhou; Paul Wentworth, Jr.; Kim D. Janda","Exploring the Scope of the 29G12 Antibody Catalyzed 1,3-Dipolar Cycloaddition Reaction","Journal of Organic Chemistry","2005","70","","7810","7815","10.1021/jo050410b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020375","9.729","0.001","10.142","0.003","10.829","0.002","111.07","0.02","91.51","0.02","106.99","0.02","943.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Hassan Sheibani; Paul V. Bernhardt; Curt Wentrup","","Journal of Organic Chemistry","2005","70","","5859","5861","10.1021/jo050428m","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020376","16.512","0.0002","12.197","0.0002","26.853","0.0004","90","","99.718","0.0005","90","","5330.51","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 O7 W -","- C29 H22 O7 W -","- C232 H176 O56 W8 -","8","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna; José Barluenga","","Journal of Organic Chemistry","2005","70","","5852","5858","10.1021/jo050443r","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020377","7.674","0.001","13.3249","0.0017","25.56","0.003","90","","91.49","0.003","90","","2612.8","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N2 O -","- C15 H11 F3 N2 O -","- C120 H88 F24 N16 O8 -","8","2","","Choong Leol Yoo; James C. Fettinger; Mark J. Kurth","Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones","Journal of Organic Chemistry","2005","70","","6941","6943","10.1021/jo050450f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020378","7.8186","0.0005","12.8815","0.0008","13.7597","0.0008","90","","90","","90","","1385.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Choong Leol Yoo; James C. Fettinger; Mark J. Kurth","Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones","Journal of Organic Chemistry","2005","70","","6941","6943","10.1021/jo050450f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020379","10.1002","0.0006","11.4854","0.0007","11.816","0.0007","90","","90","","90","","1370.71","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe N4 O -","- C17 H12 Fe N4 O -","- C68 H48 Fe4 N16 O4 -","4","1","","Francisco Otón; Alberto Tarraga; Arturo Espinosa; Maria D. Velasco; Delia Bautista; Pedro Molina","Preparation, Structure, and Anion Sensing Properties of 1,n-Diaza[n]ferrocenophanes","Journal of Organic Chemistry","2005","70","","6603","6608","10.1021/jo050458p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020380","14.755","0.003","12.198","0.002","6.98","0.0014","90","","97.27","0.03","90","","1246.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N4 S -","- C13 H10 N4 S -","- C52 H40 N16 S4 -","4","0.5","","Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou","Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione","Journal of Organic Chemistry","2005","70","","8322","8326","10.1021/jo0504767","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020381","18.381","0.004","6.1799","0.0012","6.1865","0.0012","90","","90","","90","","702.7","0.2","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C7.5 H7 N2 S0.5 -","- C7.5 H7 N2 S0.5 -","- C30 H28 N8 S2 -","4","1","","Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou","Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione","Journal of Organic Chemistry","2005","70","","8322","8326","10.1021/jo0504767","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020382","5.16","0.002","10.5619","0.0007","11.939","0.002","108.097","0.008","99","0.03","94.537","0.017","605.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Teresa M. V. D. Pinho e Melo; Maria I. L. Soares; António M. d'A. Rocha Gonsalves; José A. Paixão; Ana Matos Beja; Manuela Ramos Silva","N-Vinyl- and C-Vinylpyrroles from Azafulvenium Methides. Flash Vacuum Pyrolysis Route to 5-Oxo-5H-pyrrolizines and 1-Azabenzo[f]azulenes","Journal of Organic Chemistry","2005","70","","6629","6638","10.1021/jo050480i","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020383","13.1511","0.0009","14.4021","0.001","15.4194","0.0011","87.811","0.001","76.823","0.001","62.993","0.001","2526.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Cl3 I O2 Si -","- C50 H64 Cl3 I O2 Si -","- C100 H128 Cl6 I2 O4 Si2 -","2","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020384","13.2179","0.001","18.0859","0.0014","22.4324","0.0018","106.191","0.001","90.743","0.001","101.502","0.002","5033.1","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63 F3 O5 S Si -","- C50 H58.5 F3 O5 S Si -","- C200 H234 F12 O20 S4 Si4 -","4","2","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020385","11.757","0.004","46.193","0.014","9.611","0.003","90","","106.585","0.005","90","","5002","3","193","2","193","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C60 H64 O2 -","- C60 H64 O2 -","- C240 H256 O8 -","4","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020386","14.0559","0.0014","24.827","0.002","12.3001","0.0012","90","","92.362","0.002","90","","4288.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 F3 O5 S -","- C47 H55 F3 O5 S -","- C188 H220 F12 O20 S4 -","4","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020387","14.013","0.002","13.884","0.002","12.1079","0.0018","90","","120.106","0.002","90","","2037.9","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H21 Br Cl3 N O Pd -","- C16 H21 Br Cl3 N O Pd -","- C64 H84 Br4 Cl12 N4 O4 Pd4 -","4","1","","Ke Yuan; Ting Ke Zhang; Xue Long Hou","","Journal of Organic Chemistry","2005","70","","6085","6088","10.1021/jo050491b","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020388","14.914","0.0013","8.475","0.0011","11.915","0.0006","90","0.005","102.592","0.006","90","0.01","1469.8","0.2","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","E,E-2,3,4,5-Tetrabromo-1,4-Bis- [2-(N-methyl-pyridininium)-vinyl]-benzene methylsulfate","","","- C24 H24 Br4 N2 O8 S2 -","- C24 H24 Br4 N2 O8 S2 -","- C48 H48 Br8 N4 O16 S4 -","2","0.5","","Christian B. Nielsen; Mette Johnsen; Jacob Arnbjerg; Michael Pittelkow; Sean P. McIlroy; Peter R. Ogilby; Mikkel Jørgensen","Synthesis and Characterization of Water-Soluble Phenylene-Vinylene-Based Singlet Oxygen Sensitizers for Two-Photon Excitation","Journal of Organic Chemistry","2005","70","","7065","7079","10.1021/jo050507y","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020389","8.1636","0.0013","8.7184","0.0014","10.1021","0.0016","79.409","0.004","74.124","0.004","81.613","0.004","676.31","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 N3 O5 P -","- C11 H14 N3 O5 P -","- C22 H28 N6 O10 P2 -","2","1","","Diana S. Stoianova; Alan Whitehead; Paul R. Hanson","P-Heterocyclic Building Blocks: Application to the Stereoselective Synthesis of P-Sugars.","Journal of Organic Chemistry","2005","70","","5880","5889","10.1021/jo0505122","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020390","10.7925","0.0016","11.2104","0.0017","15.047","0.002","90","","90","","90","","1820.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O5 S -","- C17 H26 N2 O5 S -","- C68 H104 N8 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020391","9.8902","0.0013","10.0941","0.0013","23.188","0.003","90","","90","","90","","2314.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N4 O5 S -","- C21 H32 N4 O5 S -","- C84 H128 N16 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020392","11.476","0.002","14.104","0.002","14.63","0.002","90","","90","","90","","2367.9","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N4 O6 S -","- C21 H34 N4 O6 S -","- C84 H136 N16 O24 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020393","9.6126","0.0006","25.343","0.0017","8.5716","0.0006","90","","107.937","0.001","90","","1986.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020394","11.7418","0.0012","7.5791","0.0007","25.423","0.003","90","","97.206","0.002","90","","2244.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C100 H104 N8 O16 S4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020395","7.9459","0.0015","10.902","0.002","12.047","0.002","96.386","0.003","94.215","0.004","95.746","0.004","1028.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C48 H42 N2 O8 S2 -","2","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020396","10.626","0.0016","20.419","0.003","9.0204","0.0012","90","","108.971","0.003","90","","1850.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N2 -","- C22 H25 Cl N2 -","- C88 H100 Cl4 N8 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020397","12.1159","0.0012","11.3755","0.0011","10.6198","0.001","90","","95.253","0.002","90","","1457.5","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020398","9.2246","0.0008","11.634","0.0011","14.77","0.0014","90","","91.058","0.002","90","","1584.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020399","12.5015","0.0008","35.409","0.002","14.2168","0.001","90","","110.7","0.008","90","","5887.1","0.7","200","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C59 H75 N3 O4 S5 -","- C59 H73 N3 O4 S5 -","- C236 H292 N12 O16 S20 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020400","12.9144","0.0009","23.419","0.0013","38.574","0.003","90","","90","","90","","11666.4","1.4","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C117 H149 Cl2 N5 O8 S8 -","- C117 H128 Cl2 N5 O8 S8 -","- C468 H512 Cl8 N20 O32 S32 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020401","8.047","0.002","8.266","0.002","10.044","0.003","101.308","0.004","106.61","0.004","113.598","0.004","548.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Li2 O4 S2 -","- C20 H30 Li2 O4 S2 -","- C20 H30 Li2 O4 S2 -","1","0.5","","Kevin L. Jantzi; Craig L. Puckett; Ilia A. Guzei; Hans J. Reich","Solution Structure and Chelation Properties of 2-Thienyllithium Reagents","Journal of Organic Chemistry","2005","70","","7520","7529","10.1021/jo050592+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020402","4.354","0.004","22.74","0.02","12.12","0.01","90","","105.022","0.008","90","","1159","1.8","296.2","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Yoshihito Ueno; Takumi Kato; Kumiko Sato; Yasutomo Ito; Mahito Yoshida; Takumi Inoue; Aya Shibata; Masahiro Ebihara; Yukio Kitade","Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone","Journal of Organic Chemistry","2005","70","","7925","7935","10.1021/jo050635m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020403","8.4023","0.0002","16.1062","0.0004","17.4221","0.0006","90","","90","","90","","2357.72","0.11","150","","150","","","","","","","","","3","P n a a","-P 2ac 2bc","56","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","1","","Jeremy Robertson; Petra M. Stafford; Stephen J. Bell","Silatropic Carbonyl Ene Cyclizations in the Synthesis of Pseudosugars and Hydroxylated Piperidines","Journal of Organic Chemistry","2005","70","","7133","7148","10.1021/jo050644v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020404","11.4814","0.0001","36.1664","0.0005","14.6605","0.0002","90","","99.361","0.001","90","","6006.57","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 F10 N6 O5 -","- C55 H81 F10 N6 O4 -","- C220 H324 F40 N24 O16 -","4","1","","Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez","","Journal of Organic Chemistry","2005","70","","5982","5986","10.1021/jo050662c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020405","13.6372","0.0002","17.3214","0.0002","21.0872","0.0003","65.928","0.001","85.442","0.001","81.976","0.001","4502.01","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 Cl F8 N5 -","- C44 H64 Cl F8 N5 -","- C176 H256 Cl4 F32 N20 -","4","2","","Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez","","Journal of Organic Chemistry","2005","70","","5982","5986","10.1021/jo050662c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020406","7.828","0.001","14.7948","0.0018","20.827","0.003","90","","96.982","0.002","90","","2394.2","0.5","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N6 S2 -","- C27 H22 N6 S2 -","- C108 H88 N24 S8 -","4","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020407","7.3216","0.0013","21.448","0.004","28.651","0.005","90","","90","","90","","4499.2","1.4","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N6 S2 -","- C25 H18 N6 S2 -","- C200 H144 N48 S16 -","8","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020408","9.8636","0.0015","10.2583","0.0016","10.4084","0.0016","99.58","0.003","107.887","0.003","115.446","0.002","848.7","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","15d","","","- C16 H16 N6 S2 -","- C16 H16 N6 S2 -","- C32 H32 N12 S4 -","2","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020409","6.8229","0.0008","15.473","0.0017","18.734","0.002","90","","90","","90","","1977.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O9 -","- C19 H27 N O9 -","- C76 H108 N4 O36 -","4","1","","Jhimli Sengupta; Ranjan Mukhopadhyay; Anup Bhattacharjya; Mohan M. Bhadbhade; Gaurav V. Bhosekar","Synthesis and Intramolecular Nitrile Oxide Cycloaddition of 3,5'-Ether-Linked Pseudooligosaccharide Derivatives: An Approach to Chiral Macrooxacycles","Journal of Organic Chemistry","2005","70","","8579","8582","10.1021/jo050689w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020410","11.9781","0.0011","12.6453","0.0011","12.747","0.0011","91.735","0.002","99.01","0.002","104.966","0.002","1837.2","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H28 F6 N2 S2 -","- C45 H28 F6 N2 S2 -","- C90 H56 F12 N4 S4 -","2","1","","Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko","Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units","Journal of Organic Chemistry","2005","70","","8291","8297","10.1021/jo050710t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020411","11.5153","0.0008","13.6718","0.001","15.2276","0.0011","109.756","0.001","105.981","0.001","102.121","0.002","2043.8","0.3","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F6 N2 O S2 -","- C46 H28 F6 N2 O S2 -","- C92 H56 F12 N4 O2 S4 -","2","1","","Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko","Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units","Journal of Organic Chemistry","2005","70","","8291","8297","10.1021/jo050710t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020412","7.2972","0.0006","8.6769","0.0007","9.8312","0.0012","114.432","0.002","111.244","0.002","92.708","0.002","513.78","0.09","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","1","1","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020413","9.0037","0.0004","23.3605","0.001","10.2352","0.0005","90","","105.384","0.001","90","","2075.64","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C108 H96 Fe4 N8 -","4","2","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020414","14.3192","0.0008","14.3192","0.0008","27.995","0.002","90","","90","","120","","4971.1","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C168 H192 N18 O75 -","- C168 H186 N18 O75.06 -","- C168 H186 N18 O75.06 -","1","0.0555556","","Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer","Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties","Journal of Organic Chemistry","2005","70","","6027","6033","10.1021/jo050717a","","","","","","","","","","0.2175","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020415","12.4354","0.0005","12.1584","0.0003","17.9173","0.0008","90","","95.922","0.002","90","","2694.54","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O9 -","- C28 H25 N3 O9 -","- C112 H100 N12 O36 -","4","1","","Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer","Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties","Journal of Organic Chemistry","2005","70","","6027","6033","10.1021/jo050717a","","","","","","","","","","0.1512","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020416","9.792","0.004","10.144","0.005","22.818","0.014","90","","90","","90","","2266.5","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","FLAMANT021","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","1","","Sukeerthi Kumar; Céline Flamant-Robin; Qian Wang; Angèle Chiaroni; N. André Sasaki","","Journal of Organic Chemistry","2005","70","","5946","5953","10.1021/jo050736k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020417","8.142","0.005","10.888","0.005","14.672","0.005","95.894","0.005","99.268","0.005","102.143","0.005","1242.3","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O15 -","- C22 H28 O15 -","- C44 H56 O30 -","2","1","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020418","8.062","0.005","10.868","0.005","13.771","0.005","104.681","0.005","90.614","0.005","102.133","0.005","1138.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 Cl2 O12 -","- C21 H24 Cl2 O12 -","- C42 H48 Cl4 O24 -","2","1","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020419","19.741","0.0015","9.546","0.0009","13.3","0.0011","90","","96.51","0.007","90","","2490.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 O14 -","- C23 H30 O14 -","- C92 H120 O56 -","4","0.5","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020420","9.87","0.003","13.506","0.004","21.404","0.006","90","","90","","90","","2853.2","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H47 N3 O4 -","- C24 H47 N3 O4 -","- C96 H188 N12 O16 -","4","1","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020421","23.472","0.009","15.475","0.004","19.37","0.004","90","","125.82","0.02","90","","5705","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H45 N3 O5 -","- C25 H45 N3 O5 -","- C200 H360 N24 O40 -","8","2","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020422","10.3139","0.0009","16.569","0.002","22.171","0.003","83.097","0.004","79.186","0.004","77.884","0.004","3625.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 N12 O18 -","- C66 H78 N10 O16 -","- C132 H156 N20 O32 -","2","1","","Amanda J. Gallant; Joseph K.-H. Hui; Federico E. Zahariev; Yan Alexander Wang; Mark J. MacLachlan","Synthesis, Structure, and Computational Studies of Soluble Conjugated Multidentate Macrocycles","Journal of Organic Chemistry","2005","70","","7936","7946","10.1021/jo050742g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020423","7.109","0.002","9.531","0.002","13.161","0.003","80.08","0.02","83.7","0.02","85.63","0.02","871.5","0.4","298.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C36 H38 N2 O8 S2 -","2","1","","Shengming Ma; Zhenhua Gu; Zhanqian Yu","","Journal of Organic Chemistry","2005","70","","6291","6294","10.1021/jo0507441","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020424","16.8651","0.0017","8.9696","0.001","7.6142","0.0008","90","","90","","90","","1151.8","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","0.5","","Shengming Ma; Zhenhua Gu; Zhanqian Yu","","Journal of Organic Chemistry","2005","70","","6291","6294","10.1021/jo0507441","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020425","5.9105","0.0005","9.4071","0.0008","27.0869","0.0019","90","","94.813","0.007","90","","1500.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O5 S2 -","- C31 H38 N2 O5 S2 -","- C62 H76 N4 O10 S4 -","2","1","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020426","11.7597","0.0009","12.5439","0.0008","13.2635","0.0009","108.493","0.006","102.329","0.006","107.814","0.006","1658.7","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H47 N O3 S2 -","- C32 H47 N O3 S2 -","- C64 H94 N2 O6 S4 -","2","2","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020427","8.201","0.0002","12.235","0.0003","35.164","0.0011","90","","90","","90","","3528.33","0.16","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N6 O4 S2 -","- C15 H18 N6 O4 S2 -","- C120 H144 N48 O32 S16 -","8","1","","Regis Leung-Toung; Tim F. Tam; Yanqing Zhao; Craig D. Simpson; Wanren Li; Denis Desilets; Khashayar Karimian","","Journal of Organic Chemistry","2005","70","","6230","6241","10.1021/jo0507486","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020428","9.71","0.003","10.824","0.002","21.069","0.008","90","","90","","90","","2214.4","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020429","7.636","0.002","10.547","0.004","15.442","0.007","80.12","0.04","79.42","0.03","68.96","0.03","1133.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","2","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020430","10.464","0.004","10.343","0.003","10.866","0.006","90","","93.45","0.04","90","","1173.9","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020431","7.781","0.003","24.48","0.011","10.034","0.004","90","","90","","90","","1911.3","1.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020432","10.9502","0.0002","9.038","0.0002","11.4961","0.0002","90","","91.385","0.001","90","","1137.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020433","12.445","0.003","10.28","0.003","12.701","0.003","90","","111","0.02","90","","1517","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H45 N O3 Si -","- C29.982 H45 N O3 Si -","- C59.964 H90 N2 O6 Si2 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020434","9.98","0.002","10.189","0.005","10.21","0.003","96.32","0.03","113.03","0.02","105.45","0.03","893.7","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","1","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020435","5.7176","0.0009","10.4131","0.0015","17.571","0.003","90","","96.229","0.013","90","","1040","0.3","296","2","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 O8 P -","- C18 H25 O8 P -","- C36 H50 O16 P2 -","2","1","","Silvano Cruz-Gregorio; Mario Sánchez; Angel Clara-Sosa; Sylvain Bèrnes; Leticia Quintero; Fernando Sartillo-Piscil","Intramolecular Hydrogen Bonding (P=O‒H) Stabilizes the Chair Conformation of Six-Membered Ring Phosphates","Journal of Organic Chemistry","2005","70","","7107","7113","10.1021/jo050753+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020436","18.3858","0.0003","26.1493","0.0004","10.2794","0.0002","90","","90","","90","","4942.09","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C224 H240 N16 O24 -","8","2","","Gregory K. Friestad; Cristian Draghici; Mustapha Soukri; Jun Qin","","Journal of Organic Chemistry","2005","70","","6330","6338","10.1021/jo050756m","","","","","","","0.0644","","","0.1213","0.1285","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020437","5.9344","0.0002","24.3093","0.0009","9.4231","0.0004","90","","98.668","0.001","90","","1343.86","0.09","150.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","","Reema K. Thalji; Kateri A. Ahrendt; Robert G. Bergman; Jonathan A. Ellman","Annulation of Aromatic Imines via Directed C-H Bond Activation","Journal of Organic Chemistry","2005","70","","6775","6781","10.1021/jo050757e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020438","16.1589","0.0007","8.0433","0.0002","18.0403","0.0007","90","","93.164","0.001","90","","2341.14","0.15","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 6b","","","- C29 H20 Cl F N2 O2 -","- C29 H20 Cl F N2 O2 -","- C116 H80 Cl4 F4 N8 O8 -","4","1","","Kamal M. Dawood; Toshio Fuchigami","Electrolytic Partial Fluorination of Organic Compounds. Anodic Fluorination of Spiropyrazoline-5,3'-chroman-4-ones and Thiochromanone Analogues. A Route to Aroyl Fluoride Derivatives","Journal of Organic Chemistry","2005","70","","7537","7541","10.1021/jo0507587","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020439","12.859","0.001","14.567","0.002","14.729","0.002","90","","92.67","0.01","90","","2756","0.6","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C31 H20 Cl4 N2 O5 -","- C31 H20 Cl4 N2 O5 -","- C124 H80 Cl16 N8 O20 -","4","1","","Stéphanie Leroy-Lhez; Jérôme Baffreau; Lara Perrin; Eric Levillain; Magali Allain; María-Jesús Blesa; Piétrick Hudhomme","","Journal of Organic Chemistry","2005","70","","6313","6320","10.1021/jo050766n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020440","14.615","0.001","15.929","0.001","8.391","0.002","90","","90","","90","","1953.3","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 S -","- C23 H24 O2 S -","- C92 H96 O8 S4 -","4","1","","Chisato Mukai; Fuyuhiko Inagaki; Tatsunori Yoshida; Katsuya Yoshitani; Yasuyuki Hara; Shinji Kitagaki","Rh(I)-Catalyzed Pauson-Khand Reaction and Cycloisomerization of Allenynes: Selective Preparation of Monocyclic, Bicyclo[m.3.0], and Bicyclo[5.2.0] Ring Systems","Journal of Organic Chemistry","2005","70","","7159","7171","10.1021/jo050770z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020441","12.6369","0.0003","12.6369","0.0003","40.5962","0.0009","90","","90","","90","","6482.9","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C64 H94 Ca O16 -","- C64 H94 Ca O16 -","- C256 H376 Ca4 O64 -","4","0.5","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020442","13.427","0.003","20.167","0.004","13.818","0.003","90","","112.033","0.004","90","","3468.6","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H99 Cl4 Na O16 -","- C66.007 H98 Cl4 Na O16 -","- C132.014 H196 Cl8 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020443","5.7086","0.0003","13.0589","0.0007","15.2878","0.0008","90","","90","","90","","1139.68","0.1","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020444","35.331","0.003","10.4015","0.0008","8.7744","0.0007","90","","96.181","0.002","90","","3205.8","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020445","5.5546","0.0005","39.599","0.003","7.3808","0.0006","90","","98.301","0.002","90","","1606.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020446","11.699","0.008","17.054","0.01","14.58","0.009","90","","107.79","0.016","90","","2770","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 N O3 Si -","- C30 H33 N O3 Si -","- C120 H132 N4 O12 Si4 -","4","2","","Cristóbal de los Ríos; Louis S. Hegedus","","Journal of Organic Chemistry","2005","70","","6541","6543","10.1021/jo050813b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020447","7.2232","0.0008","7.5093","0.0009","7.8888","0.0009","107.757","0.002","103.321","0.002","115.075","0.002","335.49","0.07","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C12 H12 N4 O6 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:47",""
"4020448","8.714","0.001","25.943","0.003","11.641","0.002","90","","90.931","0.002","90","","2631.3","0.6","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C120 H128 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020449","7.972","0.001","8.15","0.001","12.401","0.002","85.164","0.004","88.471","0.004","71.878","0.004","763.02","0.18","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O8 -","- C14 H18 N2 O8 -","- C28 H36 N4 O16 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020450","11.937","0.002","7.5972","0.0009","16.739","0.002","90","","110.521","0.005","90","","1421.7","0.3","110","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 O5 S -","- C32 H35 N3 O5 S -","- C64 H70 N6 O10 S2 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020451","8.976","0.003","8.976","0.003","17.269","0.005","90","","90","","120","","1204.9","0.7","150","2","","","","","","","","","","4","P 31","P 31","144","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C51 H48 N6 O18 -","3","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020452","15.0599","0.001","13.7053","0.001","10.3642","0.0009","90","","94.456","0.002","90","","2132.7","0.3","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020453","10.421","0.003","22.846","0.005","11.407","0.003","90","","114.904","0.004","90","","2463.2","1.1","150","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020454","12.689","0.002","16.874","0.002","26.23","0.004","90","","90","","90","","5616.2","1.4","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O7 -","- C29 H36 N2 O7 -","- C232 H288 N16 O56 -","8","2","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020455","11.0652","0.0013","14.1943","0.0019","13.049","0.002","90","","113.227","0.011","90","","1883.4","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Xiangshu Xiao; Mark Cushman","","Journal of Organic Chemistry","2005","70","","6496","6498","10.1021/jo050831t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020456","9.0715","0.0003","12.551","0.0005","17.8175","0.0007","90","","90","","90","","2028.64","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C72 H132 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020457","6.325","0.0007","10.4854","0.0016","24.049","0.004","90","","90","","90","","1594.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020458","11.466","0.002","13.3","0.003","12.444","0.003","90","","90.18","0.03","90","","1897.7","0.7","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C44 H52 O8 -","- C44 H52 O8 -","- C88 H104 O16 -","2","1","","Carmen Mateo; Concepción Pérez-Melero; Rafael Peláez; Manuel Medarde","","Journal of Organic Chemistry","2005","70","","6544","6547","10.1021/jo0508393","","","","","","","0.0629","","","0.1663","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020459","16.8495","0.001","4.0353","0.0003","14.816","0.0009","90","","94.338","0.007","90","","1004.5","0.11","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H7 Br2 N O2 -","- C9 H7 Br2 N O2 -","- C36 H28 Br8 N4 O8 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020460","8.9454","0.0001","10.6027","0.0002","22.6236","0.0003","90","","90","","90","","2145.74","0.05","213","2","213","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H12 Br4 O8 -","- C19.995 H12 Br4 O7.995 -","- C79.98 H48 Br16 O31.98 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020461","38.2555","0.001","4.6699","0.0001","14.6279","0.0004","90","","94.597","0.002","90","","2604.86","0.11","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br2 N2 O5 -","- C10 H10 Br2 N2 O5 -","- C80 H80 Br16 N16 O40 -","8","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020462","17.7013","0.0007","6.9932","0.0003","16.8375","0.0006","90","","118.152","0.001","90","","1837.7","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F3 N3 -","- C9 H10 F3 N3 -","- C72 H80 F24 N24 -","8","2","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020463","7.4427","0.0001","14.1667","0.0002","16.6939","0.0003","90","","90","","90","","1760.18","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F3 N3 -","- C21 H18 F3 N3 -","- C84 H72 F12 N12 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020464","5.3233","0.0002","13.1981","0.0005","14.7664","0.0006","90","","96.62","0.02","90","","1030.53","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 F2 N3 O -","- C10 H13 F2 N3 O -","- C40 H52 F8 N12 O4 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020465","8.7228","0.0003","18.3386","0.0007","7.2367","0.0003","90","","99.587","0.002","90","","1141.44","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F2 N3 O -","- C11 H15 F2 N3 O -","- C44 H60 F8 N12 O4 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020466","13.5798","0.0018","14.1602","0.0019","17.503","0.002","91.381","0.002","94.924","0.002","98.849","0.002","3311","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020467","6.467","0.004","13.91","0.008","16.488","0.01","90.717","0.011","91.918","0.011","95.011","0.011","1476.6","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N4 O3 -","- C31 H42 N4 O3 -","- C62 H84 N8 O6 -","2","1","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020468","23.675","0.003","18.479","0.003","30.427","0.004","90","","100.69","0.003","90","","13081","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O3 -","- C23 H26 N4 O3 -","- C552 H624 N96 O72 -","24","6","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020469","12.065","0.009","13.786","0.01","14.428","0.01","98.58","0.03","108.43","0.02","100.28","0.02","2185","3","406","2","406","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O5 -","- C21 H24 N4 O5 -","- C84 H96 N16 O20 -","4","2","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020470","11.1268","0.0011","11.8072","0.0012","13.0058","0.0013","112.48","0.002","108.985","0.002","97.156","0.002","1431","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 I O4 -","- C14 H13 I O4 -","- C56 H52 I4 O16 -","4","2","","Shengming Ma; Lianghua Lu","An Efficient Stereoselective Synthesis of 4,5-trans-1,5-cis-3-Oxabicyclo[3.1.0]hexan-2-ones via the Iodolactonization of Alkylidenecyclopropyl Esters","Journal of Organic Chemistry","2005","70","","7629","7633","10.1021/jo050878e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020471","12.1972","0.0014","8.5235","0.001","15.2518","0.0018","90","","96.356","0.002","90","","1575.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 I O4 Si -","- C12 H19 I O4 Si -","- C48 H76 I4 O16 Si4 -","4","1","","Shengming Ma; Lianghua Lu","An Efficient Stereoselective Synthesis of 4,5-trans-1,5-cis-3-Oxabicyclo[3.1.0]hexan-2-ones via the Iodolactonization of Alkylidenecyclopropyl Esters","Journal of Organic Chemistry","2005","70","","7629","7633","10.1021/jo050878e","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020472","9.1492","0.0004","10.8893","0.0004","13.6216","0.0006","69.105","0.003","79.378","0.003","71.933","0.003","1201.18","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C50 H64 N4 O12 -","2","1","","Albert Padwa; Scott K. Bur; Hongjun Zhang","Sequential Aminodiene Diels-Alder Approach to the Ergoline Skeleton","Journal of Organic Chemistry","2005","70","","6833","6841","10.1021/jo0508797","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020473","9.2284","0.0016","8.5326","0.0014","10.1189","0.0016","90","","116.292","0.004","90","","714.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Chad D. Hopkins; Lisa Guan; Helena C. Malinakova","Regiocontrolled, Palladium-Catylized Bisfuntionalization of Allenyl Esters. Multi-Component Coupling Approaches to Highly Substituted α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2005","70","","6848","6862","10.1021/jo050886v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020474","10.1647","0.0003","10.1944","0.0003","67.375","0.002","90","","90","","90","","6981.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O8 -","- C23.3333 H28.3333 O8.83333 -","- C280 H340 O106 -","12","3","","Chaomin Li; John A. Porco, Jr.","Synthesis and NF-kB Inhibition of the Anti-Angiogenesis Agent(+) -Epoxyquinol A and Related Molecules","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020475","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","823","1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020476","8.007","0.0016","10.307","0.002","41.274","0.008","90","","90","","90","","3406.4","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 Br2 O11 -","- C38 H26 Br2 O11 -","- C152 H104 Br8 O44 -","4","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020477","14.3118","0.0012","7.8572","0.0007","14.4216","0.0012","90","","114.959","0.002","90","","1470.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 Cl3 O8 Si -","- C27 H33 Cl3 O8 Si -","- C54 H66 Cl6 O16 Si2 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020478","10.216","0.002","11.299","0.002","19.715","0.004","90","","90","","90","","2275.7","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O7 -","- C27 H26 O7 -","- C108 H104 O28 -","4","1","","Chaomin Li; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020479","11.609","0.002","14.989","0.003","7.186","0.0014","90","","93.828","0.004","90","","1247.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 O2 P -","- C13 H19 O2 P -","- C52 H76 O8 P4 -","4","1","","Susana López-Cortina; Danute I. Basiulis; Kenneth L. Marsi; Miguel Angel Muñoz-Hernández; Mario Ordoñez; Mario Fernández-Zertuche","Synthesis of New 1,3-Oxaphosphorinanium Salts. Stereochemistry of Hydroxide-Induced Displacement of Methoxide Ion","Journal of Organic Chemistry","2005","70","","7473","7478","10.1021/jo050901w","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020480","14.698","0.002","11.72","0.001","7.3105","0.0007","90","","97.916","0.009","90","","1247.3","0.2","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Mingjin Fan; Zeyi Yan; Weimin Liu; Yongmin Liang","DABCO-Catalyzed Reaction of α-Halo Carbonyl Compounds with Dimethyl Acetylenedicarboxylate: A Novel Method for the Preparation of Polysubstituted Furans and Highly Functionalized 2H-Pyrans","Journal of Organic Chemistry","2005","70","","8204","8207","10.1021/jo050903g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020481","7.468","0.002","19.811","0.005","14.249","0.004","90","","96.801","0.004","90","","2093.2","1","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","1","","Mingjin Fan; Zeyi Yan; Weimin Liu; Yongmin Liang","DABCO-Catalyzed Reaction of α-Halo Carbonyl Compounds with Dimethyl Acetylenedicarboxylate: A Novel Method for the Preparation of Polysubstituted Furans and Highly Functionalized 2H-Pyrans","Journal of Organic Chemistry","2005","70","","8204","8207","10.1021/jo050903g","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020482","5.7312","0.0003","8.9039","0.0005","37.933","0.002","90","","90","","90","","1935.74","0.19","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020483","10.0747","0.0012","14.7392","0.0018","10.136","0.0012","90","","97.14","0.003","90","","1493.5","0.3","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020484","13.7371","0.0007","8.9665","0.0005","32.7695","0.0017","90","","99.261","0.001","90","","3983.7","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18.5 Cl2 N3.5 Zn -","- C19 H18.5 Cl2 N3.5 Zn -","- C152 H148 Cl16 N28 Zn8 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020485","8.9367","0.0007","5.8108","0.0004","19.5331","0.0015","90","","92.8","0.002","90","","1013.13","0.13","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C54 H46 N2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020486","12.8987","0.0009","15.5092","0.001","13.2871","0.0009","90","","115.029","0.003","90","","2408.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 N2 O5 S -","- C27 H26 N2 O5 S -","- C108 H104 N8 O20 S4 -","4","2","","Cody Timmons; Li Guo; Junying Liu; John F. Cannon; Guigen Li","Asymmetric Halo-Mannich-Type Reaction Provides Access to Pyrrolidines and -Proline Derivatives","Journal of Organic Chemistry","2005","70","","7634","7639","10.1021/jo0509051","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020487","17.118","0.003","12.253","0.003","10.721","0.002","90","","105.56","0.03","90","","2166.4","0.7","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Robin A. Weatherhead-Kloster; Hugh D. Selby; Walter B. Miller III; Eugene A. Mash","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 6. Studies of the Hydrogen-Bond Association of Cyclo[(2-methylamino-4,7-dimethoxyindan-2-carboxylic acid) (2-amino-4,7-dimethoxyindan-2-carboxylic acid)]","Journal of Organic Chemistry","2005","70","","8693","8702","10.1021/jo0509096","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020488","9.5534","0.0016","12.199","0.002","19.099","0.003","90","","91.436","0.004","90","","2225.2","0.6","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Robin A. Weatherhead-Kloster; Hugh D. Selby; Walter B. Miller III; Eugene A. Mash","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 6. Studies of the Hydrogen-Bond Association of Cyclo[(2-methylamino-4,7-dimethoxyindan-2-carboxylic acid) (2-amino-4,7-dimethoxyindan-2-carboxylic acid)]","Journal of Organic Chemistry","2005","70","","8693","8702","10.1021/jo0509096","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020489","20.49","0.01","21.137","0.006","11.439","0.003","90","","90","","90","","4953","3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 O P -","- C30 H27 O P -","- C240 H216 O8 P8 -","8","1","","Kimihiro Komeyama; Tomonori Kawabata; Katsuomi Takehira; Ken Takaki","Rare-Earth Silylamide-Catalyzed Selective Dimerization of Terminal Alkynes and Subsequent Hydrophosphination in One Pot","Journal of Organic Chemistry","2005","70","","7260","7266","10.1021/jo0509206","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020490","9.6976","0.0019","10.401","0.002","14.886","0.003","74.6","0.03","85.88","0.03","80.69","0.03","1427.8","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C60 H92 O14 -","2","2","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020491","9.5506","0.0019","13.846","0.003","20.022","0.004","90","","90","","90","","2647.6","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020492","18.322","0.012","8.456","0.005","16.45","0.01","90","","114.74","0.02","90","","2314.7","2.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","diaF4-(15R,17S)","","","- C28 H36 N2 -","- C28 H36 N2 -","- C112 H144 N8 -","4","1","","Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano","New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium","Journal of Organic Chemistry","2005","70","","7780","7783","10.1021/jo050937o","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020493","12.066","0.006","16.939","0.008","12.505","0.006","90","","115.22","0.02","90","","2312.2","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diaF3-(15R,17R)","","","- C28 H36 N2 -","- C28 H36 N2 -","- C112 H144 N8 -","4","1","","Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano","New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium","Journal of Organic Chemistry","2005","70","","7780","7783","10.1021/jo050937o","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020494","9.3064","0.0002","31.7893","0.0006","16.7359","0.0004","90","","96.432","0.001","90","","4920.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 N10 O8 -","- C46 H62 N10 O8 -","- C184 H248 N40 O32 -","4","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020495","9.31","0.0006","13.8731","0.0003","17.3108","0.0012","106.925","0.003","101.196","0.003","96.105","0.003","2066.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H52 N8 O8 -","- C41 H52 N8 O8 -","- C82 H104 N16 O16 -","2","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020496","12.7343","0.0001","23.3747","0.0003","19.9727","0.0003","90","","94.989","0.001","90","","5922.56","0.13","120","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N12 O12 -","- C54 H84 N12 O12 -","- C216 H336 N48 O48 -","4","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020497","11.0669","0.0017","13.257","0.002","22.029","0.003","90","","90","","90","","3232.1","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 N2 O3 -","- C38 H44 N2 O3 -","- C152 H176 N8 O12 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020498","5.6118","0.0019","16.53","0.006","9.846","0.003","90","","98.642","0.006","90","","903","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020499","13.18","0.03","16.3","0.04","8.618","0.019","90","","90","","90","","1852","7","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020500","23.604","0.004","23.604","0.004","13.515","0.003","90","","90","","90","","7530","2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C10 H15 Cl O -","- C10 H15 Cl O -","- C320 H480 Cl32 O32 -","32","2","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020501","32.987","0.007","6.8136","0.0013","22.424","0.005","90","","111.084","0.016","90","","4702.6","1.7","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 O4 S -","- C11 H18 O4 S -","- C176 H288 O64 S16 -","16","2","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020502","12.1189","0.0013","14.4813","0.0015","15.04","0.0016","80.519","0.009","78.775","0.009","67.896","0.008","2386.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 O4 S -","- C11 H18 O4 S -","- C88 H144 O32 S8 -","8","4","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020503","8.355","0.002","11.4931","0.0012","10.8936","0.0013","90","","90.204","0.015","90","","1046.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020504","24.277","0.005","10.13","0.002","9.365","0.002","90","","105.93","0.03","90","","2214.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020505","24.44","0.005","9.935","0.002","9.545","0.002","90","","107.67","0.03","90","","2208.3","0.9","283","2","283","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","jr08","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020506","13.2845","0.0006","7.8086","0.0004","15.4619","0.0007","90","","101.82","0.001","90","","1569.9","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O5 -","- C15 H17 Cl2 N O5 -","- C60 H68 Cl8 N4 O20 -","4","1","","Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6474","6483","10.1021/jo050956y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020507","7.2933","0.001","8.2345","0.0012","24.418","0.003","90","","90","","90","","1466.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C64 H60 N12 O20 -","4","1","","Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6474","6483","10.1021/jo050956y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020508","9.4064","0.0008","11.4106","0.0008","12.0893","0.001","90","","97.524","0.007","90","","1286.4","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N O3 S -","- C14 H18 N O3 S -","- C56 H72 N4 O12 S4 -","4","1","","William J. Layman, Jr.; Thomas D. Greenwood; Aaron L. Downey; James F. Wolfe","Synthesis of 2H-1,2-Benzothiazine 1,1-Dioxides via Heteroannulation Reactions of 2-Iodobenzenesulfonamide with Ketone Enolates under S~RN1~ Conditions","Journal of Organic Chemistry","2005","70","","9147","9155","10.1021/jo050964e","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020509","17.464","0.0011","12.6256","0.0008","22.5394","0.0014","90","","90","","90","","4969.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cl I O -","- C30 H22 Cl I O -","- C240 H176 Cl8 I8 O8 -","8","1","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020510","14.7037","0.0016","16.0224","0.0018","20.793","0.002","90","","91.795","0.002","90","","4896.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl I O -","- C28 H26 Cl I O -","- C224 H208 Cl8 I8 O8 -","8","2","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020511","9.1952","0.0011","6.1777","0.0008","15.0039","0.0018","90","","93.846","0.002","90","","850.38","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","C. V. Ramana; Burgula Srinivas; Vedavati G. Puranik; Mukund K. Gurjar","A Carbohydrate-Based Approach for the Total Synthesis of 1,3-Polyol/α-Pyrone Antifungal Natural Products","Journal of Organic Chemistry","2005","70","","8216","8219","10.1021/jo050972v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020512","10.1483","0.0002","10.726","0.0002","12.8232","0.0003","87.0184","0.0007","68.2598","0.0008","74.9384","0.0008","1250.5","","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H39 N O7 Si -","- C21 H39 N O7 Si -","- C42 H78 N2 O14 Si2 -","2","1","","Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead","A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline","Journal of Organic Chemistry","2005","70","","7297","7304","10.1021/jo050977s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020513","7.9433","0.0004","11.9029","0.0006","14.884","0.0009","72.988","0.002","85.3368","0.0019","80.459","0.004","1326.3","","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 N O6 Si -","- C22 H41 N O6 Si -","- C44 H82 N2 O12 Si2 -","2","1","","Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead","A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline","Journal of Organic Chemistry","2005","70","","7297","7304","10.1021/jo050977s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020514","9.164","0.002","13.079","0.004","34.4","0.009","90","","90","","90","","4122.8","1.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H28 O Si -","- C22 H28 O Si -","- C176 H224 O8 Si8 -","8","2","","Asunción Barbero; Yolanda Blanco; Francisco J. Pulido","Silylcuprates from Allene and Their Reaction with α,β-Unsaturated Nitriles and Imines. Synthesis of Silylated Oxo Compounds Leading to Cyclopentane and Cycloheptane Ring Formation","Journal of Organic Chemistry","2005","70","","6876","6883","10.1021/jo0509814","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020515","40.563","0.007","6.287","0.001","18.84","0.003","90","","93.912","0.005","90","","4793","1","100.4","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Cl N O2 -","- C24 H40 Cl N O2 -","- C192 H320 Cl8 N8 O16 -","8","1","","Caroline Roche; Katarína Kadlečíková; Amaël Veyron; Philippe Delair; Christian Philouze; Andrew E. Greene; David Flot; Manfred Burghammer","New Asymmetric Approach to Natural Pyrrolizidines: Synthesis of (+)-Amphorogynine A, (+)-Amphorogynine D, and (+)-Retronecine","Journal of Organic Chemistry","2005","70","","8352","8363","10.1021/jo050983o","","","","","","","","","","","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4020516","27.38","0.05","8.847","0.012","22.82","0.04","90","","102.98","0.03","90","","5386.9","1.3","293.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 O2 -","- C35 H27 O2 -","- C280 H216 O16 -","8","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020517","11.85","0.001","17.988","0.002","12.921","0.002","90","","113.523","0.003","90","","2525.3","0.5","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020518","11.467","0.0005","14.7091","0.0007","15.4076","0.0007","90","","91.6973","0.0008","90","","2597.7","0.2","223.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020519","9.0873","0.0003","35.735","0.001","9.6538","0.0003","90","","105.671","0.001","90","","3018.4","0.2","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 O2 -","- C41 H34 O2 -","- C164 H136 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020520","9.7136","0.0007","12.0508","0.0002","12.8856","0.0002","107.365","0.002","104.062","0.002","97.428","0.002","1362.9","0.1","223.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H30 O -","- C37 H30 O -","- C74 H60 O2 -","2","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020521","12.74","0.004","13.449","0.01","14.248","0.004","90","","115.2","0.02","90","","2209.02","","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020522","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020523","8.6162","0.001","22.137","0.003","12.4884","0.0014","90","","93.563","0.002","90","","2377.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22.5 H12.5 O S5.5 -","- C21.5 H12.5 O S5.5 -","- C86 H50 O4 S22 -","4","1","","Yu-Long Zhao; Qun Liu; Jing-Ping Zhang; Zhi-Qiang Liu","Heteroatom-Substituted Expanded Radialenes: One-Pot Synthesis and Characterization of Expanded 1,3-Dithiolane[n]radialenes","Journal of Organic Chemistry","2005","70","","6913","6917","10.1021/jo050993p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020524","6.58","0.005","19.219","0.015","12.656","0.01","90","","98.154","0.012","90","","1584","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 S -","- C17 H20 O4 S -","- C68 H80 O16 S4 -","4","1","","Yu-Rong Yang; Wei-Dong Z. Li","A Short Synthesis of 10-Hydroxy 7-Spirocyclopropanated Camphor","Journal of Organic Chemistry","2005","70","","8224","8227","10.1021/jo0509962","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020525","9.499","0.002","10.891","0.002","11.067","0.002","109.873","0.006","112.697","0.007","100.841","0.012","923.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 Cl2 O6 -","- C20 H14 Cl2 O6 -","- C40 H28 Cl4 O12 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020526","9.38","0.002","9.968","0.002","11.335","0.003","87.201","0.008","81.854","0.009","80.257","0.007","1033.7","0.4","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 Cl2 O4 -","- C23 H22 Cl2 O4 -","- C46 H44 Cl4 O8 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020527","10.061","0.002","13.094","0.002","15.974","0.003","90","","96.235","0.009","90","","2091.9","0.7","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 O5 -","- C23 H22 Cl2 O5 -","- C92 H88 Cl8 O20 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020528","10.553","0.004","14.93","0.006","8.221","0.003","90","","96.27","0.02","90","","1287.5","0.9","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O3 -","- C15 H13 Cl O3 -","- C60 H52 Cl4 O12 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020529","7.722","0.004","7.949","0.003","7.405","0.003","90","","91.783","0.017","90","","454.3","0.3","105","","105","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Br Cl O2 -","- C8 H8 Br Cl O2 -","- C16 H16 Br2 Cl2 O4 -","2","0.5","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020530","8.4475","0.001","11.312","0.002","21.111","0.004","93.876","0.006","98.152","0.006","107.681","0.006","1889.5","0.5","105","","105","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020531","9.871","0.002","13.157","0.003","19.747","0.006","82.266","0.012","77.781","0.013","71.274","0.015","2367.7","1","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O5 -","- C29 H28 O5 -","- C116 H112 O20 -","4","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020532","8.314","0.002","18.175","0.005","14.129","0.004","90","","91.634","0.011","90","","2134.1","1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O7 -","- C23 H23 N O7 -","- C92 H92 N4 O28 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020533","24.683","0.003","6.5797","0.001","18.174","0.002","90","","109.077","0.008","90","","2789.5","0.6","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C112 H152 B8 O32 -","8","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020534","11.72","0.004","10.93","0.004","19.726","0.01","90","","90.018","0.013","90","","2526.9","1.8","105","","105","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C124 H128 O24 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020535","6.992","0.002","7.916","0.002","7.998","0.002","94.751","0.01","94.535","0.01","96.537","0.014","436.5","0.2","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 B O4 -","- C8 H11 B O4 -","- C16 H22 B2 O8 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020536","19.7076","0.0011","14.2272","0.0008","23.536","0.0013","90","","90","","90","","6599.1","0.6","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C56 H68 I4 O24 -","- C56 H68 I4 O24 -","- C224 H272 I16 O96 -","4","1","","Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski","Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure","Journal of Organic Chemistry","2005","70","","6484","6491","10.1021/jo051010r","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020537","8.0018","0.0003","8.7268","0.0004","11.845","0.0005","91.4834","0.0007","107.912","0.0007","114.697","0.0007","703.56","0.05","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 I O7 -","- C12 H13 I O7 -","- C24 H26 I2 O14 -","2","1","","Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski","Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure","Journal of Organic Chemistry","2005","70","","6484","6491","10.1021/jo051010r","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020538","7.11","0.004","10.412","0.008","9.457","0.006","90","","110.29","0.05","90","","656.6","0.7","140","1","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 11","","","- C11 H15 N O4 S -","- C11 H14 N O4 S -","- C22 H28 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020539","13.754","0.004","8.069","0.002","8.041","0.0019","90","","99.81","0.02","90","","879.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 14","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C36 H42 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020540","11.567","0.001","13.101","0.001","13.604","0.002","90","","90","","90","","2061.6","0.4","273.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F3 N O2 -","- C23 H26 F3 N O2 -","- C92 H104 F12 N4 O8 -","4","1","","Hillary M. Peltier; Jonathan A. Ellman","N-Sulfinyl Metalloenamine Conjugate Additions: Asymmetric Synthesis of Piperidines","Journal of Organic Chemistry","2005","70","","7342","7345","10.1021/jo051020s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020541","9.365","0.0002","10.6994","0.0002","13.7621","0.0002","90","","90","","90","","1378.96","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-anisyl(t-butyl)methylphosphpine-borane","","","- C12 H22 B O P -","- C12 H22 B O P -","- C48 H88 B4 O4 P4 -","4","1","","Yukitoshi Takahashi; Yoshikazu Yamamoto; Kosuke Katagiri; Hiroshi Danjo; Kentaro Yamaguchi; Tsuneo Imamoto","P-Chiral o-Phosphinophenol as a P/O Hybrid Ligand: Preparation and Use in Cu-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Acyclic Enones","Journal of Organic Chemistry","2005","70","","9009","9012","10.1021/jo051034y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020542","5.9478","0.0012","8.3754","0.0017","17.855","0.004","90","","97.62","0.03","90","","881.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 S -","- C19 H28 O2 S -","- C38 H56 O4 S2 -","2","1","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020543","7.68","","25.48","","42.46","","90","","90","","90","","8308.8","","293","2","293","2","","","","","","","","5","C 2 c b","C -2ac 2","41","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C352 H368 N16 O96 S16 -","16","","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020544","11.565","0.002","19.428","0.004","22.298","0.005","90","","90","","90","","5010.2","1.7","293","2","293","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C25 H32 O4 S Si -","- C25 H32 O4 S Si -","- C200 H256 O32 S8 Si8 -","8","2","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020545","7.501","0.009","18.09","0.02","14.922","0.016","90","","101.72","0.01","90","","1983","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Br2 O2 -","- C20 H28 Br2 O2 -","- C80 H112 Br8 O8 -","4","1","","Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee","Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction","Journal of Organic Chemistry","2005","70","","7694","7700","10.1021/jo051082i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020546","14.229","0.017","10.299","0.012","22.84","0.02","90","","103.564","0.01","90.01","","3253","6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C144 H192 O24 -","8","2","","Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee","Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction","Journal of Organic Chemistry","2005","70","","7694","7700","10.1021/jo051082i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020547","7.339","0.002","8.269","0.003","21.022","0.005","90","","90","","90","","1275.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020548","5.018","0.0004","18.2276","0.0017","20.8563","0.0019","90","","90","","90","","1907.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020549","29.185","0.019","5.098","0.004","12.366","0.009","90","","90.209","0.016","90","","1840","2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020550","11.8865","0.0012","11.8865","0.0012","26.52","0.005","90","","90","","120","","3245","0.8","193","2","193","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H32 N2 O5 -","- C19 H32 N2 O5 -","- C114 H192 N12 O30 -","6","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020551","5.137","0.008","9.703","0.003","22.133","0.008","90","","90.55","0.07","90","","1103.2","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C44 H60 N4 O10 -","2","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020552","5.198","0.004","16.182","0.01","21.494","0.013","90","","90","","90","","1808","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N O8 -","- C15 H25 N O8 -","- C60 H100 N4 O32 -","4","1","","Juhienah K. Khalaf; Apurba Datta","Stereoselective Route to the Ezoaminuroic Acid Core of the Ezomycins","Journal of Organic Chemistry","2005","70","","6937","6940","10.1021/jo051086n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020553","6.8961","0.0004","14.1021","0.0008","20.3417","0.0014","90","","90","","90","","1978.2","0.2","203","2","203","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C72 H96 N16 O32 -","8","1","","Stefan Spange; Katja Hofmann; Bernhard Walfort; Tobias Rüffer; Heinrich Lang","Chiral 1,2- and 1,3-Diol-Functionalized Chromophores as Lego Building Blocks for Coupled Structures","Journal of Organic Chemistry","2005","70","","8564","8567","10.1021/jo051097g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020554","16.1527","0.0008","10.0182","0.0005","13.8856","0.0007","90","","103.591","0.001","90","","2184.06","0.19","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F12 N5 P2 S2 -","- C12 H17 F12 N5 P2 S2 -","- C48 H68 F48 N20 P8 S8 -","4","1","","Rosalice M. Silva; Mark D. Smith; James R. Gardinier","Unexpected New Chemistry of the Bis(thioimidazolyl)methanes","Journal of Organic Chemistry","2005","70","","8755","8763","10.1021/jo051101o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020555","13.5218","0.001","36.256","0.003","4.4236","0.0003","90","","90","","90","","2168.6","0.3","150","1","150","1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N4 S2 -","- C9 H12 N4 S2 -","- C72 H96 N32 S16 -","8","0.5","","Rosalice M. Silva; Mark D. Smith; James R. Gardinier","Unexpected New Chemistry of the Bis(thioimidazolyl)methanes","Journal of Organic Chemistry","2005","70","","8755","8763","10.1021/jo051101o","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020556","11.091","0.007","8.924","0.005","19.781","0.012","90","","101.359","0.011","90","","1919.4","1.9","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020557","16.5867","0.0017","44.319","0.006","5.7826","0.0006","90","","90","","90","","4250.8","0.8","110","2","110","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C224 H208 N16 -","8","0.5","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020558","9.708","0.002","15.97","0.004","11.254","0.003","90","","115.496","0.003","90","","1574.9","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020559","8.3751","0.0008","17.175","0.002","10.4335","0.0011","90","","116.652","0.004","90","","1341.3","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N3 O4 -","- C33 H31 N3 O4 -","- C66 H62 N6 O8 -","2","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020560","11.737","0.001","13.948","0.001","34.381","0.003","90","","90","","90","","5628.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H63 N6 O8.5 -","- C66 H62 N6 O8.5 -","- C264 H248 N24 O34 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020561","10.275","0.0006","16.361","0.001","17.474","0.001","90","","90","","90","","2937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O4 -","- C36 H35 N3 O4 -","- C144 H140 N12 O16 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020562","16.4847","0.0017","9.8989","0.001","17.918","0.0018","90","","104.615","0.002","90","","2829.3","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020563","14.9761","0.0003","19.5973","0.0004","9.6556","0.0002","90","","92.512","0.001","90","","2831.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C120 H104 Cl8 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020564","19.956","0.003","19.956","0.003","6.9569","0.001","90","","90","","90","","2770.6","0.7","203","2","203","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020565","5.6345","0.0004","8.6257","0.0006","14.7361","0.0009","96.644","0.002","91.487","0.002","93.364","0.001","709.77","0.08","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020566","10.463","0.0002","10.5394","0.0002","12.3151","0.0002","77.202","0.001","84.676","0.001","89.33","0.001","1318.53","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020567","19.1888","0.0003","10.3555","0.0002","13.0681","0.0001","90","","90","","90","","2596.76","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020568","5.519","0.0008","19.713","0.004","16.914","0.002","90","","98.725","0.007","90","","1818.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020569","10.014","0.008","8.875","0.007","12.341","0.009","90","","90.569","0.013","90","","1096.8","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","jrc1281m","","","- C24 H22 F N O5 -","- C24 H22 F N O5 -","- C48 H44 F2 N2 O10 -","2","1","","Lushi Tan; Nobuyoshi Yasuda; Naoki Yoshikawa; Frederick W. Hartner; Kan Kaung Eng; William R. Leonard; Fuh-Rong Tsay; Ralph P. Volante; Richard D. Tillyer","Stereoselective Syntheses of Highly Functionalized Bicyclo[3.1.0]hexanes: A General Methodology for the Synthesis of Potent and Selective mGluR2/3 Agonists","Journal of Organic Chemistry","2005","70","","8027","8034","10.1021/jo0511187","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020570","9.873","0.002","13.001","0.003","15.53","0.003","73.36","0.03","72.13","0.03","85.9","0.03","1817.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H30 Ag N3 O2 -","- C49.5 H30 Ag N3 O1.5 -","- C99 H60 Ag2 N6 O3 -","2","1","","Miłosz Pawlicki; Lechosław Latos-Grżyński","O-Confused Oxaporphyrin-An Intermediate in Formation of 3-Substituted 2-Oxa-21-Carbaporphyrins","Journal of Organic Chemistry","2005","70","","9123","9130","10.1021/jo051141s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020571","13.948","0.005","11.955","0.005","14.073","0.006","90","","95.826","0.009","90","","2334.5","1.6","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C88 H132 N4 O24 S4 -","4","2","","Indrajit Das; Tanmaya Pathak; Cheravakkattu G. Suresh","A Diastereoselective and General Route to 5-Amino-5-deoxysugars: Influence of C-3 Substitution on the Addition of Amines to C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates","Journal of Organic Chemistry","2005","70","","8047","8054","10.1021/jo051143c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020572","5.2721","0.0013","12.916","0.003","23.515","0.006","90","","90","","90","","1601.3","0.7","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Compound 14a","","","- C18 H14 Br Cl F N O -","- C18 H14 Br Cl F N O -","- C72 H56 Br4 Cl4 F4 N4 O4 -","4","1","","Michael C. Hillier; Jean-François Marcoux; Dalian Zhao; Edward J. J. Grabowski; Arlene E. McKeown; Richard D. Tillyer","Stereoselective Formation of Carbon-Carbon Bonds via S~N2~-Displacement: Synthesis of Substituted Cycloalkyl[b]indoles","Journal of Organic Chemistry","2005","70","","8385","8394","10.1021/jo051146p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020573","9.932","0.002","12.608","0.004","8.663","0.002","90","","90","","90","","1084.8","0.5","110","","110","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C40 H52 N4 O12 S4 -","4","1","","Ron W. Darbeau; Noe T. Alvarez; Gregory A. Trahan; Frank R. Fronczek","Investigating the Reaction of N-Carbobenzoxy-O-carbobenzoxy- hydroxylamine with Dimethyl Sulfoxide: Formation of S,S-Dimethyl-N-[(phenylmethoxy)- carbonyl]sulfoximine.","Journal of Organic Chemistry","2005","70","","9599","9602","10.1021/jo051158a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020574","5.9101","0.0004","14.4928","0.0014","17.659","0.002","90","","90","","90","","1512.6","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020575","6.037","0.002","7.533","0.002","30.403","0.005","90","","90","","90","","1382.6","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020576","7.9659","0.0014","10.1397","0.0015","18.36","0.004","90","","90","","90","","1483","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020577","9.8995","0.0003","10.8708","0.0004","12.4037","0.0004","80.6686","0.0015","78.7828","0.0016","84.5341","0.0015","1289.2","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N2 O6 P2 -","- C60 H58 N2 O6 P2 -","- C60 H58 N2 O6 P2 -","1","0.5","","Vanina V. Guidi; Zhou Jin; Devin Busse; William B. Euler; Brett L. Lucht","Bis(phosphine Imide)s: Easily Tunable Organic Electron Donors","Journal of Organic Chemistry","2005","70","","7737","7743","10.1021/jo051196u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020578","25.418","0.005","6.2412","0.0012","12.466","0.003","90","","90","","90","","1977.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C44 H44 O5 -","- C23 H19 O3 -","- C92 H76 O12 -","4","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020579","13.5422","0.0014","28.132","0.003","31.458","0.003","90","","90","","90","","11985","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H42 O15 S5 -","- C56 H38 O15 S5 -","- C448 H304 O120 S40 -","8","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020580","27.5495","0.0014","7.4365","0.0004","11.4908","0.0006","90","","95.919","0.001","90","","2341.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Br O3 -","- C28 H27 Br O3 -","- C112 H108 Br4 O12 -","4","1","","Peter Wipf; David L. Waller; Jonathan T. Reeves","Transition-Metal-Mediated Cascade Reactions: The Water-Accelerated Carboalumination-Claisen Rearrangement-Carbonyl Addition Reaction","Journal of Organic Chemistry","2005","70","","8096","8102","10.1021/jo051211v","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020581","18.052","0.003","5.7905","0.0009","10.1108","0.0017","90","","90","","90","","1056.9","0.3","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","9d","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Alan R. Katritzky; Ashraf A. A. Abdel-Fattah; Anna V. Gromova; Rachel Witek; Peter J. Steel","α-Nitro Ketone Synthesis Using N-Acylbenzotriazoles","Journal of Organic Chemistry","2005","70","","9211","9214","10.1021/jo051231x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020582","12.763","0.002","3.8089","0.0007","12.881","0.002","90","","104.416","0.018","90","","606.48","0.19","100","1","100","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br2 N2 O2 -","- C12 H8 Br2 N2 O2 -","- C24 H16 Br4 N4 O4 -","2","0.5","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020583","6.436","0.003","3.8375","0.0012","12.878","0.004","90","","104.65","0.03","90","","307.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H4 Br N O -","- C6 H4 Br N O -","- C12 H8 Br2 N2 O2 -","2","1","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020584","9.394","0.0007","11.7905","0.0009","15.6033","0.0013","89.384","0.002","73.265","0.001","89.838","0.001","1654.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Na dimer","","","- C28 H38 Na2 O16 S2 -","- C28 H38 Na2 O16 S2 -","- C56 H76 Na4 O32 S4 -","2","1","","Salvatore D. Lepore; Anjan K. Bhunia; Pamela Cohn","Arylsulfonate-Based Nucleophile Assisting Leaving Groups","Journal of Organic Chemistry","2005","70","","8117","8121","10.1021/jo051241y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020585","7.802","0.001","8.305","0.002","11.828","0.003","89.59","0.01","81.61","0.01","74.16","0.01","729","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Li N O2 -","- C14 H24 Li N O2 -","- C28 H48 Li2 N2 O4 -","2","1","","Gideon Fraenkel; Xiao Chen; Albert Chow; Judith C. Gallucci; Hua Liu","Internally Solvated Cyclopentadienyllithium Compounds: Structural Integrity of the Cp^-^Li^+^ Moiety. NMR, Dynamics, X-ray Crystallography, and Calculations","Journal of Organic Chemistry","2005","70","","9131","9138","10.1021/jo0512507","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020586","7.034","0.002","12.941","0.004","15.164","0.005","90","","98.235","0.005","90","","1366","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Takehiko Iida; Hiroki Satoh; Kenji Maeda; Yuhei Yamamoto; Ken-ichi Asakawa; Naotaka Sawada; Toshihiro Wada; Chie Kadowaki; Takahiro Itoh; Toshiaki Mase; Steven A. Weissman; Dave Tschaen; Shane Krska; R. P. Volante","Practical Synthesis of a Neuropeptide Y Antagonist via Stereoselective Addition to a Ketene","Journal of Organic Chemistry","2005","70","","9222","9229","10.1021/jo0512709","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020587","20.345","0.009","10.237","0.004","8.191","0.003","90","","107.27","0.02","90","","1629","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 O7 Te2 -","- C12 H24 O7 Te2 -","- C48 H96 O28 Te8 -","4","0.5","","Thomas G. Back; Dušan Kuzma; Masood Parvez","Aromatic Derivatives and Tellurium Analogues of Cyclic Seleninate Esters and Spirodioxyselenuranes That Act as Glutathione Peroxidase Mimetics","Journal of Organic Chemistry","2005","70","","9230","9236","10.1021/jo0512711","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020588","8.323","","25.216","","10.559","","90","","104.92","","90","","2141.3","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 O7 S -","- C26 H19 O7 S -","- C104 H76 O28 S4 -","4","1","","Asit Patra; Pallab Pahari; Sutapa Ray; Dipakranjan Mal","A Brief and Convergent Synthetic Route to Defucogilvocarcin M Chromophore: The Formal Synthesis of WS-5995 A and C","Journal of Organic Chemistry","2005","70","","9017","9020","10.1021/jo0512960","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020589","7.8941","0.001","15.213","0.002","27.777","0.004","90","","90","","90","","3335.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 O5 Si -","- C34 H50 O5 Si -","- C136 H200 O20 Si4 -","4","1","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020590","15.0425","0.0009","18.9412","0.0011","23.4689","0.0014","90","","90.167","0.002","90","","6686.8","0.7","273","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H50 O5 Si -","- C2.47273 H3.63636 O0.363636 Si0.0727273 -","- C272 H400 O40 Si8 -","110","55","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020591","9.946","0.002","10.576","0.002","12.964","0.003","90","","107.33","0.03","90","","1301.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 Se2 -","- C14 H14 O2 Se2 -","- C56 H56 O8 Se8 -","4","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020592","6.4768","0.0006","15.168","0.002","13.6745","0.0014","90","","90","","90","","1343.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 O2 Se -","- C7 H6 O2 Se -","- C56 H48 O16 Se8 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020593","10.9213","0.0016","11.6525","0.0015","9.3047","0.0012","90","","93.432","0.016","90","","1182","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","0.5","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020594","10.1688","0.0006","10.8693","0.0007","13.4716","0.0008","90","","104.885","0.001","90","","1439.02","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 Te2 -","- C14 H14 O2 Te2 -","- C56 H56 O8 Te8 -","4","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020595","24.144","0.002","8.0642","0.0007","8.0329","0.0007","90","","97.67","0.002","90","","1550","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 Te2 -","- C14 H12 Cl2 Te2 -","- C56 H48 Cl8 Te8 -","4","0.5","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020596","26.645","0.006","9.494","0.002","18.848","0.005","90","","135.036","0.003","90","","3369.2","1.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O4 Te2 -","- C16 H18 O4 Te2 -","- C128 H144 O32 Te16 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020597","8.044","0.002","8.412","0.002","13.015","0.003","90","","92.62","0.03","90","","879.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C34 H42 N2 O10 S2 -","2","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0406","","","0.1142","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020598","10.2987","0.0015","10.2987","0.0015","28.821","0.006","90","","90","","120","","2647.4","0.8","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C102 H126 N6 O30 S6 -","6","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0528","","","0.1416","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020599","51.13","0.016","10.331","0.003","13.379","0.004","90","","92.66","0.005","90","","7059","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 N O5 Si -","- C39 H45 N O5 Si -","- C312 H360 N8 O40 Si8 -","8","1","","Louis Morency; Louis Barriault","Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring","Journal of Organic Chemistry","2005","70","","8841","8853","10.1021/jo051318i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020600","8.3015","0.0018","11.127","0.003","15.551","0.003","90.438","0.004","104.188","0.004","104.02","0.004","1347.7","0.5","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O6 -","- C31 H38 O6 -","- C62 H76 O12 -","2","1","","Louis Morency; Louis Barriault","Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring","Journal of Organic Chemistry","2005","70","","8841","8853","10.1021/jo051318i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020601","8.5483","0.0011","11.9018","0.0015","20.47","0.003","90","","100.168","0.002","90","","2050","0.5","17","2","17","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C96 H88 N16 O12 -","4","1","","Yat Fan Suen; Håkon Hope; Michael H. Nantz; Makhluf J. Haddadin; Mark J. Kurth","A Novel Route to Fully Substituted 1H-Pyrazoles","Journal of Organic Chemistry","2005","70","","8468","8471","10.1021/jo051319a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020602","7.687","0.007","7.876","0.002","16.673","0.003","90","0.02","90","0.04","90","0.04","1009.4","1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C42 H46 N2 O16 -","2","1","","Yanmei Dong; Rui Li; Jun Lu; Xuenong Xu; Xinyan Wang; Yuefei Hu","An Efficient Kinetic Resolution of Racemic Betti Base Based on an Enantioselective N,O-Deketalization","Journal of Organic Chemistry","2005","70","","8617","8620","10.1021/jo051328j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020603","10.0106","0.0014","10.4397","0.0016","11.6615","0.0015","68.051","0.011","67.541","0.01","70.203","0.011","1017","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C40 H36 N4 O16 -","4","2","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020604","7.1832","0.0014","11.6551","0.0016","13.933","0.002","90","","100.988","0.016","90","","1145.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020605","4.7423","0.0008","15.197","0.003","21.35","0.004","90","","94.01","0.006","90","","1534.9","0.5","273","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020606","8.071","0.002","12.681","0.003","13.639","0.003","65.64","0.03","87.93","0.03","74.49","0.03","1221","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O7 -","- C26 H28 N2 O7 -","- C52 H56 N4 O14 -","2","1","","Samaresh Jana; Chandrani Guin; Subhas Chandra Roy","Radical Promoted Wagner-Meerwein-Type Rearrangement of Epoxides in Camphoric Systems Using a Ti(III) Radical Source","Journal of Organic Chemistry","2005","70","","8252","8254","10.1021/jo051338k","","","","","","","0.0914","","","0.2529","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020607","9.5136","0.0013","10.9065","0.0009","12.1105","0.0016","74.844","0.007","81.724","0.012","85.942","0.008","1199.5","0.3","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O9 -","- C25 H23 N3 O9 -","- C50 H46 N6 O18 -","2","1","","Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano","Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity","Journal of Organic Chemistry","2005","70","","8508","8512","10.1021/jo051348l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020608","7.633","0.0005","8.8059","0.0015","27.8722","0.0018","90","","90","","90","","1873.4","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O5 -","- C19 H20 Br N O5 -","- C76 H80 Br4 N4 O20 -","4","1","","Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano","Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity","Journal of Organic Chemistry","2005","70","","8508","8512","10.1021/jo051348l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020609","12.8627","0.0011","12.6794","0.001","14.6526","0.0012","90","","99.338","0.001","90","","2358","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020610","10.5574","0.0009","14.4038","0.0009","15.8173","0.0009","90","","90","","90","","2405.3","0.3","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","0.5","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020611","13.9305","0.0008","11.3566","0.0007","16.3281","0.0009","90","","108.007","0.001","90","","2456.6","0.2","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020612","13.0277","0.0017","21.343","0.003","8.96","0.0011","90","","97.245","0.003","90","","2471.5","0.5","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020613","8.876","0.003","15.261","0.005","12.078","0.004","90","","98.481","0.005","90","","1618.2","1","113.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020614","11.106","0.002","10.496","0.001","18.526","0.003","90","","104.256","0.006","90","","2093.2","0.4","193.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O2 S -","- C24 H27 N O2 S -","- C96 H108 N4 O8 S4 -","4","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020615","17.946","0.009","9.44","0.004","20.057","0.01","90","","95.968","0.006","90","","3379","2","193.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O S -","- C18 H21 N O S -","- C144 H168 N8 O8 S8 -","8","2","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020616","6.246","0.005","11.712","0.009","12.776","0.009","93.91","0.01","94.64","0.01","93.54","0.009","927","1","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O S -","- C21 H25 N O S -","- C42 H50 N2 O2 S2 -","2","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020617","29.217","0.003","54.471","0.005","6.1768","0.0006","90","","90","","90","","9830.2","1.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H29 N O3 Si -","- C28 H29 N O3 Si -","- C448 H464 N16 O48 Si16 -","16","1","","Christopher J. T. Hyland; Louis S. Hegedus","Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides","Journal of Organic Chemistry","2005","70","","8628","8630","10.1021/jo051385c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020618","9.9277","0.0011","11.5704","0.0012","13.2704","0.0014","79.483","0.002","87.858","0.002","72.576","0.002","1429.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl2 N O3 Si -","- C29 H31 Cl2 N O3 Si -","- C58 H62 Cl4 N2 O6 Si2 -","2","1","","Christopher J. T. Hyland; Louis S. Hegedus","Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides","Journal of Organic Chemistry","2005","70","","8628","8630","10.1021/jo051385c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020619","12.379","0.001","12.63","0.001","29.244","0.004","88.09","0.003","86.149","0.004","89.771","0.005","4559.6","0.8","250","2","250","2","","","","","","","","3","P -1","-P 1","2","Paquette 1326a","","","- C24 H34 O5 -","- C24 H34 O5 -","- C192 H272 O40 -","8","4","","Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci","Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates","Journal of Organic Chemistry","2005","70","","8154","8161","10.1021/jo0513919","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020620","14.199","0.001","15.373","0.001","15.704","0.002","115.918","0.003","90.979","0.003","107.241","0.005","2901.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Paquette 1304","","","- C31 H39 N O7 -","- C31 H39 N O7 -","- C124 H156 N4 O28 -","4","2","","Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci","Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates","Journal of Organic Chemistry","2005","70","","8154","8161","10.1021/jo0513919","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020621","12.74","0.004","13.449","0.01","14.248","0.004","90","","115.2","0.02","90","","2209.02","","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020622","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020623","22.229","0.009","5.344","0.002","27.376","0.011","90","","111.999","0.007","90","","3015","2","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Naphth[1,2-a]azulene","","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","","Kimiaki Yamamura; Shizuka Kawabata; Takatomo Kimura; Kazuo Eda; Masao Hashimoto","Novel Synthesis of Benzalacetone Analogues of Naphth[a]azulenes by Intramolecular Tropylium Ion-Mediated Furan Ring-Opening Reaction and X-ray Investigation of a Naphth[1,2-a]azulene Derivative","Journal of Organic Chemistry","2005","70","","8902","8906","10.1021/jo051409f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020624","5.699","0.004","11.841","0.007","16.163","0.011","72.666","0.013","89.879","0.012","88.608","0.015","1040.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H4 Cl2 N2 S2 -","- C8 H4 Cl2 N2 S2 -","- C32 H16 Cl8 N8 S8 -","4","2","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020625","5.6712","0.0007","8.6976","0.0011","12.308","0.0015","96.964","0.002","90.165","0.003","90.255","0.003","602.61","0.13","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl3 N O2 S -","- C10 H6 Cl3 N O2 S -","- C20 H12 Cl6 N2 O4 S2 -","2","1","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020626","13.913","0.006","8.713","0.004","26.063","0.012","90","","102.622","0.009","90","","3083","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl N3 O2 S2 -","- C14 H12 Cl N3 O2 S2 -","- C112 H96 Cl8 N24 O16 S16 -","8","1","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020627","8.1728","0.0005","17.7129","0.0009","11.0657","0.0006","90","","101.171","0.005","90","","1571.56","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Fast and Stable Photochromic Oxazines","Journal of Organic Chemistry","2005","70","","8180","8189","10.1021/jo051417w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020628","37.174","0.002","9.267","0.0007","22.8271","0.0017","90","","103.27","0.006","90","","7653.9","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H61 N3 O6 -","- C39 H61 N3 O6 -","- C312 H488 N24 O48 -","8","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Fast and Stable Photochromic Oxazines","Journal of Organic Chemistry","2005","70","","8180","8189","10.1021/jo051417w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020629","9.8838","0.0018","10.5056","0.0018","10.8938","0.0019","117.681","0.003","99.163","0.004","108.395","0.004","885.3","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","1","","Li-Xiong Shao; Min Shi","Facile Synthesis of 2-Alkynyl Buta-1,3-dienes via Sonogashira Cross-Coupling Methodology","Journal of Organic Chemistry","2005","70","","8635","8637","10.1021/jo051434l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020630","14.4972","0.0004","8.1056","0.0002","10.8247","0.0003","90","","95.142","0.001","90","","1266.88","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F2 N3 O2 S -","- C13 H11 F2 N3 O2 S -","- C52 H44 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020631","18.7318","0.0004","9.9214","0.0002","23.582","0.0005","90","","90","","90","","4382.61","0.16","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 F2 N3 O2 S -","- C25 H19 F2 N3 O2 S -","- C200 H152 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020632","7.7158","0.0001","9.1","0.0001","10.1603","0.0002","94.951","0.001","99.041","0.001","97.375","0.001","694.56","0.02","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C28 H26 F4 N6 O4 S2 -","2","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020633","8.3219","0.0001","15.8421","0.0002","11.3786","0.0002","90","","109.429","0.001","90","","1414.69","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C56 H52 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020634","10.1943","0.0005","10.5803","0.0006","14.7937","0.0008","105.942","0.002","103.247","0.002","105.64","0.002","1396","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C56 H52 F8 N12 O8 S4 -","4","2","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020635","21.3729","0.0005","9.7107","0.0002","14.4801","0.0003","90","","90","","90","","3005.3","0.1","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 F2 N3 O2 S -","- C15 H15 F2 N3 O2 S -","- C120 H120 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020636","13.1516","0.0008","9.8626","0.0006","13.2963","0.0008","90","","114.265","0.002","90","","1572.28","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F2 N3 O2 S -","- C16 H17 F2 N3 O2 S -","- C64 H68 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020637","5.589","0.002","9.069","0.004","11.255","0.004","90","","92.84","0.03","90","","569.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C24 H22 Br2 O4 -","2","1","","Weiqing Yang; Deju Shang; Yanling Liu; Ying Du; Xiaoming Feng","Highly Enantioselective Synthesis of 2,6-Disubstituted and 2,2,6-Trisubstituted Dihydropyrones: A One-Step Synthesis of (R)-(+)-Hepialone and Its Analogues","Journal of Organic Chemistry","2005","70","","8533","8537","10.1021/jo051458s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020638","8.6015","0.0007","19.6864","0.0017","10.4409","0.0009","90","","98.94","0.002","90","","1746.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.","Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles","Journal of Organic Chemistry","2005","70","23","9644","9647","10.1021/jo051478u","","","","","","","","","","","","","","","","","","","","","has coordinates","210953","2020-10-21","18:00:00",""
"4020639","6.0884","0.0006","10.5868","0.001","26.996","0.003","90","","90","","90","","1740.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.","Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles","Journal of Organic Chemistry","2005","70","23","9644","9647","10.1021/jo051478u","","","","","","","","","","","","","","","","","","","","","has coordinates","210953","2020-10-21","18:00:00",""
"4020640","8.4077","0.0012","22.863","0.003","24.921","0.004","90","","90","","90","","4790.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H62 O10 Si2 -","- C49 H62 O10 Si2 -","- C196 H248 O40 Si8 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020641","26.2553","0.0017","11.3176","0.0008","11.8892","0.0008","90","","112.159","0.001","90","","3271.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H44 O9 S Si -","- C26 H44 O9 S Si -","- C104 H176 O36 S4 Si4 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020642","10.1911","0.0017","11.815","0.002","19.571","0.004","90","","90","","90","","2356.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 -","- C28 H33 N3 -","- C112 H132 N12 -","4","1","","José M. Concellón; Pablo L. Bernad; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Selective Ring-Opening of Nonactivated Amino Aziridines by Thiols and Unusual Nucleophilic Substitution of a Dibenzylamino Group","Journal of Organic Chemistry","2005","70","","9411","9416","10.1021/jo0515069","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020643","6.4664","0.0003","12.282","0.0007","15.5671","0.0008","104.96","0.001","90.223","0.001","98.037","0.001","1181.67","0.11","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H35 F N3 O3.5 S -","- C21 H35 F N3 O3.5 S -","- C42 H70 F2 N6 O7 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020644","9.548","0.005","11.666","0.006","47.61","0.02","90","","90","","90","","5303","4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 F N3 O3 S -","- C24 H40 F N3 O3 S -","- C192 H320 F8 N24 O24 S8 -","8","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020645","10.26","0.0008","11.8826","0.0009","20.4519","0.0016","90","","90","","90","","2493.4","0.3","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 F N3 O3 S -","- C23 H38 F N3 O3 S -","- C92 H152 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020646","9.7343","0.0008","11.863","0.001","12.4542","0.0011","76.418","0.002","75.299","0.002","85.731","0.003","1352","0.2","115","2","115","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H38 F3 N3 O3 S -","- C24 H38 F3 N3 O3 S -","- C48 H76 F6 N6 O6 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020647","10.23","0.002","12.844","0.002","20.36","0.003","90","","90","","90","","2675.3","0.8","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N3 O3 S -","- C24 H41 N3 O3 S -","- C96 H164 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020648","7.2802","0.0007","9.3347","0.0008","31.939","0.003","90","","90","","90","","2170.5","0.3","116","2","116","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 F N3 O3 S -","- C20 H30 F N3 O3 S -","- C80 H120 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020649","7.096","0.0006","9.3289","0.0007","17.3403","0.0014","90","","94.526","0.002","90","","1144.31","0.16","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 F3 N3 O3 S -","- C21 H30 F3 N3 O3 S -","- C42 H60 F6 N6 O6 S2 -","2","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020650","7.3109","0.0005","15.176","0.0011","20.6948","0.0015","90","","90","","90","","2296.1","0.3","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C80 H120 Cl4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020651","22.067","0.004","19.299","0.004","8.537","0.002","90","","100.13","0.03","90","","3579","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 F18 N4 O12 -","- C26 H15 F18 N4 O12 -","- C104 H60 F72 N16 O48 -","4","1","","Jun Yin; Ronald L. Elsenbaumer","Efficient Synthesis and Characterization of Novel Bibenzimidazole Oligomers and Polymers as Potential Conjugated Chelating Ligands","Journal of Organic Chemistry","2005","70","","9436","9446","10.1021/jo051515h","","","","","","","0.0755","","","0.1797","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020652","6.679","0.001","33.845","0.005","10.224","0.002","90","","97.295","0.01","90","","2292.4","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 O5 Si -","- C21 H38 O5 Si -","- C84 H152 O20 Si4 -","4","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020653","15.786","0.002","20.987","0.002","10.767","0.001","90","","98.914","0.004","90","","3524","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 O7 Si -","- C36 H52 O7 Si -","- C144 H208 O28 Si4 -","4","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020654","10.691","0.001","11.526","0.001","14.901","0.002","84.33","0.005","75.379","0.005","72.421","0.005","1693.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Coleman 1300","","","- C33 H53 O7 Si -","- C33 H53 O7 Si -","- C66 H106 O14 Si2 -","2","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020655","11.61","0.0003","7.5434","0.0002","12.8521","0.0003","90","","104.621","0.002","90","","1089.12","0.05","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl3 F N2 O4 -","- C21 H18 Cl3 F N2 O4 -","- C42 H36 Cl6 F2 N4 O8 -","2","1","","Hartmut Schirok; Cristina Alonso-Alija; Jordi Benet-Buchholz; Andreas H. Göller; Rolf Grosser; Martin Michels; Holger Paulsen","Efficient Regioselective Synthesis of 6-Amino-5-benzoyl-1-Substituted 2(1H)-Pyridinones","Journal of Organic Chemistry","2005","70","","9463","9469","10.1021/jo0515428","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020656","5.497","0.002","9.9352","0.0006","23.478","0.004","90","","90","","90","","1282.2","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 N2 O3 -","- C10 H10 Br2 N2 O3 -","- C40 H40 Br8 N8 O12 -","4","1","","Jignesh Patel; Nadia Pelloux-Léon; Frédéric Minassian; Yannick Vallée","Syntheses of S-Enantiomers of Hanishin, Longamide B, and Longamide B Methyl Ester from L-Aspartic Acid β-Methyl Ester: Establishment of Absolute Stereochemistry","Journal of Organic Chemistry","2005","70","","9081","9084","10.1021/jo051555l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020657","10.3484","0.0003","12.843","0.0004","26.7241","0.0006","90","","90","","90","","3551.75","0.17","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Diferrocenylcyclobutenedione","","","- C24 H18 Fe2 O2 -","- C24 H18 Fe1.9 O2 -","- C192 H144 Fe15.2 O16 -","8","2","","Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma","Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements","Journal of Organic Chemistry","2005","70","","9556","9561","10.1021/jo0515677","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020658","6.87","0.001","20.553","0.004","11.365","0.003","90","","104.83","","90","","1551.3","0.6","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ferrocenyl(trimethylsilyl)cyclobutenedione","","","- C17 H18 Fe O2 Si -","- C17 H18 Fe O2 Si -","- C68 H72 Fe4 O8 Si4 -","4","1","","Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma","Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements","Journal of Organic Chemistry","2005","70","","9556","9561","10.1021/jo0515677","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020659","8.7723","0.0018","8.8405","0.0008","11.9797","0.0011","81.375","0.008","78.537","0.013","85.571","0.013","899.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N Si -","- C22 H21 N Si -","- C44 H42 N2 Si2 -","2","1","","Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak","Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles","Journal of Organic Chemistry","2005","70","","8550","8555","10.1021/jo051629t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020660","14.789","0.003","6.036","0.001","18.275","0.004","90","","106.03","0.03","90","","1567.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N Si -","- C17 H19 N Si -","- C68 H76 N4 Si4 -","4","1","","Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak","Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles","Journal of Organic Chemistry","2005","70","","8550","8555","10.1021/jo051629t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020661","6.0925","0.0002","12.0434","0.0006","21.4699","0.0011","90","","96.706","0.002","90","","1564.56","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","arufrct2","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas","Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones","Journal of Organic Chemistry","2005","70","","9529","9537","10.1021/jo051646i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020662","12.7087","0.0007","10.1688","0.0006","15.6737","0.0009","90","","99.455","0.003","90","","1998","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aru18f2","","","- C26 H17 Br Cl N O3 -","- C24 H17 Br Cl N O3 -","- C96 H68 Br4 Cl4 N4 O12 -","4","1","","Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas","Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones","Journal of Organic Chemistry","2005","70","","9529","9537","10.1021/jo051646i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020663","7.9987","0.0001","15.5029","0.0003","16.5298","0.0004","90","","103.866","0.0006","90","","1990.01","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Co4 O16 -","- C34 H28 Co4 O16 -","- C68 H56 Co8 O32 -","2","0.5","","Kevin M. Shea; Kristina D. Closser; Miriam M. Quintal","Nicholas Reactions with Carboxylic Acids for the Synthesis of Macrocyclic Diolides","Journal of Organic Chemistry","2005","70","","9088","9091","10.1021/jo051691q","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020664","8.4864","0.0011","8.5814","0.0011","8.6437","0.0012","98.452","0.002","101.45","0.002","114.134","0.002","544.4","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C24 H30 N2 O6 -","2","1","","Yong-Hua Yang; Min Shi","Ring-Expanding Reaction of Cyclopropyl Amides with Triphenylphosphine and Carbon Tetrahalide","Journal of Organic Chemistry","2005","70","","8645","8648","10.1021/jo0516988","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020665","15.511","0.0005","10.2182","0.0003","16.1676","0.0005","90","","90","","90","","2562.48","0.14","140","1","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H11 B F15 N O -","- C28 H11 B F15 N O -","- C112 H44 B4 F60 N4 O4 -","4","1","","Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers","Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts","Journal of Organic Chemistry","2005","70","","10653","10659","10.1021/jo050695s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020666","11.6318","0.0006","18.6066","0.0008","13.2326","0.0007","90","","112.289","0.001","90","","2649.9","0.2","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Si4 -","- C56 H68 Si4 -","- C112 H136 Si8 -","2","0.5","","Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita","Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization","Journal of Organic Chemistry","2005","70","","9693","9701","10.1021/jo050914+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020667","9.747","0.002","14.336","0.004","15.906","0.004","90","","102.08","0.01","90","","2173.4","0.9","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Si2 -","- C56 H48 Si2 -","- C112 H96 Si4 -","2","0.5","","Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita","Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization","Journal of Organic Chemistry","2005","70","","9693","9701","10.1021/jo050914+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020668","10.0829","0.0007","13.0345","0.0009","29.465","0.002","90","","97.475","0.001","90","","3839.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cl8 O8 -","- C36 H34 Cl8 O8 -","- C144 H136 Cl32 O32 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.0794","0.0562","","","0.1327","0.1447","","","","","","1.029","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020669","12.119","0.002","21.628","0.004","21.812","0.004","114.94","0.03","90.12","0.03","106.06","0.03","4935.7","1.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C132 H126 O12 -","- C132 H126 O12 -","- C264 H252 O24 -","2","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.2508","0.1973","","","0.5862","0.6238","","","","","","2.518","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020670","10.1163","0.0006","13.3844","0.0008","18.6525","0.0012","73.316","0.001","77.567","0.001","68.352","0.001","2231.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H50 O4 -","- C64 H50 O4 -","- C128 H100 O8 -","2","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1853","0.1265","","","0.2148","0.2414","","","","","","1.255","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020671","24.6645","0.0017","17.5336","0.0012","19.816","0.0014","90","","98.469","0.001","90","","8476.1","1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H90 Ag2 B2 Cl F8 N7 O8 -","- C90.5 H90 Ag2 B2 Cl F8 N7 O8 -","- C362 H360 Ag8 B8 Cl4 F32 N28 O32 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1466","0.0698","","","0.1869","0.2174","","","","","","0.944","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020672","20.275","0.002","6.5897","0.0007","28.606","0.002","90","","113.243","0.006","90","","3511.7","0.6","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H40 Ag N3 O7 -","- C42 H40 Ag N3 O7 -","- C168 H160 Ag4 N12 O28 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1287","0.0653","","","0.1607","0.1944","","","","","","0.964","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020673","17.431","0.003","9.0482","0.0013","11.2508","0.0016","90","","105.479","0.011","90","","1710.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N3 O3 -","- C16 H22 N3 O3 -","- C64 H88 N12 O12 -","4","1","","Maxim A. Voinov; Julya F. Polienko; Thomas Schanding; Andrey A. Bobko; Valery V. Khramtsov; Yury V. Gatilov; Tatyana V. Rybalova; Alex I. Smirnov; Igor A. Grigor'ev","Synthesis, Structure, and X-Band (9.5 GHz) EPR Characterization of the New Series of pH-Sensitive Spin Probes: N,N-Disubstituted 4-Amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls","Journal of Organic Chemistry","2005","70","","9702","9711","10.1021/jo0510890","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020674","15.833","0.004","4.6775","0.0011","12.142","0.003","90","","100.159","0.005","90","","885.1","0.4","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020675","35.281","0.004","4.6868","0.0005","12.1021","0.0013","90","","97.519","0.002","90","","1984","0.4","183","2","183","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020676","19.63","0.003","4.6867","0.0006","12.0309","0.0016","90","","94.459","0.002","90","","1103.5","0.3","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020677","44.904","0.004","4.675","0.0004","12.0495","0.001","90","","104.224","0.001","90","","2451.9","0.4","183","2","183","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020678","13.742","0.0017","14.6337","0.0019","13.1471","0.0018","90","","115.786","0.002","90","","2380.6","0.5","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","1","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020679","10.354","0.002","11.028","0.002","14.928","0.002","90","","90","","90","","1704.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O3 -","- C18 H29 N O3 -","- C72 H116 N4 O12 -","4","1","","Rajesh Iyengar; Klaas Schildknegt; Martha Morton; Jeffrey Aubé","Revisiting a Classic Approach to the Aspidosperma Alkaloids: An Intramolecular Schmidt Reaction Mediated Synthesis of (+)-Aspidospermidine","Journal of Organic Chemistry","2005","70","","10645","10652","10.1021/jo051212n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020680","10.1624","0.0011","15.3277","0.0016","21.681","0.002","90","","94.117","0.002","90","","3368.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B2 F8 S4 -","- C32 H30 B2 F8 S4 -","- C128 H120 B8 F32 S16 -","4","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020681","20.296","0.004","13.134","0.002","18.991","0.003","90","","116.989","0.003","90","","4511.1","1.4","273","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 B F4 S2 -","- C22 H25 B F4 S2 -","- C176 H200 B8 F32 S16 -","8","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020682","11.4982","0.0013","12.4392","0.0015","23.139","0.003","90","","99.488","0.002","90","","3264.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B2 F8 N S4 -","- C31 H27 B2 F8 N S4 -","- C124 H108 B8 F32 N4 S16 -","4","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020683","12.43","0.002","5.3168","0.001","12.926","0.002","90","","106.652","0.004","90","","818.4","0.3","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Jorge García-Fortanet; Juan Murga; Eva Falomir; Miguel Carda; J. Alberto Marco","Stereoselective Total Synthesis and Absolute Configuration of the Natural Decanolides (-)-Microcarpalide and (+)-Lethaloxin. Identity of (+)-Lethaloxin and (+)-Pinolidoxin","Journal of Organic Chemistry","2005","70","","9822","9827","10.1021/jo051353p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020684","18.718","0.004","26.983","0.005","13.365","0.003","90","","128.971","0.002","90","","5248.2","1.8","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F6 O2 -","- C29 H26 F6 O2 -","- C232 H208 F48 O16 -","8","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020685","14.602","0.003","9.4947","0.0017","19.285","0.003","90","","105.271","0.003","90","","2579.4","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 O2 -","- C29 H26 F6 O2 -","- C116 H104 F24 O8 -","4","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020686","11.284","0.003","9.34","0.002","18.119","0.004","90","","93.793","0.004","90","","1905.4","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 F6 O2 -","- C23 H14 F6 O2 -","- C92 H56 F24 O8 -","4","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020687","12.337","0.004","9.686","0.003","31.46","0.01","90","","90","","90","","3760","2","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H14 F6 O2 -","- C23 H14 F6 O2 -","- C184 H112 F48 O16 -","8","2","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020688","10.3524","0.0002","9.7016","0.0002","31.2564","0.0005","90","","94.7012","0.0005","90","","3128.7","","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 O9 S2 -","- C16 H24 O9 S2 -","- C96 H144 O54 S12 -","6","3","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020689","9.279","0.004","9.314","0.005","47.04","0.02","90","","90","","90","","4065","3","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O11 S2 -","- C15 H22 O11 S2 -","- C120 H176 O88 S16 -","8","2","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020690","29.18","0.01","12.689","0.005","19.779","0.008","90","","120.77","0.03","90","","6293.9","0.5","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 B F4 N6 O4.5 -","- C33 H30 B F4 N6 O4.5 -","- C264 H240 B8 F32 N48 O36 -","8","1","","Shin-ichi Naya; Junya Nishimura; Makoto Nitta","Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts","Journal of Organic Chemistry","2005","70","","9780","9788","10.1021/jo0514523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020691","12.317","0.007","11.894","0.007","19.91","0.01","90","","100.5","0.05","90","","2868.7","0.3","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F4 N6 O4 -","- C31 H25 B F4 N6 O4 -","- C124 H100 B4 F16 N24 O16 -","4","1","","Shin-ichi Naya; Junya Nishimura; Makoto Nitta","Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts","Journal of Organic Chemistry","2005","70","","9780","9788","10.1021/jo0514523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020692","7.782","0.0016","11.145","0.002","13.821","0.003","72.23","0.03","75.48","0.03","70.62","0.03","1061.8","0.4","568","2","568","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","","Mihirbaran Mandal; Heedong Yun; Gregory B. Dudley; Songnian Lin; Derek S. Tan; Samuel J. Danishefsky","Total Synthesis of Guanacastepene A: A Route to Enantiomeric Control","Journal of Organic Chemistry","2005","70","","10619","10637","10.1021/jo051470k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020693","14.747","0.002","18.745","0.002","5.702","0.001","90","","90","","90","","1576.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 N2 O2 -","- C14 H26 N2 O2 -","- C56 H104 N8 O8 -","4","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020694","8.635","0.0004","8.793","0.0003","10.356","0.0006","82.257","0.003","73.341","0.002","66.915","0.003","692.76","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","1","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020695","9.2819","0.0005","9.716","0.0006","21.2585","0.0012","83.289","0.001","80.492","0.001","64.244","0.001","1700.78","0.17","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H16 Cl2 F8 -","- C30 H16 Cl2 F8 -","- C90 H48 Cl6 F24 -","3","3","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020696","9.3031","0.0005","14.1979","0.0008","16.3548","0.0009","90","","104.872","0.002","90","","2087.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 F8 -","- C30 H14 F8 -","- C120 H56 F32 -","4","1","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020697","9.2818","0.0007","14.745","0.002","15.9431","0.0011","90","","105.49","0.002","90","","2102.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 F8 O -","- C30 H14 F8 O -","- C120 H56 F32 O4 -","4","1","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020698","9.921","0.005","27.47","0.01","10.021","0.005","90","","118.67","0.05","90","","2396","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O5 -","- C27 H29 N O5 -","- C108 H116 N4 O20 -","4","2","","Jean-François Poisson; Arturo Orellana; Andrew E. Greene","Stereocontrolled Synthesis of (-)-Kainic Acid from trans-4-Hydroxy-L-proline","Journal of Organic Chemistry","2005","70","","10860","10863","10.1021/jo051508t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020699","20.4347","0.0016","6.6251","0.0006","19.3921","0.0014","90","","96.979","0.007","90","","2605.9","0.4","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C104 H152 N8 O32 -","8","1","","Birte Basler; Oliver Schuster; Thorsten Bach","Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening","Journal of Organic Chemistry","2005","70","","9798","9808","10.1021/jo0515226","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020700","32.3497","0.0006","9.9117","0.0001","12.2514","0.0002","90","","90","","90","","3928.3","0.1","143","2","143","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22.5 H25 Cl N2 O3 -","- C22.5 H25 Cl N2 O3 -","- C180 H200 Cl8 N16 O24 -","8","1","","Birte Basler; Oliver Schuster; Thorsten Bach","Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening","Journal of Organic Chemistry","2005","70","","9798","9808","10.1021/jo0515226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020701","14.599","0.005","6.156","0.002","18","0.007","90","","106.209","0.007","90","","1553.5","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O6 -","- C34 H48 O6 -","- C68 H96 O12 -","2","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020702","28.197","0.007","6.3152","0.0017","22.247","0.006","90","","127.911","0.004","90","","3125.5","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H50 O5 Si -","- C28.6 H50 O5 Si -","- C114.4 H200 O20 Si4 -","4","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020703","6.16","0.0012","12.062","0.002","19.348","0.004","90","","93.85","0.03","90","","1434.3","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C60 H96 O12 -","2","1","","Zihao Hua; David A. Carcache; Yuan Tian; Yue-Ming Li; Samuel J. Danishefsky","The Synthesis and Preliminary Biological Evaluation of a Novel Steroid with Neurotrophic Activity: NGA0187","Journal of Organic Chemistry","2005","70","","9849","9856","10.1021/jo051556d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020704","8.403","0.003","14.622","0.006","9.752","0.004","90","","91.29","0.03","90","","1198","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H23 N4 O P -","- C28 H23 N4 O P -","- C56 H46 N8 O2 P2 -","2","1","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020705","8.4707","0.0002","14.16","0.0003","23.7508","0.0007","90","","97.37","0.005","90","","2825.3","0.1","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","1","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020706","8.118","0.0003","20.8664","0.0008","8.9972","0.0003","90","","108.976","0.005","90","","1441.24","0.09","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H27 N4 O5 P -","- C32 H27 N4 O5 P -","- C64 H54 N8 O10 P2 -","2","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020707","6.855","0.001","10.497","0.001","20.241","0.003","90","","90","","90","","1456.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Ramón Badorrey; Carlos Cativiela; María D. Díaz-de-Villegas; Roberto Díez; Fabrizio Galbiati; José A. Gálvez","Highly Diastereoselective Cyanation of Methyl Ketimines Obtained from (R)-Glyceraldehyde","Journal of Organic Chemistry","2005","70","","10102","10105","10.1021/jo051592c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020708","9.808","0.002","11.955","0.002","17.065","0.003","90","","90","","90","","2001","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","","Pijus Kumar Mandal; Kumar K. Kaluarachchi; Douglas Ogrin; Simon G. Bott; John S. McMurray","An Efficient Synthesis of the Constrained Peptidomimetic 2-Oxo-3-(N-9-fluorenyloxy-carbonylamino)- 1-azabicyclo[4.3.0]nonane-9-carboxylic Acid from Pyroglutamic Acid","Journal of Organic Chemistry","2005","70","","10128","10131","10.1021/jo0515935","","","","","","","0.0491","","","0.099","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020709","18.068","0.002","18.068","0.004","25.243","0.004","90","","90","","90","","8241","2","298","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C13 H20 Cl K N2 O12 -","- C13 H18 Cl K N2 O12 -","- C208 H288 Cl16 K16 N32 O192 -","16","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020710","11.3291","0.0012","21.53","0.003","10.342","0.002","90","","98.036","0.01","90","","2497.9","0.6","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 F6 K N3 O8 P -","- C15 H23 F6 K N3 O8 P -","- C60 H92 F24 K4 N12 O32 P4 -","4","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020711","16.419","0.003","8.0011","0.0014","17.43","0.005","90","","91.24","0.02","90","","2289.3","1","298","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl N2 Na2 O16 -","- C13 H20 Cl2 N2 Na2 O16 -","- C52 H80 Cl8 N8 Na8 O64 -","4","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020712","13.0799","0.0011","13.5478","0.001","23.1224","0.0019","90","","90","","90","","4097.4","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Cu F3 O5 P4 S -","- C37 H56 Cu F3 O5 P4 S -","- C148 H224 Cu4 F12 O20 P16 S4 -","4","1","","Alexandre Côté; André B. Charette","Multicomponent One-Pot Procedure for the Synthesis of Free α-Chiral Amines from Aldehydes","Journal of Organic Chemistry","2005","70","","10864","10867","10.1021/jo0516483","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020713","7.7036","0.0013","10.137","0.0017","18.605","0.003","90","","94.481","0.003","90","","1448.4","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N8 O14 -","- C26 H32 N8 O14 -","- C52 H64 N16 O28 -","2","0.5","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020714","10.1433","0.0005","18.4828","0.0009","18.5254","0.0009","90","","93.667","0.001","90","","3466","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N10 O14 -","- C30 H38 N10 O14 -","- C120 H152 N40 O56 -","4","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020715","11.4566","0.0005","12.8691","0.0006","21.024","0.0009","92.876","0.001","98.905","0.001","106.952","0.001","2914.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 N16 O45 -","- C36 H63.8 N16 O45 -","- C72 H127.6 N32 O90 -","2","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020716","9.6635","0.0003","16.6677","0.0005","21.0632","0.0006","90","","94.878","0.001","90","","3380.33","0.17","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N12 O10 -","- C30 H36 N12 O10 -","- C120 H144 N48 O40 -","4","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020717","9.4195","0.0003","21.7175","0.0006","10.4372","0.0003","90","","90.8136","0.0007","90","","2134.9","0.1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl O4 -","- C24 H23 Cl O4 -","- C96 H92 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020718","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2010","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020719","5.9017","0.0001","8.0644","0.0006","13.7216","0.0005","90","","94.785","0.002","90","","650.79","0.06","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020720","12.0726","0.0007","22.2121","0.0011","12.0726","0.0007","90","","113.741","0.002","90","","2963.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H68 O14 -","- C70 H68 O14 -","- C140 H136 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020721","11.1749","0.0001","12.1186","0.0001","27.6517","0.0003","90","","90.607","0.001","90","","3744.5","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H92 Cl2 O14 -","- C83 H92 Cl2 O14 -","- C166 H184 Cl4 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020722","11.8114","0.0002","21.0977","0.0004","15.827","0.0003","90","","109.64","0.001","90","","3714.53","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H86 Br2 O14 -","- C80 H86 Br2 O14 -","- C160 H172 Br4 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020723","9.3699","0.001","10.4362","0.0012","13.2079","0.0018","101.103","0.011","94.95","0.01","111.346","0.01","1163","0.2","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","1","1","","Tetsuya Kodama; Marc M. Greenberg","Preparation and Analysis of Oligonucleotides Containing Lesions Resulting from C5'-Oxidation","Journal of Organic Chemistry","2005","70","","9916","9924","10.1021/jo051666k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020724","5.384","0.0005","12.0829","0.0012","17.7316","0.0016","90","","90","","90","","1153.52","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C44 H56 O24 -","4","1","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020725","22.246","0.011","23.698","0.011","5.599","0.002","90","","90","","90","","2952","2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H20 O9 -","- C13 H20 O9 -","- C104 H160 O72 -","8","2","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020726","8.817","0.002","14.894","0.003","32.741","0.007","90","","90","","90","","4299.6","1.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H52 N4 O2 -","- C52 H52 N4 O2 -","- C208 H208 N16 O8 -","4","1","","Jacek Gawroński; Małgorzata Brzostowska; Marcin Kwit; Agnieszka Plutecka; Urszula Rychlewska","Rhombimines-Cyclic Tetraimines of trans-1,2-Diaminocyclohexane Shaped by the Diaryl Ether Structural Motif","Journal of Organic Chemistry","2005","70","","10147","10150","10.1021/jo051687e","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020727","30.895","0.003","5.5887","0.0007","7.818","0.001","90","","93.066","0.009","90","","1348","0.3","198.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F3 N O -","- C17 F3 N O -","- C68 F12 N4 O4 -","4","1","","Tsutomu Konno; Jungha Chae; Tomotsugu Miyabe; Takashi Ishihara","Regioselective One-Step Synthesis of 4-Fluoroalkylated Isoquinolines via Carbopalladation Reaction of Fluorine-Containing Alkynes","Journal of Organic Chemistry","2005","70","","10172","10174","10.1021/jo051700v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020728","10.9618","0.0005","14.605","0.0007","17.6987","0.0008","82.011","0.003","86.542","0.003","85.712","0.003","2794.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 B10 O4 P2 Pt -","- C16 H40 B10 O4 P2 Pt -","- C64 H160 B40 O16 P8 Pt4 -","4","2","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020729","14.0198","0.0006","15.82","0.0007","16.3241","0.0005","90.049","0.002","114.665","0.002","114.321","0.0015","2932.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H156 B20 O8 P8 Pt4 -","- C84 H156 B20 O8 P8 Pt4 -","- C84 H156 B20 O8 P8 Pt4 -","1","0.5","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020730","20.1146","0.0003","25.0555","0.0004","22.5939","0.0003","90","","99.0506","0.0008","90","","11245.1","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H168 B20 O10 P8 Pt4 -","- C90 H168 B20 O10 P8 Pt4 -","- C360 H672 B80 O40 P32 Pt16 -","4","1","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020731","10.501","0.006","11.277","0.007","9.106","0.007","104.1","0.06","93.87","0.06","68.2","0.04","971","1","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020732","8.476","0.009","12.54","0.01","18.38","0.01","90","","95.71","0.08","90","","1943","3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020733","5.0172","0.0003","11.8925","0.0006","24.7383","0.0012","90","","90","","90","","1476.06","0.14","90","2","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Huw M. L. Davies; Simon J. Hedley; Brooks R. Bohall","Asymmetric Intermolecular C-H Functionalization of Benzyl Silyl Ethers Mediated by Chiral Auxiliary-Based Aryldiazoacetates and Chiral Dirhodium Catalysts","Journal of Organic Chemistry","2005","70","","10737","10742","10.1021/jo051747g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020734","10.1562","0.0008","10.4485","0.0008","19.7286","0.0015","90","","90","","90","","2093.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020735","11.5923","0.0008","17.0433","0.0012","17.9971","0.0013","90","","108.321","0.002","90","","3375.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O7 S2 -","- C35 H36 N2 O7 S2 -","- C140 H144 N8 O28 S8 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020736","15.3098","0.0013","15.6606","0.0013","12.3382","0.001","90","","91.245","0.002","90","","2957.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O6 S2 -","- C32 H30 N2 O6 S2 -","- C128 H120 N8 O24 S8 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020737","7.6675","0.0008","13.814","0.0015","22.914","0.003","92.491","0.002","93.885","0.002","98.992","0.002","2388.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O4 S -","- C27 H25 N O4 S -","- C108 H100 N4 O16 S4 -","4","2","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020738","6.3576","0.0009","8.9534","0.0013","31.589","0.005","90","","91.829","0.003","90","","1797.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N O3 S -","- C19 H17 F N O3 S -","- C76 H68 F4 N4 O12 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020739","20.5357","0.0016","11.4427","0.0009","20.5964","0.0015","90","","117.564","0.002","90","","4290.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","2","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020740","11.0446","0.001","12.4582","0.0012","14.1435","0.0013","90","","91.214","0.002","90","","1945.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020741","10.157","0.0004","10.07","0.0004","31.991","0.0013","90","","103.547","0.001","90","","3181","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","2","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020742","22.528","0.004","10.072","0.002","24.147","0.005","90","","101.265","0.004","90","","5373.4","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N8 O6 -","- C24 H32 N8 O6 -","- C192 H256 N64 O48 -","8","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020743","11.6506","0.0015","15.143","0.0019","8.9226","0.0011","90","","108.742","0.003","90","","1490.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 N4 O3 -","- C11 H13 N4 O3 -","- C44 H52 N16 O12 -","4","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020744","9.4903","0.0006","11.1867","0.0007","16.2401","0.001","84.059","0.001","78.766","0.001","82.3","0.001","1670.53","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H41 N10 O6 -","- C27 H41 N10 O6 -","- C54 H82 N20 O12 -","2","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020745","15.733","0.0008","11.6432","0.0006","19.0192","0.001","90","","102.185","0.001","90","","3405.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 O3 S -","- C16 H18 N4 O3 S -","- C128 H144 N32 O24 S8 -","8","2","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020746","10.2504","0.0006","13.3758","0.0008","17.822","0.001","90.941","0.001","94.799","0.001","99.773","0.001","2398.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H72 N8 O6 S2 -","- C42 H72 N8 O6 S2 -","- C84 H144 N16 O12 S4 -","2","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020747","17","0.003","8.31","0.0017","15.24","0.003","90","","102.9","0.03","90","","2098.6","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N5 O3 S -","- C21 H21 N5 O3 S -","- C84 H84 N20 O12 S4 -","4","1","","Jian Liu; Raymond J. Patch; Carsten Schubert; Mark R. Player","Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-d]pyrimidines: Intermediates for Bivalent Thiazolopyrimidines","Journal of Organic Chemistry","2005","70","","10194","10197","10.1021/jo0517702","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020748","11.3626","0.0016","8.8591","0.0013","13.0108","0.0019","90","","99.29","0.002","90","","1292.5","0.3","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Lodovico Lunazzi; Andrea Mazzanti; Mirko Minzoni","Static and Dynamic Stereochemistry of the Conformational Atropisomers of Tetra(o-tolyl)benzene","Journal of Organic Chemistry","2005","70","","10062","10066","10.1021/jo051783f","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020749","5.2719","0.0001","8.0229","0.0001","30.5228","0.0003","90","","90","","90","","1290.99","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","M. Carmen Carreño; M. Jesús Sanz-Cuesta","Conjugate Additions of Me~2~CuLi to Enantiopure γ-Hydroxy-δ-sulfinyl and Sulfonyl Pentenoates","Journal of Organic Chemistry","2005","70","","10036","10045","10.1021/jo051788c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020750","9.37","0.02","6.782","0.003","15.72","0.03","90","","106.44","0.09","90","","958","3","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O8 -","- C20 H21 N O8 -","- C40 H42 N2 O16 -","2","1","","Dieter Enders; Achim Lenzen; Michael Backes; Carsten Janeck; Kelly Catlin; Marie-Isabelle Lannou; Jan Runsink; Gerhard Raabe","Asymmetric Total Synthesis of the 1-epi-Aglycon of the Cripowellins A and B","Journal of Organic Chemistry","2005","70","","10538","10551","10.1021/jo0518093","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020751","5.842","0.002","7.803","0.002","9.58","0.005","98.06","0.03","100.15","0.03","91.75","0.03","425","0.3","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 S2 -","- C10 H6 S2 -","- C20 H12 S4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020752","5.7985","0.0006","7.9434","0.0008","9.864","0.001","97.41","0.01","101.48","0.01","91.567","0.009","440.87","0.09","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 Se2 -","- C10 H6 Se2 -","- C20 H12 Se4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020753","5.822","0.002","8.122","0.002","10.292","0.003","95.85","0.02","102.59","0.02","91.3","0.02","472","0.2","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 Te2 -","- C10 H6 Te2 -","- C20 H12 Te4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020754","10.096","0.002","10.316","0.002","12.523","0.003","71.918","0.003","78.502","0.003","80.289","0.003","1207","0.5","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 O Si -","- C26 H36 O Si -","- C52 H72 O2 Si2 -","2","1","","Asunción Barbero; Pilar Castreño; Gloria Fernández; Francisco J. Pulido","Intramolecular Ene Reaction of Epoxyallylsilanes: Synthesis of Allyl- and Vinylsilane-Functionalized Cyclohexanols","Journal of Organic Chemistry","2005","70","","10747","10752","10.1021/jo051868g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020755","10.807","0.0003","9.6599","0.0003","12.5622","0.0004","90","","113.068","0.0012","90","","1206.57","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 O2 P -","- C13 H15 O2 P -","- C52 H60 O8 P4 -","4","1","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020756","9.4409","0.0002","10.4204","0.0002","12.9663","0.0003","90","","110.814","0.0009","90","","1192.35","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 O2 P -","- C13 H15 O2 P -","- C52 H60 O8 P4 -","4","1","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020757","29.4897","0.0005","5.6348","0.0002","18.6928","0.0003","90","","98.2735","0.0007","90","","3073.83","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 O2 P -","- C18 H17 O2 P -","- C144 H136 O16 P8 -","8","2","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020758","18.9165","0.0002","19.0923","0.0003","26.6298","0.0005","90","","90","","90","","9617.6","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H123 F9 N4 O12.5 -","- C93.1 H93 F9 N4 O12.5 -","- C372.4 H372 F36 N16 O50 -","4","1","","Ulrich Darbost; Xianshun Zeng; Michel Giorgi; Ivan Jabin","Optically Pure Calix[6]tris-ammoniums: Syntheses and Host-Guest Properties toward Neutral Guests","Journal of Organic Chemistry","2005","70","","10552","10560","10.1021/jo051886y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020759","8.931","0.002","5.4806","0.0012","11.847","0.003","90","","110.988","0.004","90","","541.4","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020760","10.1869","0.0009","5.016","0.0005","10.8921","0.001","90","","102.478","0.002","90","","543.41","0.09","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020761","18.12","0.007","6.607","0.002","12.804","0.005","90","","107.072","0.005","90","","1465.4","0.9","300.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O Si -","- C12 H20 N2 O Si -","- C48 H80 N8 O4 Si4 -","4","1","","Seigo Okugawa; Hyuma Masu; Kentaro Yamaguchi; Kei Takeda","Nitrile Anion Cyclization with Epoxysilanes Followed by Brook Rearrangement/Ring-Opening of Cyclopropane Nitriles/Alkylation","Journal of Organic Chemistry","2005","70","","10515","10523","10.1021/jo0519413","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020762","22.0841","0.0007","10.4436","0.0003","17.3447","0.0005","90","","105.705","0.002","90","","3851","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 Se -","- C23 H20 N2 Se -","- C184 H160 N16 Se8 -","8","2","","Jan M. Pedersen; W. Russell Bowman; Mark R. J. Elsegood; Anthony J. Fletcher; Peter J. Lovell","Synthesis of Ellipticine: A Radical Cascade Protocol to Aryl- and Heteroaryl-Annulated[b]carbazoles","Journal of Organic Chemistry","2005","70","","10615","10618","10.1021/jo0519920","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020763","7.1979","0.001","9.1954","0.001","17.7887","0.001","98.044","0.01","101.57","0.01","98.183","0.01","1124.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Co2 Cr O11 -","- C20 H10 Co2 Cr O11 -","- C40 H20 Co4 Cr2 O22 -","2","1","","Marta Rosillo; Gema Domínguez; Luis Casarrubios; Javier Pérez-Castells","Arene-Chromium Tricarbonyl Complexes in the Pauson-Khand Reaction","Journal of Organic Chemistry","2005","70","","10611","10614","10.1021/jo0519965","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020764","23.36","0.002","28.872","0.003","8.928","0.001","90","","98.553","0.002","90","","5954.5","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.75 H37.25 F3 N4 O5.38 S -","- C22 H17 F3 N4 O2 S -","- C176 H136 F24 N32 O16 S8 -","8","1","","Thorfinnur Gunnlaugsson; Paul E. Kruger; Paul Jensen; Juliann Tierney; Haslin Dato Paduka Ali; Gillian M. Hussey","Colorimetric ""Naked Eye"" Sensing of Anions in Aqueous Solution","Journal of Organic Chemistry","2005","70","","10875","10878","10.1021/jo0520487","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020765","12.948","0.002","17.7599","0.0004","28.2209","0.0003","90","","90","","90","","6489.7","0.5","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H52 Cl4 O10 -","- C71 H52 Cl4 O10 -","- C284 H208 Cl16 O40 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020766","12.03","0.003","13.764","0.004","17.662","0.006","90","","93.25","0.03","90","","2919","1","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Ag Cl2 O10 -","- C29 H23 Ag Cl2 O10 -","- C116 H92 Ag4 Cl8 O40 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020767","6.9904","0.001","14.747","0.002","18.83","0.003","90","","98.874","0.005","90","","1917.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cl O5 -","- C23 H17 Cl O5 -","- C92 H68 Cl4 O20 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020768","8.757","0.003","9.643","0.002","8.346","0.002","103.06","0.01","94.02","0.01","100.73","0.01","669.9","0.3","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 Cl3 N2 O3 -","- C9 H11 Cl3 N2 O3 -","- C18 H22 Cl6 N4 O6 -","2","1","","Ahmad Basheer; Zvi Rappoport","Enols of Amides Activated by the 2,2,2-Trichloroethoxycarbonyl Group","Journal of Organic Chemistry","2004","69","","1151","1160","10.1021/jo030266z","","","","","","","0.061","","","0.081","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020769","20.8569","0.0004","20.8569","0.0004","9.0442","0.0002","90","","90","","90","","3934.32","0.14","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Ni tetrabenzoporphyrin","","","- C77 H53 Cl3 N4 Ni O16 -","- C79.22 H55.22 Cl9.66 N4 Ni O16 -","- C158.44 H110.44 Cl19.32 N8 Ni2 O32 -","2","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Irina P. Beletskaya; Patrick J. Carroll; Sergei A. Vinogradov","Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins","Journal of Organic Chemistry","2004","69","","522","535","10.1021/jo0350054","","","","","","","0.0617","","","0.1583","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020770","6.656","0.001","14.038","0.003","40.714","0.008","90","","90","","90","","3804.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-dithiodianthranilide","","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C168 H120 N24 S24 -","12","3","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020771","9.607","0.001","12.8255","0.0015","14.217","0.0012","90","","102.919","0.008","90","","1707.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N8 S2 -","- C32 H52 N8 S2 -","- C64 H104 N16 S4 -","2","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020772","8.749","0.001","9.771","0.001","18.104","0.002","90","","90","","90","","1547.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(+)-dianthranilide DMSO 1:1 solvate","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020773","17.397","0.001","8.5828","0.0005","18.7108","0.0011","90","","103.073","0.005","90","","2721.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dianthranilide DMSO solvate","","","- C30 H26 N4 O5 S -","- C30 H26 N4 O5 S -","- C120 H104 N16 O20 S4 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020774","8.6349","0.0017","11.2312","0.0019","12.402","0.002","97.534","0.015","96.796","0.016","93.056","0.015","1181.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dianthranilide","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","2","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020775","7.669","0.002","9.014","0.002","9.62","0.002","83.99","0.02","89.72","0.02","68.74","0.02","616","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dithiodiantranilide","","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C28 H20 N4 S4 -","2","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020776","10.737","0.002","14.931","0.003","18.911","0.004","90","","90","","90","","3031.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N2 O8 -","- C34 H34 N2 O8 -","- C136 H136 N8 O32 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020777","10.4813","0.0006","11.9342","0.0007","9.7556","0.0005","90","","106.066","0.004","90","","1172.63","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","F. Christopher Pigge; John J. Coniglio; Nigam P. Rath","Functionalized Spiro- and Fused-Ring Heterocycles via Oxidative Demetalation of Cyclohexadienyl Ruthenium Complexes","Journal of Organic Chemistry","2004","69","","1161","1168","10.1021/jo035058l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020778","9.0063","0.0002","7.1259","0.0001","11.4408","0.0002","90","","110.754","0.001","90","","686.6","0.02","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","F. Christopher Pigge; John J. Coniglio; Nigam P. Rath","Functionalized Spiro- and Fused-Ring Heterocycles via Oxidative Demetalation of Cyclohexadienyl Ruthenium Complexes","Journal of Organic Chemistry","2004","69","","1161","1168","10.1021/jo035058l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020779","9.0118","0.0009","10.8258","0.0011","16.5929","0.0017","90","","90","","90","","1618.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl O3 -","- C17 H23 Cl O3 -","- C68 H92 Cl4 O12 -","4","1","","Trevor C. McMorris; Michael D. Staake; Michael J. Kelner","Synthesis and Biological Activity of Enantiomers of Antitumor Irofulven","Journal of Organic Chemistry","2004","69","","619","623","10.1021/jo035084j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020780","9.379","0.009","10.385","0.009","12.99","0.009","90","","103.91","0.07","90","","1228.2","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl O3 -","- C13 H15 Cl O3 -","- C52 H60 Cl4 O12 -","4","1","","Trevor C. McMorris; Michael D. Staake; Michael J. Kelner","Synthesis and Biological Activity of Enantiomers of Antitumor Irofulven","Journal of Organic Chemistry","2004","69","","619","623","10.1021/jo035084j","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020781","7.2803","0.0004","26.718","0.002","8.572","0.0005","90","","90","","90","","1667.4","0.2","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 Br2 O5 -","- C16 H16 Br2 O5 -","- C64 H64 Br8 O20 -","4","1","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020782","18.3151","0.0007","16.306","0.0007","19.7968","0.0008","90","","90","","90","","5912.2","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C240 H224 Br32 O48 -","16","2","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020783","11.7974","0.0006","8.1389","0.0004","11.4455","0.0005","90","","98.719","0.002","90","","1086.27","0.09","173","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C40 H32 Br8 O8 -","4","1","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020784","5.86","0.0007","8.4944","0.001","13.4511","0.0017","101.721","0.002","98.011","0.002","99.562","0.002","636.01","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","sm08","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","B. Jesse E. Reich; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Stephen A. Miller","Cyanide-Catalyzed Cyclizations via Aldimine Coupling","Journal of Organic Chemistry","2004","69","","1357","1359","10.1021/jo035245j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020785","5.943","0.0009","8.6856","0.0013","14.988","0.002","74.255","0.002","81.05","0.002","83.614","0.002","733.64","0.19","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","B. Jesse E. Reich; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Stephen A. Miller","Cyanide-Catalyzed Cyclizations via Aldimine Coupling","Journal of Organic Chemistry","2004","69","","1357","1359","10.1021/jo035245j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020786","7.2819","0.0004","14.1493","0.0008","16.561","0.002","90","","90.188","0.002","90","","1706.32","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br4 N3 O -","- C15 H13 Br4 N3 O -","- C60 H52 Br16 N12 O4 -","4","1","","Ravi S. Orugunty; Ion Ghiviriga; Khalil A. Abboud; Merle A. Battiste; Dennis L. Wright","Bridged Synthons from Tetrabromocyclopropene: Studies on the Rearrangement of the Primary Diels-Alder Adduct with 2,5-Dimethylfuran","Journal of Organic Chemistry","2004","69","","570","572","10.1021/jo0352631","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020787","7.1376","0.0009","7.597","0.001","36.333","0.005","90","0.002","90","0.002","90","0.002","1970.2","0.4","183.2","","183.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N2 O6 -","- C18 H25 N2 O6 -","- C72 H100 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020788","8.8898","0.0008","10.5671","0.0009","16.154","0.001","90","0.002","92.938","0.002","90.001","0.002","1515.5","0.2","293.2","","293.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 N3 O3 S -","- C36 H37 N3 O3 S -","- C72 H74 N6 O6 S2 -","2","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020789","7.1557","0.0009","7.5846","0.0009","36.427","0.004","90.005","0.002","90.002","0.002","89.94","0.002","1977","0.4","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N10 O10 -","- C18 H26 N2 O6 -","- C72 H104 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020790","5.726","0.001","9.535","0.002","16.038","0.003","82.246","0.003","89.04","0.01","76.958","0.007","845.1","0.3","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020791","14.908","0.002","8.2274","0.0009","18.524","0.002","90","","109.164","0.003","90","","2146.1","0.4","293.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020792","13.392","0.002","10.953","0.001","28.412","0.002","89","","89","","90","","4167.2","0.8","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C224 H208 O16 -","8","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020793","10.085","0.004","20.08","0.007","5.43","0.002","90","","90.23","0.02","90","","1099.6","0.6","213","1","213","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F N O5 S -","- C10 H8 F N O5 S -","- C40 H32 F4 N4 O20 S4 -","4","1","","Katsutoshi Suzuki; Toshio Fuchigami","Electrolytic Partial Fluorination of Organic Compounds. 71. Highly Diastereoselective Anodic Fluorination of Sulfides Having Oxygen-Containing Heterocyclic Groups","Journal of Organic Chemistry","2004","69","","1276","1282","10.1021/jo035291j","","","","","","","0.0869","","","0.176","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020794","8.4301","0.0006","11.752","0.0009","21.968","0.0017","90","","90","","90","","2176.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C72 H120 I8 O16 -","8","1","","Francesca Peri; Enrico Binassi; Antonio Manetto; Emanuela Marotta; Andrea Mazzanti; Paolo Righi; Noemi Scardovi; Goffredo Rosini","Preparation of Bicyclo[3.2.0]heptane-2-endo,7-endo-diols: 1,3-Diols with a Chiral Rigid Backbone","Journal of Organic Chemistry","2004","69","","1353","1356","10.1021/jo035324v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020795","9.6661","0.0006","9.9694","0.0006","21.165","0.0014","90","","90","","90","","2039.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Shawn R. Hitchcock; David M. Casper; Jeremy F. Vaughn; Jennifer M. Finefield; Gregory M. Ferrence; Joel M. Esken","Intramolecular Chiral Relay at Stereogenic Nitrogen. Synthesis and Application of a New Chiral Auxiliary Derived from (1R,2S)-Norephedrine and Acetone","Journal of Organic Chemistry","2004","69","","714","718","10.1021/jo035325n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020796","7.4888","0.0005","15.2345","0.0011","10.0221","0.0005","90","","98.888","0.005","90","","1129.67","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","","Urlam Murali Krishna; Kodand D. Deodhar; Girish K. Trivedi; Shaikh M. Mobin","Novel Route to Functionalized Cyclooctanoids via [5+3] Cycloaddition","Journal of Organic Chemistry","2004","69","","967","969","10.1021/jo0353583","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020797","10.502","0.0013","10.656","0.001","12.985","0.0018","90","","109.664","0.01","90","","1368.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Urlam Murali Krishna; Kodand D. Deodhar; Girish K. Trivedi; Shaikh M. Mobin","Novel Route to Functionalized Cyclooctanoids via [5+3] Cycloaddition","Journal of Organic Chemistry","2004","69","","967","969","10.1021/jo0353583","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020798","5.9032","0.0004","15.6841","0.0012","12.9404","0.001","90","","100.906","0.003","90","","1176.47","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O11 S2 -","- C22 H24 O11 S2 -","- C44 H48 O22 S4 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020799","6.9869","0.0001","10.6937","0.0002","20.5161","0.0005","90","","90","","90","","1532.88","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O7 S -","- C15 H16 O7 S -","- C60 H64 O28 S4 -","4","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020800","10.3321","0.0002","13.48","0.0003","11.4618","0.0002","90","","107.376","0.002","90","","1523.51","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C72 H60 Br4 O12 -","4","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020801","5.7909","0.0003","9.3699","0.0004","15.5907","0.0008","90","","95.641","0.002","90","","841.86","0.07","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020802","9.0331","0.0012","9.5368","0.0013","11.185","0.0016","106.07","0.003","111.336","0.002","102.614","0.003","805.77","0.19","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br2 N O2 -","- C16 H21 Br2 N O2 -","- C32 H42 Br4 N2 O4 -","2","1","","Fedor I. Zubkov; Eugenia V. Nikitina; Konstantin F. Turchin; Grigorii G. Aleksandrov; Anastasia A. Safronova; Roman S. Borisov; Alexey V. Varlamov","Wagner-Meerwein Skeletal Rearrangement of 3-Spiroannulated 6,8a-Epoxy- and 6,8a;7,8-Diepoxyisoquinolines (3-Aza-11-oxatricyclo[6.2.1.0^1,6^]undec-9-enes). Isolation and Identification of 5-Aza-2-oxatricyclo[6.2.1.0^3,9^]undec-3-enes","Journal of Organic Chemistry","2004","69","","432","438","10.1021/jo0353684","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020803","9.1726","0.0017","9.903","0.0019","10.0782","0.0019","112.099","0.003","101.216","0.004","96.596","0.004","814","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Fedor I. Zubkov; Eugenia V. Nikitina; Konstantin F. Turchin; Grigorii G. Aleksandrov; Anastasia A. Safronova; Roman S. Borisov; Alexey V. Varlamov","Wagner-Meerwein Skeletal Rearrangement of 3-Spiroannulated 6,8a-Epoxy- and 6,8a;7,8-Diepoxyisoquinolines (3-Aza-11-oxatricyclo[6.2.1.0^1,6^]undec-9-enes). Isolation and Identification of 5-Aza-2-oxatricyclo[6.2.1.0^3,9^]undec-3-enes","Journal of Organic Chemistry","2004","69","","432","438","10.1021/jo0353684","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020804","10.01","0.0003","6.249","0.0002","13.879","0.0005","90","","101.145","0.001","90","","851.79","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","cis-4-hydroxypiperidinone","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020805","6.188","0.0005","9.629","0.0008","14.732","0.0012","90","","98.87","0.004","90","","867.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","enol form of 4,6-dioxopipridine 4a","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020806","6.24","0.0002","13.546","0.0004","29.709","0.0009","90","","90","","90","","2511.21","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","trans-4-hydroxy-pipecolate derivative","","","- C22 H30 N2 O8 -","- C22 H30 N2 O8 -","- C88 H120 N8 O32 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020807","9.8807","0.0004","9.8807","0.0004","14.949","0.001","90","","90","","120","","1263.92","0.11","293","2","293","2","","","","","","","","4","P 31","P 31","144","pipecolate derivative","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C45 H75 N3 O12 -","3","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020808","25.067","0.003","5.9507","0.0008","33.816","0.005","90","","100.497","0.002","90","","4959.9","1.2","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020809","10.205","0.003","11.005","0.004","14.124","0.005","93.024","0.006","102.766","0.006","99.552","0.006","1519","0.8","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 Cl3 O8 -","- C29 H33 Cl3 O8 -","- C58 H66 Cl6 O16 -","2","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020810","11.525","0.004","12.933","0.005","17.095","0.006","90","","94.762","0.007","90","","2539.3","1.5","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C112 H128 O32 -","4","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020811","6.3899","0.0016","9.466","0.002","13.63","0.004","100.278","0.003","102.391","0.004","99.08","0.004","775.6","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","","James E. Tarver, Jr.; Madeleine M. Joullié","Synthesis of γ,δ-Unsaturated and γ,ε-Unsaturated α-Amino Acids from Fragmentation of γ- and δ-Lactones","Journal of Organic Chemistry","2004","69","","815","820","10.1021/jo035401m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020812","12.8067","0.0008","7.4743","0.0005","22.3194","0.0014","90","","102.372","0.001","90","","2086.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Daniele Casarini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 97. Structure, Conformation, Stereodynamics and Enantioseparation of Aryl Substituted Norbornanes","Journal of Organic Chemistry","2004","69","","345","351","10.1021/jo035411n","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020813","8.969","0.001","12.185","0.002","20.729","0.004","90","","90","","90","","2265.4","0.6","100","2","100","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C21 H28 N4 O7 -","- C21 H28 N4 O7 -","- C84 H112 N16 O28 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020814","8.3587","0.0002","13.4737","0.0003","15.2534","0.0004","90","","90","","90","","1717.88","0.07","100","2","100","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C15 H25 F6 O P -","- C15 H25 F6 O P -","- C60 H100 F24 O4 P4 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020816","21.517","0.004","7.416","0.002","24.716","0.005","90","","109.82","0.02","90","","3710.4","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 F3 O4 S -","- C18 H19 F3 O4 S -","- C144 H152 F24 O32 S8 -","8","1","","Yu-Shiang Lin; Shi-Yi Chang; Ming-Shyong Yang; Chitneni Prasad Rao; Rama Krishna Peddinti; Yow-Fu Tsai; Chun-Chen Liao","Diels-Alder Reactions of 4-Triflyloxy-2,6,6-trimethyl-2,4-cyclohexadienone. An Expedient Methodology for the Synthesis of Bicyclo[2.2.2]oct-5-en-2-ones and Bicyclo[2.2.2]octa-5,7-dien-2-ones","Journal of Organic Chemistry","2004","69","","447","458","10.1021/jo035429y","","","","","","","0.0837","","","0.2795","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020817","5.585","0.002","15.254","0.006","21.048","0.008","90","","90","","90","","1793.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","","Juhienah K. Khalaf; Apurba Datta","An Efficient and Highly Stereocontrolled Route to Bulgecinine hydrochloride.","Journal of Organic Chemistry","2004","69","","387","390","10.1021/jo035441q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020818","15.952","0.002","18.974","0.001","7.667","0.002","90","","90","","90","","2320.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Hideto Miyabe; Yousuke Yamaoka; Takeaki Naito; Yoshiji Takemoto","Palladium-Indium Iodide-Mediated Allylation and Propargylation of Glyoxylic Oxime Ether and Hydrazone: The Role of Water in Directing the Diastereoselective Allylation","Journal of Organic Chemistry","2004","69","","1415","1418","10.1021/jo035442i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020819","6.3512","0.0002","19.182","0.001","22.116","0.0009","90","","91.623","0.003","90","","2693.3","0.2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C72 H144 N24 O60 -","12","3","","Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi","Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework","Journal of Organic Chemistry","2004","69","","475","481","10.1021/jo0354443","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020820","6.3253","0.0004","13.884","0.001","10.506","0.001","90","","91.63","0.005","90","","922.3","0.12","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N2 O8 -","- C16 H24 N2 O8 -","- C32 H48 N4 O16 -","2","1","","Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi","Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework","Journal of Organic Chemistry","2004","69","","475","481","10.1021/jo0354443","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020821","14.5155","0.001","6.3411","0.001","20.747","0.001","90","","108.151","0.01","90","","1814.6","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 -","- C22 H32 -","- C88 H128 -","4","1","","Akin Azizoǧlu; Recep Özen; Tuncer Hökelek; Metin Balci","Incorporation of an Allene Unit into α-Pinene: Generation of the Cyclic Allene 2,7,7-Trimethylbicyclo[4.1.1]octa-2,3-diene and Its Dimerization","Journal of Organic Chemistry","2004","69","","1202","1206","10.1021/jo035450z","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020822","11.3287","0.0004","21.4409","0.0008","14.6543","0.0006","90","","102.941","0.001","90","","3469.1","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H33 N7 O7 -","- C39 H33 N7 O7 -","- C156 H132 N28 O28 -","4","1","","Mickaël Pauvert; Patrick Laine; Marco Jonas; Olaf Wiest","Toward an Artificial Oxidative DNA Photolyase","Journal of Organic Chemistry","2004","69","","543","548","10.1021/jo0354600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020823","15.5081","0.0003","21.0872","0.0004","7.0796","0.0001","90","","90","","90","","2315.18","0.08","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020824","11.0801","0.0009","20.731","0.002","10.85","0.0009","90","","90","","90","","2492.2","0.4","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O3 -","- C29 H36 O3 -","- C116 H144 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020825","6.7469","0.0003","15.7432","0.0008","23.136","0.0012","90","","90","","90","","2457.5","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N2 O4 -","- C27 H27 Cl N2 O4 -","- C108 H108 Cl4 N8 O16 -","4","1","","James R. Burgeson; Matthew K. Renner; Ingo Hardt; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock","Toward the Development of a Structurally Novel Class of Chiral Auxiliaries. Conformational Properties of the Aldol Adducts of Oxadiazinones: Observation of Unusual Shielding Effects","Journal of Organic Chemistry","2004","69","","727","734","10.1021/jo035481u","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020826","8.6202","0.0004","10.0407","0.0005","18.1422","0.0009","90","","90","","90","","1570.26","0.13","198","2","198","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020827","14.5229","0.0017","7.5825","0.0009","14.5426","0.0018","90","","96.375","0.002","90","","1591.5","0.3","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O8 Si -","- C33 H44 O8 Si -","- C66 H88 O16 Si2 -","2","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020828","12.9","0.005","7.216","0.002","13.626","0.003","90","","116.23","0.02","90","","1137.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 I O3 -","- C11 H9 I O3 -","- C44 H36 I4 O12 -","4","1","","Shengming Ma; Bin Wu; Zhangjie Shi","An Efficient Synthesis of 4-Halo-5-hydroxyfuran-2(5H)-ones via the Sequential Halolactonization and γ-Hydroxylation of 4-Aryl-2,3-alkadienoic Acids","Journal of Organic Chemistry","2004","69","","1429","1431","10.1021/jo0355698","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020829","9.654","0.002","12.542","0.002","13.779","0.003","102.905","0.003","105.5","0.003","107.444","0.003","1447.7","0.5","100","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H78 Cl6 O4 -","- C64 H78 Cl6 O4 -","- C64 H78 Cl6 O4 -","1","0.5","","Samah Simaan; Silvio E. Biali","A ""Classical"" Tetrahydroxycalix[4]arene Adopting the 1,2-Alternate Conformation","Journal of Organic Chemistry","2004","69","","95","98","10.1021/jo035573j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020830","5.0372","0.0012","23.824","0.005","9.899","0.002","90","","98.69","0.02","90","","1174.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0441","","","0.1163","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020831","7.902","0.002","8.256","0.003","8.859","0.003","78.4","0.02","76.73","0.02","87.96","0.03","551","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0327","","","0.091","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020832","8.056","0.005","8.326","0.005","8.751","0.006","77.78","0.05","78.13","0.05","89.88","0.05","560.9","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.049","","","0.1271","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020833","7.889","0.005","8.294","0.005","8.727","0.005","79.7","0.05","74.71","0.04","87.15","0.05","541.9","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0297","","","0.0835","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020834","10.115","0.0001","7.9411","0.0001","12.0742","0.0001","90","","109.922","0.001","90","","911.812","0.016","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","José Luis García Ruano; Carlos Alemparte","Synthesis and Dienophilic Behavior of (S)-2-Cyano-3-(p-tolylsulfinyl)-1,4-benzoquinone","Journal of Organic Chemistry","2004","69","","1405","1408","10.1021/jo035629+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020835","9.152","0.002","10.857","0.001","16.9778","0.0009","90","","104.2","0.008","90","","1635.4","0.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Ian W. Davies; Jean-François Marcoux; Jeffery T. Kuethe; Michael D. Lankshear; Jeremy D. O. Taylor; Nancy Tsou; Peter G. Dormer; David L. Hughes; K. N. Houk; Vildan Guner","Demonstrating the Synergy of Synthetic, Mechanistic, and Computational Studies in a Regioselective Aniline Synthesis","Journal of Organic Chemistry","2004","69","","1298","1308","10.1021/jo035677u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020836","9.7224","0.0008","10.4293","0.0009","10.3489","0.0009","90","","104.695","0.002","90","","1015.03","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 N4 O5 -","- C19 H32 N4 O5 -","- C38 H64 N8 O10 -","2","1","","I. Nageshwara Rao; Anima Boruah; S. Kiran Kumar; A. C. Kunwar; A. Sivalakshmi Devi; K. Vyas; Krishnan Ravikumar; Javed Iqbal","Synthesis and Conformational Studies of Novel Cyclic Peptides Constrained into a 3~10~ Helical Structure by a Heterochiral D-Pro-L-Pro Dipeptide Template","Journal of Organic Chemistry","2004","69","","2181","2184","10.1021/jo030282w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020837","18.076","0.0005","8.1759","0.0003","14.5553","0.0005","90","","110.453","0.005","90","","2015.5","0.1","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Sini<sa Marinkovi<c; Cédric Brulé; Norbert Hoffmann; Elise Prost; Jean-Marc Nuzillard; Véonique Bulach","Origin of Chiral Induction in Radical Reactions with the Diastereoisomers (5R)- and (5S)-5-l-Menthyloxyfuran-2[5H]-one","Journal of Organic Chemistry","2004","69","","1646","1651","10.1021/jo030292x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020838","15.7206","0.0011","15.8605","0.0011","18.2303","0.0012","81.082","0.001","72.176","0.001","61.715","0.001","3810.4","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H44 B N8 O4.5 Re -","- C33.75 H36 B N8 O4.5 Re -","- C135 H144 B4 N32 O18 Re4 -","4","2","","Fei Ding; Mark T. Valahovic; Joseph M. Keane; Mitchell R. Anstey; Michal Sabat; Carl O. Trindle; W. Dean Harman","Diastereo- and Enantioselective Dearomatization of Rhenium-Bound Naphthalenes","Journal of Organic Chemistry","2004","69","","2257","2267","10.1021/jo030318k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020839","9.6577","0.0007","14.0528","0.001","15.9393","0.0011","96.439","0.001","103.19","0.001","108.563","0.001","1956.2","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 B N7 O8 Re -","- C38 H47 B N7 O8 Re -","- C76 H94 B2 N14 O16 Re2 -","2","1","","Fei Ding; Mark T. Valahovic; Joseph M. Keane; Mitchell R. Anstey; Michal Sabat; Carl O. Trindle; W. Dean Harman","Diastereo- and Enantioselective Dearomatization of Rhenium-Bound Naphthalenes","Journal of Organic Chemistry","2004","69","","2257","2267","10.1021/jo030318k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020840","14.5102","0.0013","11.6817","0.001","7.7251","0.0007","90","","103.101","0.002","90","","1275.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Ben W. Greatrex; Dennis K. Taylor; Edward R. T. Tiekink","A Domino Ring-Opening/Epoxidation of 1,2-Dioxines","Journal of Organic Chemistry","2004","69","","2580","2583","10.1021/jo0303315","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020841","8.271","0.002","7.096","0.002","15.278","0.003","90","","94.74","0.03","90","","893.6","0.4","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl N2 O -","- C20 H23 Cl N2 O -","- C40 H46 Cl2 N4 O2 -","2","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020842","7.871","0.002","10.716","0.003","20.54","0.004","90","","90","","90","","1732.5","0.7","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1S,3R,4S,8S,9R)-9-bromo-cinchonane","","","- C19 H21 Br N2 -","- C19 H21 Br N2 -","- C76 H84 Br4 N8 -","4","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020843","8.641","0.002","10.306","0.002","17.176","0.003","90","","90","","90","","1529.6","0.5","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","E-Cinchene","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020844","6.827","0.002","13.885","0.003","8.545","0.003","90","","90.7","0.03","90","","809.9","0.4","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020845","5.9571","0.0006","14.09","0.0014","13.521","0.0014","90","","96.877","0.002","90","","1126.7","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br2 O2 -","- C10 H14 Br2 O2 -","- C40 H56 Br8 O8 -","4","1","","Andrew G. Myers; Miki Sogi; Michael A. Lewis; Stephen P. Arvedson","Synthetic and Theoretical Studies of Cyclobuta[1,2:3,4]dicyclopentene. Organocobalt Intermediates in the Construction of the Unsaturated Carbon Skeleton and Their Transformation into Novel Cobaltacyclic Complexes by C-C Insertion","Journal of Organic Chemistry","2004","69","","2516","2525","10.1021/jo030368p","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020846","7.3919","0.0011","17.188","0.002","13.0077","0.0018","90","","104.885","0.003","90","","1597.2","0.4","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Co O2 -","- C20 H23 Co O2 -","- C80 H92 Co4 O8 -","4","1","","Andrew G. Myers; Miki Sogi; Michael A. Lewis; Stephen P. Arvedson","Synthetic and Theoretical Studies of Cyclobuta[1,2:3,4]dicyclopentene. Organocobalt Intermediates in the Construction of the Unsaturated Carbon Skeleton and Their Transformation into Novel Cobaltacyclic Complexes by C-C Insertion","Journal of Organic Chemistry","2004","69","","2516","2525","10.1021/jo030368p","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020847","9.7071","0.0019","15.745","0.003","12.423","0.003","90","","95.37","0.03","90","","1890.3","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 B N O7 S -","- C42 H38 B N O7 S -","- C84 H76 B2 N2 O14 S2 -","2","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020848","11.244","0.002","17.11","0.003","21.395","0.004","90","","90","","90","","4116.2","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 B N O7 S -","- C46 H48 B N O7 S -","- C184 H192 B4 N4 O28 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020849","31.2194","0.0016","31.2194","0.0016","9.953","0.0007","90","","90","","90","","9700.7","1","293","2","293","2","","","","","","","","7","I 4","I 4","79","","","","- C46 H50 B N O7 S Si -","- C46 H50 B N O7 S Si -","- C368 H400 B8 N8 O56 S8 Si8 -","8","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020850","13.8","0.003","16.271","0.003","19.707","0.004","90","","90","","90","","4424.8","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 B N O9 S -","- C48 H50 B N O9 S -","- C192 H200 B4 N4 O36 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020851","13.922","0.003","16.261","0.003","20.062","0.004","90","","90","","90","","4541.6","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H54 B N O9 S -","- C51 H54 B N O9 S -","- C204 H216 B4 N4 O36 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020852","10.4099","0.0016","10.5","0.0006","11.026","0.004","69.202","0.013","73.85","0.02","81.188","0.008","1080.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br O4 S -","- C23 H25 Br O4 S -","- C46 H50 Br2 O8 S2 -","2","1","","Veejendra K. Yadav; K. Ganesh Babu; Masood Parvez","Do the Electronic Effects of Sulfur Indeed Control the π-Selectivity of γ-Sulfenyl Enones? An Investigation","Journal of Organic Chemistry","2004","69","","3866","3874","10.1021/jo034608c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020853","10.201","0.003","14.241","0.005","10.733","0.003","90","","97.607","0.017","90","","1545.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C60 H88 O12 S4 -","4","1","","Veejendra K. Yadav; K. Ganesh Babu; Masood Parvez","Do the Electronic Effects of Sulfur Indeed Control the π-Selectivity of γ-Sulfenyl Enones? An Investigation","Journal of Organic Chemistry","2004","69","","3866","3874","10.1021/jo034608c","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020854","7.556","0.0003","11.3326","0.0004","17.5119","0.0007","85.896","0.002","77.828","0.003","73.671","0.002","1406.57","0.09","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H32 O8 -","- C33 H32 O8 -","- C66 H64 O16 -","2","1","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020855","20.504","0.008","12.287","0.0007","16.889","0.0004","90","","120.36","0.05","90","","3671.4","1.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H40 N4 O6 -","- C39 H40 N4 O6 -","- C156 H160 N16 O24 -","4","0.5","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020856","21.506","0.008","15.279","0.005","21.305","0.007","90","","90","","90","","7001","4","223","2","223","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C65 H88 N20 O14 S4 -","- C47 H50.982 N20 O4.5 S3 -","- C188 H203.928 N80 O18 S12 -","4","0.5","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020857","23.519","0.004","23.519","0.004","10.2647","0.0013","90","","90","","90","","5677.8","1.4","223","2","223","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C85 H144 N24 O24 S8 -","- C86.572 H96 N24 O12 S8 -","- C173.144 H192 N48 O24 S16 -","2","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020858","11.517","0.007","7.363","0.01","18.932","0.011","90","","97.29","0.06","90","","1592","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Br Cl N O2 -","- C16 H21 Br Cl N O2 -","- C64 H84 Br4 Cl4 N4 O8 -","4","1","","P. Ganapati Reddy; Sundarababu Baskaran","Epoxide-Initiated Cationic Cyclization of Azides: A Novel Method for the Stereoselective Construction of 5-Hydroxymethyl Azabicyclic Compounds and Application in the Stereo- and Enantioselective Total Synthesis of (+)- and (-)-Indolizidine 167B and 209D","Journal of Organic Chemistry","2004","69","","3093","3101","10.1021/jo035258x","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020859","8.8511","0.0007","14.341","0.001","9.5857","0.0008","90","","107.198","0.003","90","","1162.4","0.2","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O2 -","- C30 H28 O2 -","- C60 H56 O4 -","2","0.5","","Koji Miki; Tomomi Yokoi; Fumiaki Nishino; Yumiko Kato; Yosuke Washitake; Kouichi Ohe; Sakae Uemura","Catalytic Cyclopropanation of Alkenes via (2-Furyl)carbene Complexes from 1-Benzoyl-cis-1-buten-3-yne with Transition Metal Compounds","Journal of Organic Chemistry","2004","69","","1557","1564","10.1021/jo0352732","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020860","15.9721","0.0003","8.8039","0.0002","11.4004","0.0003","90","","90","","90","","1603.09","0.05","173.15","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Koji Miki; Tomomi Yokoi; Fumiaki Nishino; Yumiko Kato; Yosuke Washitake; Kouichi Ohe; Sakae Uemura","Catalytic Cyclopropanation of Alkenes via (2-Furyl)carbene Complexes from 1-Benzoyl-cis-1-buten-3-yne with Transition Metal Compounds","Journal of Organic Chemistry","2004","69","","1557","1564","10.1021/jo0352732","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020861","25.711","0.002","37.26","0.003","10.0841","0.0009","90","","90","","90","","9660.5","1.5","496","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C74 H119 N20 O21 S5 -","- C83 H86 N20 O13 S5 -","- C332 H344 N80 O52 S20 -","4","1","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of Pentaerythrityl Tetraphenyl Ether","Journal of Organic Chemistry","2004","69","","1776","1787","10.1021/jo035311h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020862","27.7337","0.001","27.7337","0.001","10.4865","0.0004","90","","90","","90","","8065.8","0.5","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C73 H104 N20 O20 -","- C73 H104 N20 O20 -","- C292 H416 N80 O80 -","4","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of Pentaerythrityl Tetraphenyl Ether","Journal of Organic Chemistry","2004","69","","1776","1787","10.1021/jo035311h","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020863","7.412","0.002","16.002","0.002","17.682","0.002","90","","93.58","0.02","90","","2092.9","0.7","298.2","","298.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 O2 Se2 -","- C26 H16 O2 Se2 -","- C104 H64 O8 Se8 -","4","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0464","","","0.0291","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020864","7.042","0.004","17.325","0.004","18.471","0.002","90","","94.41","0.02","90","","2246","1","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Cl2 O2 Se2 -","- C26 H14 Cl2 O2 Se2 -","- C104 H56 Cl8 O8 Se8 -","4","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0484","","","0.038","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020865","10.93","0.003","13.673","0.004","8.052","0.002","96.64","0.02","102.2","0.03","106.48","0.02","1107.9","0.6","298.2","","298.2","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 O Se2 -","- C27 H20 O Se2 -","- C54 H40 O2 Se4 -","2","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0401","","","0.0303","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020866","10.598","0.003","11.575","0.003","9.947","0.003","113.59","0.02","95.42","0.02","109.39","0.02","1017.6","0.6","292.2","","292.2","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 Se2 -","- C26 H18 Se2 -","- C52 H36 Se4 -","2","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0342","","","0.026","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020867","10.522","0.002","13.161","0.003","8.029","0.002","92.72","0.02","97.54","0.02","95.4","0.02","1095.4","0.4","299.2","","299.2","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 Cl2 Se2 -","- C26 H16 Cl2 Se2 -","- C52 H32 Cl4 Se4 -","2","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0484","","","0.0911","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020868","8.851","0.001","20.845","0.004","15.702","0.002","90","","130.56","0.01","90","","2201.1","0.5","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O2 S3 -","- C22 H28 O2 S3 -","- C88 H112 O8 S12 -","4","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020869","8.872","0.0004","20.951","0.0009","13.5318","0.0006","90","","121.602","0.0018","90","","2142.3","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O2 S3 -","- C22 H28 O2 S3 -","- C88 H112 O8 S12 -","4","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","201219","2020-10-21","18:00:00",""
"4020870","13.217","0.004","15.6","0.004","10.223","0.003","90","","90","","90","","2108","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O S3 -","- C22 H28 O S3 -","- C88 H112 O4 S12 -","4","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020871","6.546","0.002","9.62","0.003","17.794","0.005","86.5","0.02","79.83","0.02","71.312","0.011","1044.8","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O S3 -","- C22 H28 O S3 -","- C44 H56 O2 S6 -","2","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","201219","2020-10-21","18:00:00",""
"4020872","30.408","0.002","32.819","0.002","6.0421","0.0004","90","","90","","90","","6029.8","0.7","293","","293","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H21 Cl O3.5 P3 Pt -","- C6 H20 Cl O3.5 P3 Pt -","- C96 H320 Cl16 O56 P48 Pt16 -","16","1","","Xiao-bin Jiang; Adriaan J. Minnaard; Ben L. Feringa; Johannes G. de Vries","Platinum-Catalyzed Selective Hydration of Hindered Nitriles and Nitriles with Acid- or Base-Sensitive Groups","Journal of Organic Chemistry","2004","69","","2327","2331","10.1021/jo035487j","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020873","10.672","0.003","13.741","0.004","20.206","0.006","109.772","0.007","99.286","0.006","92.006","0.006","2739.1","1.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C78 H64 -","- C78 H64 -","- C156 H128 -","2","1","","Carlos E. Godinez; Gerardo Zepeda; Christopher J. Mortko; Hung Dang; Miguel A. García-Garibay","Molecular Crystals with Moving Parts: Synthesis, Characterization, and Crystal Packing of Molecular Gyroscopes with Methyl-Substituted Triptycyl Frames","Journal of Organic Chemistry","2004","69","","1652","1662","10.1021/jo035517i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020874","9.4694","0.0011","16.0213","0.0018","21.933","0.003","81.887","0.002","78.878","0.002","89.388","0.002","3231.9","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H76 Br2 -","- C80 H76 Br2 -","- C160 H152 Br4 -","2","1","","Carlos E. Godinez; Gerardo Zepeda; Christopher J. Mortko; Hung Dang; Miguel A. García-Garibay","Molecular Crystals with Moving Parts: Synthesis, Characterization, and Crystal Packing of Molecular Gyroscopes with Methyl-Substituted Triptycyl Frames","Journal of Organic Chemistry","2004","69","","1652","1662","10.1021/jo035517i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020875","5.986","0.004","10.321","0.005","19.807","0.007","90","","90","","90","","1223.7","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N O5 -","- C11 H17 N O5 -","- C44 H68 N4 O20 -","4","1","","François-Xavier Felpin; Kamal Boubekeur; Jacques Lebreton","First Total Synthesis of 1-O-β-D-Glucopyranosyl-5-deoxyadenophorine and Its Aglycon Congener: Determination of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","1497","1503","10.1021/jo035522m","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020876","11.8157","0.0011","8.0795","0.0008","14.0426","0.0013","90","","103.056","0.002","90","","1305.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 I N4 O -","- C12 H13 I N4 O -","- C48 H52 I4 N16 O4 -","4","1","","Chia-Hui Chien; Man-kit Leung; Jen-Kuan Su; Gene-Hsiang Li; Yi-Hung Liu; Yu Wang","Substituent Effects on Pyrid-2-yl Ureas toward Intramolecular Hydrogen Bonding and Cytosine Complexation","Journal of Organic Chemistry","2004","69","","1866","1871","10.1021/jo0355808","","","","","","","0.0131","","","0.0332","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020877","7.67","0.0002","12.2458","0.0003","16.1077","0.0004","70.079","0.001","87.329","0.001","72.545","0.001","1354.29","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 I N4 O -","- C12 H13 I N4 O -","- C48 H52 I4 N16 O4 -","4","2","","Chia-Hui Chien; Man-kit Leung; Jen-Kuan Su; Gene-Hsiang Li; Yi-Hung Liu; Yu Wang","Substituent Effects on Pyrid-2-yl Ureas toward Intramolecular Hydrogen Bonding and Cytosine Complexation","Journal of Organic Chemistry","2004","69","","1866","1871","10.1021/jo0355808","","","","","","","0.071","","","0.1797","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020878","6.3446","0.0014","11.258","0.003","11.961","0.003","84.948","0.004","80.144","0.004","87.036","0.004","837.9","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Sidika Polat Cakir; Keith T. Mead","Stereoselective Approach to C-Aryl Pyranoside Synthesis Which Addresses the Problem of C7-Substitution in Blepharocalyxin E","Journal of Organic Chemistry","2004","69","","2203","2205","10.1021/jo0355909","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020879","8.82","0.003","8.86","0.003","9.678","0.003","66.573","0.006","85.647","0.007","74.639","0.006","668.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Sidika Polat Cakir; Keith T. Mead","Stereoselective Approach to C-Aryl Pyranoside Synthesis Which Addresses the Problem of C7-Substitution in Blepharocalyxin E","Journal of Organic Chemistry","2004","69","","2203","2205","10.1021/jo0355909","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020880","9.2978","0.001","22.629","0.003","33.188","0.004","90","","92.999","0.002","90","","6973.1","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C83 H61 Br3 Cl4 -","- C83 H61 Br3 Cl4 -","- C332 H244 Br12 Cl16 -","4","1","","Rajendra Rathore; Carrie L. Burns; Ilia A. Guzei","Synthesis and Isolation of Polytrityl Cations by Utilizing Hexaphenylbenzene and Tetraphenylmethane Scaffolds","Journal of Organic Chemistry","2004","69","","1524","1530","10.1021/jo035598i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020881","16.2423","0.0004","7.2172","0.0003","19.3736","0.0006","90","","94.098","0.002","90","","2265.24","0.13","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","0.5","","Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié","Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles","Journal of Organic Chemistry","2004","69","","2526","2531","10.1021/jo0356006","","","","","","","0.0444","","","0.1089","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020882","16.367","0.002","16.367","0.002","23.64","0.003","90","","90","","120","","5483.9","1.1","143","1","143","2","","","","","","","","3","P 61","P 61","169","","","","- C42 H42 O9 -","- C42 H42 O9 -","- C252 H252 O54 -","6","1","","Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié","Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles","Journal of Organic Chemistry","2004","69","","2526","2531","10.1021/jo0356006","","","","","","","0.0514","","","0.1352","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020883","6.1267","0.0012","19.345","0.004","16.534","0.003","90","","94.59","0.03","90","","1953.3","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B N O3 -","- C22 H24 B N O3 -","- C88 H96 B4 N4 O12 -","4","1","","Radek Pohl; Victor A. Montes; Joseph Shinar; Pavel Anzenbacher Jr.","Red-Green-Blue Emission from Tris(5-aryl-8-quinolinolate)Al(III) Complexes","Journal of Organic Chemistry","2004","69","","1723","1725","10.1021/jo035602q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020884","15.3827","0.0007","7.0604","0.0003","12.8704","0.0006","90","","91.103","0.001","90","","1397.57","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N4 O -","- C15 H24 N4 O -","- C60 H96 N16 O4 -","4","1","","Lei Yao; Brenton T. Smith; Jeffrey Aubé","Base-Promoted Reactions of Bridged Ketones and 1,3- and 1,4-Haloalkyl Azides: Competitive Alkylation vs Azidation Reactions of Ketone Enolates","Journal of Organic Chemistry","2004","69","","1720","1722","10.1021/jo0356098","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020885","21.31","0.02","9.721","0.008","8.755","0.005","89","","89","","90","","1813.4","0.2","296.1","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H16 O -","- C11 H16 O -","- C88 H128 O8 -","8","1","","Naoki Kise","Theoretical Study of Electroreductive Intramolecular Coupling of Nonconjugated Olefinic and Aromatic Ketones","Journal of Organic Chemistry","2004","69","","2147","2152","10.1021/jo0356255","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020886","10.527","0.001","12.1172","0.001","10.822","0.001","90","","96.238","0.01","90","","1372.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Marta Rosillo; Gema Domínguez; Luis Casarrubios; Ulises Amador; Javier Pérez-Castells","Tandem Enyne Metathesis-Diels-Alder Reaction for Construction of Natural Product Frameworks","Journal of Organic Chemistry","2004","69","","2084","2093","10.1021/jo0356311","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020887","10.681","0.009","10.761","0.003","17.409","0.004","74.34","0.07","72.41","0.05","71.5","0.11","1775.1","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 N3 O6 P S -","- C32 H48 N3 O6 P S -","- C64 H96 N6 O12 P2 S2 -","2","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020888","11.439","0.002","14.028","0.003","19.909","0.002","76.23","0.04","75.65","0.04","80.66","0.02","2987.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42 Cl N5 O4 P2 -","- C20 H42 Cl N5 O4 P2 -","- C80 H168 Cl4 N20 O16 P8 -","4","2","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020889","18.2506","0.0018","9.7929","0.0016","18.982","0.002","90","","109.54","0.04","90","","3197.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Cl F3 N5 O5 P2 -","- C22 H45 Cl F3 N5 O5 P2 -","- C88 H180 Cl4 F12 N20 O20 P8 -","4","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020890","15.1196","0.0018","17.9591","0.0016","25.632","0.002","90","0.04","90","0.04","90","0.02","6959.9","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C31 H42 Cl2 N3 O7 P -","- C31 H42 Cl2 N3 O7 P -","- C248 H336 Cl16 N24 O56 P8 -","8","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020891","12.4123","0.0007","16.2723","0.001","17.5862","0.001","63.796","0.001","70.904","0.001","79.273","0.001","3007.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62.5 H70 N3 O9 P -","- C62.5 H70 N3 O9 P -","- C125 H140 N6 O18 P2 -","2","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020892","9.6724","0.0008","11.9518","0.001","22.0645","0.0019","80.273","0.002","86.782","0.002","73.459","0.002","2409.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H124 N6 O18 P2 -","- C97 H123 N6 O18 P2 -","- C97 H123 N6 O18 P2 -","1","0.5","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020893","17.05","0.002","10.0336","0.0012","19.816","0.002","90","","92.216","0.002","90","","3387.5","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62 H88 N6 O12 P2 -","- C62 H88 N6 O12 P2 -","- C124 H176 N12 O24 P4 -","2","0.5","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020894","20.7843","0.0012","10.6218","0.0006","16.7361","0.001","90","","99.05","0.001","90","","3648.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 N2 O7 P S -","- C36 H47 N2 O7 P S -","- C144 H188 N8 O28 P4 S4 -","4","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020895","15.563","0.003","9.938","0.002","7.943","0.002","90","","97.24","0.03","90","","1218.7","0.4","140","1","140","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Robert A. Stockman; Alex Sinclair; Louise G. Arini; Peter Szeto; David L. Hughes","A Two-Directional Synthesis of (±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2004","69","","1598","1602","10.1021/jo035639a","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020896","28.183","0.006","9.362","0.0019","18.789","0.004","90","","98.44","0.03","90","","4903.7","1.7","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C208 H272 N48 O16 -","16","2","","Robert A. Stockman; Alex Sinclair; Louise G. Arini; Peter Szeto; David L. Hughes","A Two-Directional Synthesis of (±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2004","69","","1598","1602","10.1021/jo035639a","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020897","4.5856","0.001","14.54","0.003","10.52","0.002","90","","95.69","0.004","90","","698","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N3 O4 -","- C12 H21 N3 O4 -","- C24 H42 N6 O8 -","2","1","","D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé","Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers","Journal of Organic Chemistry","2004","69","","1716","1719","10.1021/jo035683q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020898","9.394","0.003","14.776","0.004","10.445","0.003","90","","107.214","0.006","90","","1384.9","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N3 O4 -","- C12 H21 N3 O4 -","- C48 H84 N12 O16 -","4","2","","D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé","Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers","Journal of Organic Chemistry","2004","69","","1716","1719","10.1021/jo035683q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020899","5.829","0.001","10.355","0.002","14.429","0.003","90","","98.19","0.02","90","","862","0.3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Cl2 O4 S4 -","- C15 H4 Cl2 O4 S4 -","- C30 H8 Cl4 O8 S8 -","2","0.5","","Frédéric Dumur; Nicolas Gautier; Nuria Gallego-Planas; Yücel Şahin; Eric Levillain; Nicolas Mercier; Piétrick Hudhomme; Matteo Masino; Alberto Girlando; Vega Lloveras; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira","Novel Fused D-A Dyad and A-D-A Triad Incorporating Tetrathiafulvalene and p-Benzoquinone","Journal of Organic Chemistry","2004","69","","2164","2177","10.1021/jo035689f","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020900","16.285","0.002","26.787","0.004","5.125","0.0006","90","","98.05","0.01","90","","2213.6","0.5","298.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 F2 N2 O3 -","- C21 H30 F2 N2 O3 -","- C84 H120 F8 N8 O12 -","4","2","","Akira Otaka; Junko Watanabe; Akira Yukimasa; Yoshikazu Sasaki; Hideaki Watanabe; Takayoshi Kinoshita; Shinya Oishi; Hirokazu Tamamura; Nobutaka Fujii","SmI~2~-Mediated Reduction of γ,γ-Difluoro-α,β-enoates with Application to the Synthesis of Functionalized (Z)-Fluoroalkene-Type Dipeptide Isosteres","Journal of Organic Chemistry","2004","69","","1634","1645","10.1021/jo035709d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020901","20.228","0.003","24.777","0.006","5.007","0.002","90.02","0.03","90","0.02","90.02","0.02","2509","1","298.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 F2 N2 O3 -","- C25 H30 F2 N2 O3 -","- C100 H120 F8 N8 O12 -","4","1","","Akira Otaka; Junko Watanabe; Akira Yukimasa; Yoshikazu Sasaki; Hideaki Watanabe; Takayoshi Kinoshita; Shinya Oishi; Hirokazu Tamamura; Nobutaka Fujii","SmI~2~-Mediated Reduction of γ,γ-Difluoro-α,β-enoates with Application to the Synthesis of Functionalized (Z)-Fluoroalkene-Type Dipeptide Isosteres","Journal of Organic Chemistry","2004","69","","1634","1645","10.1021/jo035709d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020902","18.7908","0.0004","18.7908","0.0004","8.8313","0.0003","90","","90","","90","","3118.28","0.14","150","1","150","1","","","","","","","","4","I 4","I 4","79","","","","- C18 H18.5 O1.25 S -","- C18 H18 O1.25 S -","- C144 H144 O10 S8 -","8","1","","Paul Leong; Mark Lautens","Rhodium-Catalyzed Asymmetric Ring Opening of Oxabicyclic Alkenes with Sulfur Nucleophiles","Journal of Organic Chemistry","2004","69","","2194","2196","10.1021/jo035730e","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020903","12.0277","0.0008","8.1746","0.0006","32.402","0.002","90","","92.259","0.002","90","","3183.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21.5 N O3.25 S -","- C15 H21 N O3.25 S -","- C120 H168 N8 O26 S8 -","8","2","","Perdip S. Bahia; John S. Snaith","Synthesis of 3-Substituted 4-Piperidinones via a One-Pot Tandem Oxidation-Cyclization-Oxidation Process: Stereodivergent Reduction to 3,4-Disubstituted Piperidines","Journal of Organic Chemistry","2004","69","","3226","3229","10.1021/jo0357418","","","","","","","0.0701","","","0.1518","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020904","10.4657","0.0005","10.8886","0.0006","12.9242","0.0007","90","","90","","90","","1472.8","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Waldemar Adam; Sara G. Bosio; Nicholas J. Turro; Barbara T. Wolff","Enecarbamates as Selective Substrates in Oxidations: Chiral-Auxiliary-Controlled Mode Selectivity and Diastereoselectivity in the [2+2] Cycloaddition and Ene Reaction of Singlet Oxygen and in the Epoxidation by DMD and mCPBA","Journal of Organic Chemistry","2004","69","","1704","1715","10.1021/jo035745c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020905","8.264","0.0007","11.829","0.001","12.102","0.001","90","","90","","90","","1183","0.2","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate","Journal of Organic Chemistry","2004","69","","3408","3412","10.1021/jo0357465","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020906","16.5752","0.0002","17.3959","0.0001","7.3023","0.0001","90","","90","","90","","2105.55","0.03","296.1","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C104 H80 O24 -","8","1","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate","Journal of Organic Chemistry","2004","69","","3408","3412","10.1021/jo0357465","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020907","5.232","0.003","9.09","0.004","32.408","0.016","90","","90","","90","","1541.4","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O5 S -","- C12 H23 N O5 S -","- C48 H92 N4 O20 S4 -","4","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020908","5.2293","0.0006","9.0539","0.001","32.279","0.004","90","","90","","90","","1528.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O5 S -","- C12 H23 N O5 S -","- C48 H92 N4 O20 S4 -","4","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020909","12.159","0.006","12.159","0.006","19.086","0.013","90","","90","","90","","2821","3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C88 H160 N32 O16 -","8","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020910","3.7763","0.0002","27.0492","0.0011","12.9087","0.0004","90","","94.877","0.003","90","","1313.8","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020911","3.8113","0.0013","24.552","0.006","14.056","0.005","90","","94.123","0.011","90","","1311.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020912","7.3213","0.0003","14.3519","0.0005","12.4801","0.0006","90","","90.206","0.003","90","","1311.33","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020913","8.7475","0.0013","11.3927","0.0015","14.991","0.002","67.544","0.017","77.59","0.02","67.938","0.018","1275.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F6 N4 O7 S3 -","- C20 H16 F6 N4 O7 S3 -","- C40 H32 F12 N8 O14 S6 -","2","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020914","22.3292","0.0018","15.1543","0.001","8.8149","0.0008","90","","90","","90","","2982.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H24 Br2 N4 O3 S -","- C30 H24 Br2 N4 O3 S -","- C120 H96 Br8 N16 O12 S4 -","4","0.5","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020915","17.386","0.01","6.908","0.003","20.683","0.012","90","","113.937","0.007","90","","2270","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N4 O7 S -","- C22 H18 Cl2 N4 O7 S -","- C88 H72 Cl8 N16 O28 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020916","20.374","0.012","7.055","0.003","21.396","0.01","90","","96.54","0.04","90","","3056","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H23 N11 O3 S2 -","- C35 H23 N11 O3 S2 -","- C140 H92 N44 O12 S8 -","4","0.5","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020917","9.561","0.0019","11.203","0.002","11.353","0.002","90","","94.61","0.03","90","","1212.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020918","7.409","0.001","14.055","0.003","19.276","0.004","90","","90","","90","","2007.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C76 H96 N8 O24 S4 -","4","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","0.0485","","","0.1105","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020919","10.363","0.002","14.057","0.003","15.488","0.003","90","","90","","90","","2256.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020920","5.5024","0.0002","12.1266","0.0006","12.4407","0.0006","86.776","0.009","79.404","0.008","78.122","0.008","798.34","0.07","173.2","","173.2","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020921","13.8002","0.0017","6.3523","0.0007","13.4469","0.0018","90","","95.137","0.007","90","","1174.1","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020922","13.1235","0.0016","6.1476","0.0005","14.9542","0.0019","90","","100.931","0.006","90","","1184.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H39 N O3 -","- C26 H39 N O3 -","- C52 H78 N2 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020923","6.932","0.003","15.657","0.006","10.35","0.004","90","","100.866","0.007","90","","1103.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young, Jr.","Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines","Journal of Organic Chemistry","2004","69","","2551","2561","10.1021/jo035835h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020924","8.4404","0.0014","12.304","0.002","20.759","0.003","80.261","0.003","81.795","0.003","85.807","0.003","2100.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","03141b","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","4","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young, Jr.","Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines","Journal of Organic Chemistry","2004","69","","2551","2561","10.1021/jo035835h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020925","14.189","0.005","6.783","0.003","24.549","0.009","90","","102.298","0.006","90","","2308.5","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03140a","","","- C13 H6 F4 N2 S -","- C13 H6 F4 N2 S -","- C104 H48 F32 N16 S8 -","8","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young, Jr.","Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines","Journal of Organic Chemistry","2004","69","","2551","2561","10.1021/jo035835h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020926","10.5789","0.0002","5.1685","0.0001","36.6393","0.0007","90","","90","","90","","2003.33","0.07","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4","","","- C9 H12 O S2 -","- C9 H12 O S2 -","- C72 H96 O8 S16 -","8","2","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020927","14.1411","0.0002","17.8445","0.0001","7.7811","0.0001","90","","96.917","0.001","90","","1949.2","0.04","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(2)","","","- C12 H8 S4 -","- C12 H8 S4 -","- C72 H48 S24 -","6","1.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020928","9.5766","0.0002","9.0725","0.0002","16.959","0.0003","90","","90","","90","","1473.46","0.05","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2(3)","","","- C14 H12 S4 -","- C14 H12 S4 -","- C56 H48 S16 -","4","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020929","12.1967","0.0003","14.2401","0.0001","10.5372","0.0002","90","","110.299","0.001","90","","1716.46","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(4)","","","- C16 H16 S4 -","- C16 H16 S4 -","- C64 H64 S16 -","4","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020930","4.5655","0.0004","17.0633","0.0013","13.2346","0.0011","90","","91.344","0.003","90","","1030.72","0.15","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(5)","","","- C18 H20 S4 -","- C18 H20 S4 -","- C36 H40 S8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020931","9.0535","0.0002","17.2585","0.0003","13.7264","0.0003","90","","94.414","0.001","90","","2138.39","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(5)toluene","","","- C21.5 H24 S4 -","- C21.5 H24 S4 -","- C86 H96 S16 -","4","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020932","7.8752","0.0005","10.7861","0.0007","8.9165","0.0006","90","","109.52","0.002","90","","713.86","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9(2)","","","- C12 H8 Se4 -","- C12 H8 Se4 -","- C24 H16 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020933","8.849","0.0001","9.993","0.0003","9.089","0.0003","90","","104.429","0.002","90","","778.37","0.04","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9(3)","","","- C14 H12 Se4 -","- C14 H12 Se4 -","- C28 H24 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020934","9.4801","0.0011","11.537","0.0015","8.7178","0.0012","90","","116.882","0.004","90","","850.45","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9(4)","","","- C16 H16 Se4 -","- C16 H16 Se4 -","- C32 H32 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020935","4.5218","0.0002","17.4976","0.0007","13.9348","0.0006","90","","91.896","0.001","90","","1101.93","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Se4 -","- C22 H20 Se4 -","- C44 H40 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020936","19.2152","0.0011","11.9501","0.0007","10.3237","0.0006","90","","110.549","0.001","90","","2219.7","0.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","8(3)","","","- C21 H18 S6 -","- C20.999 H18 S6 -","- C83.996 H72 S24 -","4","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020937","6.2201","0.0002","14.9367","0.0005","14.375","0.0005","90","","102.156","0.001","90","","1305.6","0.08","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","8(4)","","","- C24 H24 S6 -","- C24 H24 S6 -","- C48 H48 S12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020938","13.5312","0.0002","14.4788","0.0001","18.022","0.0002","81.744","0.001","84.148","0.001","66.159","0.001","3192.28","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 S6 -","- C31 H32 S6 -","- C124 H128 S24 -","4","2","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020939","24.0134","0.0001","24.0134","0.0001","9.8698","0.0001","90","","90","","120","","4928.86","0.06","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 S6 -","- C32.09 H30 S6 -","- C192.54 H180 S36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020940","9.6703","0.0001","14.3531","0.0001","14.6377","0.0002","114.018","0.001","102.792","0.001","102.077","0.001","1704.47","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H38 S6 -","- C34 H38 S6 -","- C68 H76 S12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020941","44.8648","0.0003","5.4949","0.0001","25.2753","0.0004","90","","90","","90","","6231.06","0.16","298","2","298","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H24 Se6 -","- C31 H24 Se6 -","- C248 H192 Se48 -","8","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020942","9.0393","0.0004","14.0025","0.0006","14.8178","0.0006","63.236","0.001","78.332","0.001","84.873","0.001","1640","0.12","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 Se6 -","- C31 H32 Se6 -","- C62 H64 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020943","24.0399","0.0006","24.0399","0.0006","10.2535","0.0004","90","","90","","120","","5131.8","0.3","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C33.39 H30 Se6 -","- C200.34 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020944","23.907","0.002","23.907","0.002","10.123","0.001","90","","90","","120","","5010.6","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C27 H30 Se6 -","- C162 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020945","24.3194","0.0004","24.3194","0.0004","10.0783","0.0003","90","","90","","120","","5162.1","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H34 S Se6 -","- C31.08 H30 S1.02 Se6 -","- C186.48 H180 S6.12 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020946","24.5363","0.0006","24.5363","0.0006","10.0297","0.0003","90","","90","","120","","5229.2","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H37 N Se6 -","- C32.94 H30 N0.99 Se6 -","- C197.64 H180 N5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020947","24.5326","0.0005","24.5326","0.0005","9.9793","0.0003","90","","90","","120","","5201.4","0.2","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C33 H36 Se6 -","- C33.06 H33 Se6 -","- C198.36 H198 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020948","24.5349","0.0005","24.5349","0.0005","10.0177","0.0003","90","","90","","120","","5222.4","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","10(5)zeta_chlorobenzene","","","- C33 H35 Cl Se6 -","- C32.94 H34.95 Cl0.99 Se6 -","- C197.64 H209.7 Cl5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020949","9.8742","0.0002","14.3502","0.0004","14.4637","0.0004","111.956","0.001","102.84","0.001","103.67","0.001","1733.81","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","10(5)eta_toluene","","","- C34 H38 Se6 -","- C34 H38 Se6 -","- C68 H76 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020950","9.9951","0.0003","14.4483","0.0004","14.512","0.0004","113.286","0.001","103.989","0.001","102.957","0.001","1743.54","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10(5)theta_nitrobenzene","","","- C33 H35 N O2 Se6 -","- C33 H35 N O2 Se6 -","- C66 H70 N2 O4 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020951","9.8727","0.0002","14.3876","0.0003","14.4893","0.0001","111.848","0.001","102.42","0.001","103.766","0.001","1747.02","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","10(5)iota_anisol","","","- C34 H38 O Se6 -","- C34 H38 O Se6 -","- C68 H76 O2 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020952","9.7177","0.0005","14.7028","0.0008","14.9561","0.0008","114.526","0.002","103.21","0.001","101.399","0.001","1786.45","0.16","200","2","200","2","","","","","","","","3","P -1","-P 1","2","10(5)kappa_p-xylene","","","- C35 H40 Se6 -","- C35 H40 Se6 -","- C70 H80 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020953","10.0311","0.0001","14.3847","0.0001","14.4305","0.0002","111.406","0.001","105.546","0.001","98.728","0.001","1793.93","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10(5)lambda_brom-anisol","","","- C34 H37 Br O Se6 -","- C34 H37 Br O Se6 -","- C68 H74 Br2 O2 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020954","9.65","0.0002","14.809","0.0003","14.9244","0.0001","111.734","0.001","101.556","0.002","100.583","0.001","1861.49","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","10(5)mu_mesitylene","","","- C36 H42 Se6 -","- C36 H42 Se6 -","- C72 H84 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020955","8.1676","0.0004","10.8642","0.0005","15.1032","0.0008","90","","98.682","0.002","90","","1324.82","0.11","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C60 H100 O6 -","2","1","","Bang Yeon Hwang; Bao-Ning Su; Heebyung Chai; Qiuwen Mi; Leonardus B. S. Kardono; Johar J. Afriastini; Soedarsono Riswan; Bernard D. Santarsiero; Andrew D. Mesecar; Robert Wild; Craig R. Fairchild; Gregory D. Vite; William C. Rose; Norman R. Farnsworth; Geoffrey A. Cordell; John M. Pezzuto; Steven M. Swanson; A. Douglas Kinghorn","Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris","Journal of Organic Chemistry","2004","69","","3350","3358","10.1021/jo040120f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020956","17.7406","0.0005","14.9259","0.0005","17.8418","0.0007","90","","111.377","0.001","90","","4399.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H44 Br2 O15 -","- C48 H44 Br2 O15 -","- C192 H176 Br8 O60 -","4","2","","Bang Yeon Hwang; Bao-Ning Su; Heebyung Chai; Qiuwen Mi; Leonardus B. S. Kardono; Johar J. Afriastini; Soedarsono Riswan; Bernard D. Santarsiero; Andrew D. Mesecar; Robert Wild; Craig R. Fairchild; Gregory D. Vite; William C. Rose; Norman R. Farnsworth; Geoffrey A. Cordell; John M. Pezzuto; Steven M. Swanson; A. Douglas Kinghorn","Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris","Journal of Organic Chemistry","2004","69","","3350","3358","10.1021/jo040120f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020957","28.704","0.002","12.6928","0.001","14.2236","0.001","90","","90","","90","","5182.1","0.7","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C50 H66 O7 S4 -","- C50 H66 O7 S4 -","- C200 H264 O28 S16 -","4","0.5","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020958","15.327","0.002","15.272","0.002","27.561","0.004","90","","96.322","0.012","90","","6412.1","1.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H74 O7 S4 -","- C62 H74 O7 S4 -","- C248 H296 O28 S16 -","4","1","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020959","40.26","0.005","14.164","0.003","29.4749","0.001","90","","93.712","0.012","90","","16773","4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H74 O11 S4 -","- C56 H74 O11 S4 -","- C448 H592 O88 S32 -","8","2","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020960","15.2781","0.001","12.2052","0.0015","28.622","0.002","90","","103.12","0.02","90","","5197.9","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H70 O8 S4 -","- C52 H70 O8 S4 -","- C208 H280 O32 S16 -","4","1","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020961","13.986","0.002","14.416","0.002","33.061","0.006","92.229","0.016","91.131","0.014","99.872","0.01","6559.8","1.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H74 O7 S4 -","- C62 H74 O7 S4 -","- C248 H296 O28 S16 -","4","2","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020962","13.7693","0.001","18.219","0.002","20.773","0.002","77.239","0.015","88.394","0.012","86.938","0.012","5074.5","0.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 O8 S4 -","- C50 H66 O8 S4 -","- C200 H264 O32 S16 -","4","2","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020963","7.65","0.003","8.493","0.003","14.207","0.005","90","","90","","90","","923.1","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","","Gavin O'Mahony; Mark Nieuwenhuyzen; Paul Armstrong; Paul J. Stevenson","Rapid Stereoselective Access to Key Pumiliotoxin Precursors from a Common Intermediate","Journal of Organic Chemistry","2004","69","","3968","3971","10.1021/jo0497205","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020964","6.474","0.0015","13.389","0.003","19.734","0.005","90","","90","","90","","1710.6","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","2","","Gavin O'Mahony; Mark Nieuwenhuyzen; Paul Armstrong; Paul J. Stevenson","Rapid Stereoselective Access to Key Pumiliotoxin Precursors from a Common Intermediate","Journal of Organic Chemistry","2004","69","","3968","3971","10.1021/jo0497205","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020965","18.886","0.002","9.2676","0.0016","27.997","0.003","90","","92.905","0.007","90","","4893.9","1.2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O4 S Se -","- C25 H24 N2 O4 S Se -","- C200 H192 N16 O32 S8 Se8 -","8","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020966","9.1528","0.0008","9.9689","0.001","20.8724","0.0018","90","","90","","90","","1904.5","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020967","9.248","0.002","20.491","0.003","21.708","0.004","90","","90","","90","","4113.7","1.4","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C168 H176 N16 O32 S8 -","8","2","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020968","8.509","0.0007","11.593","0.0008","20.2321","0.0013","90","","90","","90","","1995.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020969","7.2339","0.0007","9.2254","0.001","35.142","0.003","90","","90","","90","","2345.2","0.4","296","1","296","1","","","","","","","","6","P 2 21 21","P 2bc 2","18","","","","- C25 H24 N2 O4 S Se -","- C25 H24 N2 O4 S Se -","- C100 H96 N8 O16 S4 Se4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020970","7.2087","0.0008","9.4196","0.0007","16.7486","0.0013","90","","97.238","0.007","90","","1128.22","0.17","299","2","299","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O4 S Se -","- C24 H22 N2 O4 S Se -","- C48 H44 N4 O8 S2 Se2 -","2","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020971","13.829","0.004","19.788","0.008","9.501","0.003","90","","101.06","0.02","90","","2551.8","0.2","198.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O S2 -","- C14 H14 O S2 -","- C112 H112 O8 S16 -","8","2","","Yuichi Sawada; Akira Oku","Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group","Journal of Organic Chemistry","2004","69","","2899","2901","10.1021/jo0498009","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020972","20.78","0.01","11.496","0.004","8.242","0.002","89","","89","","90","","1968","1","198.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O S -","- C12 H10 O S -","- C96 H80 O8 S8 -","8","1","","Yuichi Sawada; Akira Oku","Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group","Journal of Organic Chemistry","2004","69","","2899","2901","10.1021/jo0498009","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020973","7.667","0.001","11.555","0.002","22.671","0.004","90","","90","","90","","2008.5","0.6","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O10 -","- C18 H25 N O10 -","- C72 H100 N4 O40 -","4","1","","Andrew S. Davis; Stephen G. Pyne; Brian W. Skelton; Allan H. White","Synthesis of Putative Uniflorine A","Journal of Organic Chemistry","2004","69","","3139","3143","10.1021/jo049806y","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020974","5.522","0.007","10.7","0.009","21.818","0.003","90","","90","","90","","1289","2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","1","","Daniele Casarini; Lodovico Lunazzi; Andrea Mazzanti; Pierluigi Mercandelli; Angelo Sironi","Conformational Studies by Dynamic NMR. 99.^1^ Experimental and Computed Determination of Rotation Barriers in the Crystalline State: The Case of Naphthylphenylsulfoxide","Journal of Organic Chemistry","2004","69","","3574","3577","10.1021/jo049843p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020975","9.6474","0.0006","9.557","0.0005","15.8983","0.0009","90","","90","","90","","1465.83","0.15","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C68 H96 O8 -","4","1","","Alexey Rivkin; Felix González-López de Turiso; Tadamichi Nagashima; Dennis P. Curran","Radical and Palladium-Catalyzed Cyclizations to Cyclobutenes: An Entry to the BCD Ring System of Penitrem D","Journal of Organic Chemistry","2004","69","","3719","3725","10.1021/jo049873s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020976","15.6601","0.0005","8.8459","0.0004","12.8348","0.0006","90","","102.059","0.002","90","","1738.74","0.13","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Mark Lautens; John Mancuso","Addition of Bifunctional Organoboron Reagents to Strained Alkenes. Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media","Journal of Organic Chemistry","2004","69","","3478","3487","10.1021/jo049874k","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020977","31.4218","0.0007","10.0111","0.0003","17.0551","0.0006","90","","99.252","0.001","90","","5295.2","0.3","293","1","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O5 Si -","- C26 H38 O5 Si -","- C208 H304 O40 Si8 -","8","1","","Mark Lautens; John Mancuso","Addition of Bifunctional Organoboron Reagents to Strained Alkenes. Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media","Journal of Organic Chemistry","2004","69","","3478","3487","10.1021/jo049874k","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020978","25.133","0.002","5.5289","0.0004","11.6527","0.0009","90","","109.012","0.001","90","","1530.9","0.2","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020979","24.2267","0.0016","6.0297","0.0004","11.6827","0.0008","90","","99.523","0.001","90","","1683.1","0.2","158","","158","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020980","13.6734","0.0006","5.967","0.0003","11.9961","0.0005","90","","109.494","0.001","90","","922.65","0.07","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020981","22.834","0.007","6.234","0.002","11.698","0.004","90","","97.043","0.006","90","","1652.4","0.9","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 Si -","- C15 H27 N O3 Si -","- C60 H108 N4 O12 Si4 -","4","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020982","8.425","0.005","13.235","0.005","23.159","0.005","90","","90","","90","","2582.3","1.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,11,20,29-tetraoxa[3.3.3.3]paracyclophane","","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","0.5","","Paolo Sarri; Francesca Venturi; Francesco Cuda; Stefano Roelens","Binding of Acetylcholine and Tetramethylammonium to Flexible Cyclophane Receptors: Improving on Binding Ability by Optimizing Host's Geometry","Journal of Organic Chemistry","2004","69","","3654","3661","10.1021/jo049899j","","","","","","","","","","","","","","","","","","","","","has coordinates","171653","2020-10-21","18:00:00",""
"4020983","20.844","0.008","10.469","0.004","18.159","0.007","90","","107.079","0.008","90","","3788","3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 -","- C24 H19 N3 -","- C192 H152 N24 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020984","14.8941","0.0011","18.3144","0.0013","14.916","0.0011","90","","97.587","0.002","90","","4033.1","0.5","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020985","47.622","0.003","10.0831","0.0006","18.4233","0.0011","90","","102.251","0.001","90","","8644.9","0.9","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 -","- C26.0005 H24 N4 -","- C416.008 H384 N64 -","16","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020986","9.1659","0.001","9.7632","0.0011","29.021","0.003","90","","93.676","0.002","90","","2591.7","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 -","- C16 H13 N3 -","- C128 H104 N24 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020987","12.169","0.003","11.465","0.003","10.149","0.003","90","","95.42","0.005","90","","1409.7","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020988","15.9797","0.001","9.7445","0.0006","19.003","0.0012","90","","100.231","0.001","90","","2912","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020989","22.5713","0.0015","9.4419","0.0006","21.712","0.0014","90","","110.305","0.001","90","","4339.6","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cl2 N3 Zn -","- C24 H19 Cl2 N3 Zn -","- C192 H152 Cl16 N24 Zn8 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020990","9.1979","0.001","8.4141","0.0009","14.9124","0.0016","90","","91.129","0.002","90","","1153.9","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H18 Cl2 N4 Zn -","- C25 H18 Cl2 N4 Zn -","- C50 H36 Cl4 N8 Zn2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020991","8.8864","0.0008","8.7082","0.0008","15.6555","0.0014","90","","91.339","0.002","90","","1211.16","0.19","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl2 N4 Zn -","- C26 H24 Cl2 N4 Zn -","- C52 H48 Cl4 N8 Zn2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020992","8.4276","0.0007","9.5814","0.0008","20.2177","0.0016","90","","90.122","0.002","90","","1632.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl2 N3 Zn -","- C16 H13 Cl2 N3 Zn -","- C64 H52 Cl8 N12 Zn4 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020993","13.6939","0.0008","12.8453","0.0007","20.2516","0.0012","90","","90","","90","","3562.3","0.4","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H12 Cl2 N4 Zn -","- C17 H12 Cl2 N4 Zn -","- C136 H96 Cl16 N32 Zn8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020994","21.3511","0.0012","12.8237","0.0007","14.7555","0.0008","90","","119.184","0.001","90","","3527.2","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl2 N3 O Zn -","- C17 H15 Cl2 N3 O Zn -","- C136 H120 Cl16 N24 O8 Zn8 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020995","13.661","0.0017","12.4381","0.0016","20.72","0.003","90","","90","","90","","3520.7","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H12 Cl2 N4 O2 Zn -","- C16 H12 Cl2 N4 O2 Zn -","- C128 H96 Cl16 N32 O16 Zn8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020996","11.4912","0.0005","16.0724","0.0007","30.9077","0.0014","90","","90","","90","","5708.4","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C296 H240 N32 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020997","5.681","0.005","8.355","0.003","28.935","0.013","90","","90","","90","","1373","1","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N O3 -","- C15 H18 N O3 -","- C60 H72 N4 O12 -","4","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020998","5.3","0.001","8.545","0.003","15.757","0.006","90","","91.09","","90","","713.5","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020999","5.866","0.002","8.248","0.002","15.308","0.004","90","","98.84","","90","","731.9","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O3 -","- C16 H20 N O3 -","- C32 H40 N2 O6 -","2","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021000","10.124","0.002","10.34","0.002","23.975","0.005","98.93","0.03","96.53","0.03","105.99","0.03","2350.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72.5 H32 O11 S -","- C72.5 H32 O11 S -","- C145 H64 O22 S2 -","2","1","","Shaohua Huang; Zuo Xiao; Fudong Wang; Liangbing Gan; Xiang Zhang; Xiangqing Hu; Shiwei Zhang; Mujian Lu; Qinqi Pan; Li Xu","Selective Preparation of Oxygen-Rich [60]Fullerene Derivatives by Stepwise Addition of tert-Butylperoxy Radical and Further Functionalization of the Fullerene Mixed Peroxides","Journal of Organic Chemistry","2004","69","","2442","2453","10.1021/jo049974q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021001","9.438","0.002","12.063","0.0014","10.701","0.0009","90","","103.508","0.013","90","","1184.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 N O P -","- C27 H30 N O P -","- C54 H60 N2 O2 P2 -","2","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.0387","","","0.097","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021002","10.856","0.002","11.45","0.002","12.027","0.002","105.86","0.02","92.166","0.015","113.13","0.02","1304.6","0.4","293","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N O P -","- C32 H32 N O P -","- C64 H64 N2 O2 P2 -","2","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.0509","","","0.1054","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021003","8.105","0.004","8.729","0.002","37.158","0.012","90","","90","","90","","2628.9","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O4 P2 -","- C30 H32 O4 P2 -","- C120 H128 O16 P8 -","4","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.042","","","0.1061","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021004","6.5307","0.0007","14.195","0.002","22.832","0.003","90","","90","","90","","2116.7","0.4","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Mikkel Fog Jakobsen; Liviu Ionita; Troels Skrydstrup","Highly Diastereoselective Mannich-Type Reactions of Chiral N-Acylhydrazones","Journal of Organic Chemistry","2004","69","","4792","4796","10.1021/jo0358170","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021005","13.3309","0.0001","9.4105","0.0001","18.7703","0.0004","90","","104.229","0.004","90","","2282.51","0.07","213.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021006","12.644","0.001","12.974","0.001","14.0462","0.0009","90","","99.205","0.001","90","","2274.4","0.3","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021007","8.7324","0.0002","12.0297","0.0001","19.8786","0.0007","90","","97.193","0.004","90","","2071.77","0.1","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021008","13.085","0.002","8.907","0.002","18.254","0.003","90","","95.486","0.005","90","","2117.9","0.6","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021009","30.28","0.01","9.475","0.007","11.233","0.006","90","","93.86","0.04","90","","3215","3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","?","- C40 H28 O3 -","- C160 H112 O12 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","0.083","","","0.095","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021010","10.267","0.003","7.706","0.002","32.75","0.02","90","","90.48","0.04","90","","2590","1","288.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021011","10.81","0.002","12.26","0.01","8.886","0.004","102.52","0.05","102.51","0.03","88.01","0.04","1122","1","298","","","","","","","","","","","3","P -1","-P 1","2","","","","?","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","0.048","","","0.052","","","","","","","","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4021012","15.2418","0.0008","8.2652","0.0004","17.7642","0.0009","90","","94.232","0.001","90","","2231.8","0.2","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021013","10.2179","0.0002","11.0564","0.0007","10.151","0.001","90.212","0.008","99.919","0.004","83.632","0.002","1122.5","0.1","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021014","37.811","0.003","37.811","0.003","8.1627","0.0007","90","","90","","120","","10106.4","1.3","293.1","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C486 H504 O36 -","18","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021015","25.574","0.003","8.6902","0.0007","22.156","0.002","90","","118.871","0.003","90","","4312","0.7","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C216 H224 O16 -","8","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021016","9.719","0.001","12.4697","0.0006","9.062","0.001","97.55","0.01","106.09","0.01","86.019","0.004","1045.5","0.2","223.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C54 H56 O4 -","2","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021017","16.0412","0.0003","16.462","0.0006","19.5672","0.0007","92.048","0.002","96.881","0.002","112.039","0.002","4736.6","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H128 N11 O13 -","- C95 H119 N11 O13 -","- C190 H238 N22 O26 -","2","1","","Ulrich Darbost; Michel Giorgi; Olivia Reinaud; Ivan Jabin","A novel C~3v~-Symmetrical Calix[6](aza)cryptand with a Remarkably High and Selective Affinity for Small Ammoniums","Journal of Organic Chemistry","2004","69","","4879","4884","10.1021/jo035859o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021018","9.5265","0.0002","11.831","0.003","13.775","0.003","80.63","0.02","73.94","0.02","80.7","0.02","1460.9","0.5","","","210","","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H37 N6.5 O4.5 -","- C28.89 H27 N6.5 O4.5 -","- C57.78 H54 N13 O9 -","2","1","","Sigitas Stončius; Eugenius Butkus; Albinas Žilinskas; Krister Larsson; Lars Öhrströrn; Ulf Berg; Kenneth Wärnmark","Design and Synthesis of a C~2~Symmetric Self-Complementary Hydrogen-Bonding Cleft Molecule Based on the Bicyclo[3.3.1]nonane and 4-Oxo-5-azaindole Framework. Formation of Channels and Inclusion Complexes in the Solid State","Journal of Organic Chemistry","2004","69","","5196","5203","10.1021/jo035869p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021019","12.507","0.003","16.748","0.003","13.978","0.003","90","","108.99","0.03","90","","2768.7","1","","","210","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H56 N8 O12 -","- C50 H56 N8 O12 -","- C100 H112 N16 O24 -","2","1","","Sigitas Stončius; Eugenius Butkus; Albinas Žilinskas; Krister Larsson; Lars Öhrströrn; Ulf Berg; Kenneth Wärnmark","Design and Synthesis of a C~2~Symmetric Self-Complementary Hydrogen-Bonding Cleft Molecule Based on the Bicyclo[3.3.1]nonane and 4-Oxo-5-azaindole Framework. Formation of Channels and Inclusion Complexes in the Solid State","Journal of Organic Chemistry","2004","69","","5196","5203","10.1021/jo035869p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021020","7.5579","0.0014","9.8711","0.0012","21.1313","0.0017","90","","90","","90","","1576.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021021","8.59","0.006","9.8059","0.0016","11.04","0.02","90","","107.36","0.09","90","","887.4","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C32 H50 N2 O12 -","2","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021022","9.964","0.004","9.92","0.005","11.17","0.003","90","","108.98","0.03","90","","1044","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021023","15.729","0.002","9.8732","0.0014","19.745","0.003","90","","101.117","0.002","90","","3008.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H78 N2 O6 P2 -","- C60 H72 O6 P2 -","- C120 H144 O12 P4 -","2","1","","Christopher J. Cobley; Kelli Gardner; Jerzy Klosin; Céline Praquin; Catherine Hill; Gregory T. Whiteker; Antonio Zanotti-Gerosa; Jeffrey L. Petersen; Khalil A. Abboud","Synthesis and Application of a New Bisphosphite Ligand Collection for Asymmetric Hydroformylation of Allyl Cyanide","Journal of Organic Chemistry","2004","69","","4031","4040","10.1021/jo040128p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021024","18.267","0.0013","22.2381","0.0016","65.457","0.005","90","","90","","90","","26590","3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C68.75 H84 N O8 P2 Rh -","- C65 H79 O8 P2 Rh -","- C1040 H1264 O128 P32 Rh16 -","16","2","","Christopher J. Cobley; Kelli Gardner; Jerzy Klosin; Céline Praquin; Catherine Hill; Gregory T. Whiteker; Antonio Zanotti-Gerosa; Jeffrey L. Petersen; Khalil A. Abboud","Synthesis and Application of a New Bisphosphite Ligand Collection for Asymmetric Hydroformylation of Allyl Cyanide","Journal of Organic Chemistry","2004","69","","4031","4040","10.1021/jo040128p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021027","8.9497","0.0006","15.3708","0.0011","10.6571","0.0008","90","","90.122","0.001","90","","1466.03","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 N2 O4 Pd -","- C28 H52 N2 O4 Pd -","- C56 H104 N4 O8 Pd2 -","2","0.5","","Bin Tao; David W. Boykin","Simple Amine/Pd(OAc)~2~-Catalyzed Suzuki Coupling Reactions of Aryl Bromides under Mild Aerobic Conditions","Journal of Organic Chemistry","2004","69","","4330","4335","10.1021/jo040147z","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021028","16.9313","0.0018","7.0518","0.0007","12.8453","0.0014","90","","96.494","0.002","90","","1523.8","0.3","93","1","93","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Br F N2 O3 -","- C15 H20 Br F N2 O3 -","- C60 H80 Br4 F4 N8 O12 -","4","1","","Akihiro Hashimoto; Anna K. Przybyl; Joannes T. M. Linders; Shinichi Kodato; Xinrong Tian; Jeffrey R. Deschamps; Clifford George; Judith L. Flippen-Anderson; Arthur E. Jacobson; Kenner C. Rice","Probes for Narcotic Receptor-Mediated Phenomena. 33. Construction of a Strained trans-5,6-Ring System by Displacement of a Nitro-Activated Aromatic Fluorine. Synthesis of the Penultimate Oxide-Bridged Phenylmorphans","Journal of Organic Chemistry","2004","69","","5322","5327","10.1021/jo040159k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021029","6.3039","0.0005","24.092","0.002","9.7132","0.0008","90","","107.731","0.001","90","","1405.1","0.2","93","1","93","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","1","","Akihiro Hashimoto; Anna K. Przybyl; Joannes T. M. Linders; Shinichi Kodato; Xinrong Tian; Jeffrey R. Deschamps; Clifford George; Judith L. Flippen-Anderson; Arthur E. Jacobson; Kenner C. Rice","Probes for Narcotic Receptor-Mediated Phenomena. 33. Construction of a Strained trans-5,6-Ring System by Displacement of a Nitro-Activated Aromatic Fluorine. Synthesis of the Penultimate Oxide-Bridged Phenylmorphans","Journal of Organic Chemistry","2004","69","","5322","5327","10.1021/jo040159k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021030","15.8054","0.0002","7.1618","0.0001","12.9254","0.0001","90","","91.108","0.001","90","","1462.82","0.03","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Br F N O -","- C15 H21 Br F N O -","- C60 H84 Br4 F4 N4 O4 -","4","1","","Akihiro Hashimoto; Anna K. Przybyl; Joannes T. M. Linders; Shinichi Kodato; Xinrong Tian; Jeffrey R. Deschamps; Clifford George; Judith L. Flippen-Anderson; Arthur E. Jacobson; Kenner C. Rice","Probes for Narcotic Receptor-Mediated Phenomena. 33. Construction of a Strained trans-5,6-Ring System by Displacement of a Nitro-Activated Aromatic Fluorine. Synthesis of the Penultimate Oxide-Bridged Phenylmorphans","Journal of Organic Chemistry","2004","69","","5322","5327","10.1021/jo040159k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021031","9.7507","0.0012","16.638","0.002","14.9555","0.0019","90","","108.939","0.003","90","","2294.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 O Pd -","- C31 H26 N2 O Pd -","- C124 H104 N8 O4 Pd4 -","4","1","","Dachun Liu; Gregory M. Ferrence; Timothy D. Lash","Oxybenziporphyrins, Oxypyriporphyrins, Benzocarbaporphyrins, and Their 23-Oxa and 23-Thia Analogues: Synthesis, Spectroscopic Characterization, Metalation, and Structural Characterization of a Palladium(II) Organometallic Derivative","Journal of Organic Chemistry","2004","69","","6079","6093","10.1021/jo040180l","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021032","10.108","0.005","14.08","0.006","13.864","0.004","90","","92.89","0.04","90","","1970.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 B2 N O7 -","- C22 H17 B2 N O7 -","- C88 H68 B8 N4 O28 -","4","1","","Peter D. Livant; D. John D. Northcott; Yiping Shen; Thomas R. Webb","Bonding along a Linear B···N···B Triad","Journal of Organic Chemistry","2004","69","","6564","6571","10.1021/jo040199o","","","","","","","0.0507","","","0.1164","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021033","14.092","0.005","8.59","0.002","21.856","0.006","90","","94.64","0.02","90","","2636.8","1.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N O10 -","- C26 H31 N O10 -","- C104 H124 N4 O40 -","4","0.5","","Peter D. Livant; D. John D. Northcott; Yiping Shen; Thomas R. Webb","Bonding along a Linear B···N···B Triad","Journal of Organic Chemistry","2004","69","","6564","6571","10.1021/jo040199o","","","","","","","0.0658","","","0.1486","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021034","10.6317","0.0019","11.6413","0.0019","12.227","0.002","102.617","0.004","111.877","0.003","102.583","0.005","1293.5","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","2","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021035","13.3508","0.0013","12.9742","0.0014","16.9839","0.0018","90","","106.803","0.002","90","","2816.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 I O5 Si -","- C26 H43 I O5 Si -","- C104 H172 I4 O20 Si4 -","4","1","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021036","7.906","0.003","11.769","0.003","16.622","0.005","90","","91.808","0.006","90","","1545.8","0.8","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021037","14.0476","0.0007","14.0476","0.0007","81.947","0.006","90","","90","","120","","14004.6","1.4","295","2","295","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C576 H936 O108 -","36","1","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021038","6.28","0.001","10.367","0.002","24.434","0.005","90","","90","","90","","1590.8","0.5","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 Se -","- C16 H22 O3 Se -","- C64 H88 O12 Se4 -","4","1","","Dan Yang; Qiang Gao; Bao-Fu Zheng; Nian-Yong Zhu","Et~2~AlCl-Promoted Asymmetric Phenylseleno Group Transfer Radical Cyclization Reactions of Unsaturated β-Hydroxy Esters","Journal of Organic Chemistry","2004","69","","8821","8828","10.1021/jo048322z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021039","6.235","0.001","20.458","0.004","14.051","0.003","90","","91.57","0.03","90","","1791.6","0.6","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 O3 Se -","- C19 H25 O3 Se -","- C76 H100 O12 Se4 -","4","1","","Dan Yang; Qiang Gao; Bao-Fu Zheng; Nian-Yong Zhu","Et~2~AlCl-Promoted Asymmetric Phenylseleno Group Transfer Radical Cyclization Reactions of Unsaturated β-Hydroxy Esters","Journal of Organic Chemistry","2004","69","","8821","8828","10.1021/jo048322z","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021040","6.6752","0.0009","10.3589","0.001","8.709","0.0011","90","","91.698","0.016","90","","601.94","0.13","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C24 H28 O14 -","2","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021041","6.1515","0.0005","13.5741","0.0012","19.044","0.002","90","","90","","90","","1590.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021042","4.8763","0.0004","12.906","0.0015","27.491","0.002","90","","90","","90","","1730.1","0.3","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O7 -","- C17 H24 O7 -","- C68 H96 O28 -","4","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021043","7.463","0.0005","7.4633","0.0005","23.1431","0.0015","91.299","0.002","94.067","0.003","90.194","0.003","1285.45","0.15","90","1","90","1","","","","","","","","5","P 1","P 1","1","C26H23O6BrN4","","","- C26 H23 Br N4 O6 -","- C26 H23 Br N4 O6 -","- C52 H46 Br2 N8 O12 -","2","2","","Huw M. L. Davies; Rohan E. J. Beckwith","Catalytic Asymmetric Reactions for Organic Synthesis: The Combined C-H Activation/Siloxy-Cope Rearrangement","Journal of Organic Chemistry","2004","69","","9241","9247","10.1021/jo048429m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021044","10.9443","0.0002","12.8927","0.0002","31.0269","0.0005","90","","90","","90","","4377.9","","150","","150","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C160 H256 O80 -","16","2","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021045","7.2339","0.0001","7.5773","0.0002","17.8539","0.0004","90","","90","","90","","978.6","","150","","150","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021046","12.7237","0.0003","8.2796","0.0002","10.8451","0.0002","90","","99.5173","0.0011","90","","1126.8","","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1'R*,5'R*,7'R*)-dispiro(1,3-dioxolane-2,2'-(1',5'-dimethyl- 8'-oxa-bicyclo(3.2.1)octane)-7',2''-oxirane)","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021047","6.4436","0.0002","16.4333","0.0005","8.0112","0.0002","90","","112.166","0.0019","90","","785.6","","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021048","5.9658","0.0002","12.6612","0.0003","13.5514","0.0004","90","","101.299","0.0013","90","","1003.8","","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021049","13.964","0.003","14.014","0.003","21.067","0.004","90","","90","","90","","4122.6","1.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H64 N6 O11 -","- C36 H64 N6 O11 -","- C144 H256 N24 O44 -","4","1","","Danielle Skropeta; Katrina A. Jolliffe; Peter Turner","Pseudoprolines as Removable Turn Inducers: Tools for the Cyclization of Small Peptides","Journal of Organic Chemistry","2004","69","","8804","8809","10.1021/jo0484732","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021050","16.9116","0.0003","5.5619","0.0001","36.4494","0.0008","90","","90","","90","","3428.45","0.11","223","2","223","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","2","","Jingkui Yang; David F. Cauble; Adam J. Berro; Nathan L. Bauld; Michael J. Krische","Anion Radical [2 + 2] Cycloaddition as a Mechanistic Probe: Stoichiometry- and Concentration-Dependent Partitioning of Electron-Transfer and Alkylation Pathways in the Reaction of the Gilman Reagent Me~2~CuLi·LiI with Bis(enones)","Journal of Organic Chemistry","2004","69","","7979","7984","10.1021/jo048499t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021051","16.04","0.002","3.969","0.0003","19.179","0.001","90","","107.158","0.004","90","","1166.6","0.2","90","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 O2 Se2 -","- C14 H8 O2 Se2 -","- C56 H32 O8 Se8 -","4","1","","Takahiro Kojima; Kohtaro Tanaka; Takayuki Ishida; Takashi Nogami","Synthesis and Characterization of Dibenzodioxadiselenafulvalene","Journal of Organic Chemistry","2004","69","","9319","9322","10.1021/jo048501g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021052","8.9159","0.0007","4.331","0.0003","15.3642","0.0009","90","","93.535","0.002","90","","592.15","0.08","90","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O2 Se2 -","- C14 H8 O2 Se2 -","- C28 H16 O4 Se4 -","2","0.5","","Takahiro Kojima; Kohtaro Tanaka; Takayuki Ishida; Takashi Nogami","Synthesis and Characterization of Dibenzodioxadiselenafulvalene","Journal of Organic Chemistry","2004","69","","9319","9322","10.1021/jo048501g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021053","10.6924","0.0002","33.0953","0.0007","14.2824","0.0003","90","","90","","90","","5054.1","0.2","200","2","200","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C58 H71 N6 O1.5 -","- C52 H56 N6 -","- C208 H224 N24 -","4","0.5","","Angela L. Sauers; Douglas M. Ho; Stefan Bernhard","Synthesis and Characterization of Highly Conjugated, Chiral Bridging Ligands","Journal of Organic Chemistry","2004","69","","8910","8915","10.1021/jo048515m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021054","7.6254","0.0001","11.3678","0.0003","13.1788","0.0004","102.452","0.001","96.396","0.001","105.312","0.001","1058.59","0.04","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C52 H56 N6 -","- C52 H56 N6 -","- C52 H56 N6 -","1","1","","Angela L. Sauers; Douglas M. Ho; Stefan Bernhard","Synthesis and Characterization of Highly Conjugated, Chiral Bridging Ligands","Journal of Organic Chemistry","2004","69","","8910","8915","10.1021/jo048515m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021055","8.089","0.001","9.417","0.002","13.253","0.003","77.425","0.007","78.096","0.007","84.355","0.01","962.6","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N O2 Si -","- C18 H33 N O2 Si -","- C36 H66 N2 O4 Si2 -","2","1","","Ramaiah Kumareswaran; Judith Gallucci; T. V. RajanBabu","Tuning the Acceptors in Catalyzed Cyclizations Initiated by Allenes. Silylstannylation/Cyclization of Allene-Aldehydes for Synthesis of Polyalkylated Indolizidines Including 223A Congeners","Journal of Organic Chemistry","2004","69","","9151","9158","10.1021/jo048580w","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021056","11.207","0.001","12.006","0.002","10.625","0.001","90","","91.122","0.007","90","","1429.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Ramaiah Kumareswaran; Judith Gallucci; T. V. RajanBabu","Tuning the Acceptors in Catalyzed Cyclizations Initiated by Allenes. Silylstannylation/Cyclization of Allene-Aldehydes for Synthesis of Polyalkylated Indolizidines Including 223A Congeners","Journal of Organic Chemistry","2004","69","","9151","9158","10.1021/jo048580w","","","","","","","0.0309","","","0.0762","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021057","8.297","0.001","17.028","0.002","10.672","0.001","90","","108.69","0.004","90","","1428.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Ramaiah Kumareswaran; Judith Gallucci; T. V. RajanBabu","Tuning the Acceptors in Catalyzed Cyclizations Initiated by Allenes. Silylstannylation/Cyclization of Allene-Aldehydes for Synthesis of Polyalkylated Indolizidines Including 223A Congeners","Journal of Organic Chemistry","2004","69","","9151","9158","10.1021/jo048580w","","","","","","","0.0454","","","0.1126","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021058","5.5474","0.001","16.996","0.002","18.256","0.003","90","","90","","90","","1721.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Pushpal Bhaket; Christina S. Stauffer; Apurba Datta","Complex Peptidyl Nucleoside Antibiotics: Efficient Syntheses of the Glycosyl Nucleoside Amino Acid Cores","Journal of Organic Chemistry","2004","69","","8594","8601","10.1021/jo048586l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021059","14.756","0.0003","9.725","0.0004","7.231","0.0007","90","","93.467","0.003","90","","1035.76","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C52 H40 N16 O4 -","4","1","","Pavel Turek; Martin Kotora; Iva Tišlerová; Michal Hocek; Ivan Votruba; Ivana Císařová","Cocyclotrimerization of 6-Alkynylpurines with α,ω-Diynes as a Novel Approach to Biologically Active 6-Arylpurines","Journal of Organic Chemistry","2004","69","","9224","9233","10.1021/jo0486342","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021060","12.1727","0.0003","10.0484","0.0003","12.3577","0.0003","90","","96.573","0.002","90","","1501.61","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Albert Padwa; Hyoung Ik Lee; Paitoon Rashatasakhon; Mickea Rose","Electrophilic-Induced Cyclization Reaction of Hexahydroindolinone Derivatives and Its Application toward the Synthesis of ±-Erysotramidine","Journal of Organic Chemistry","2004","69","","8209","8218","10.1021/jo048647f","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021061","6.0001","0.0002","12.2626","0.0005","12.4228","0.0002","74.897","0.003","77.983","0.002","79.092","0.002","854.26","0.05","143.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 N4 -","- C17 H28 N4 -","- C34 H56 N8 -","2","1","","Kian L. Tan; Steve Park; Jonathan A. Ellman; Robert G. Bergman","Intermolecular Coupling of Alkenes to Heterocycles via C-H Bond Activation","Journal of Organic Chemistry","2004","69","","7329","7335","10.1021/jo048666p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021062","28.776","0.011","12.737","0.005","6.363","0.003","90","","101.095","0.007","90","","2288.5","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03211aaa","","","- C13 H5 F4 N2 S -","- C13 H5 F4 N2 S -","- C104 H40 F32 N16 S8 -","8","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young Jr.","Experimental and Theoretical Studies of Fused-Ring Persistent [1,2,4]Thiadiazinyl Radicals","Journal of Organic Chemistry","2004","69","","7525","7536","10.1021/jo0486746","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021063","6.795","0.002","8.362","0.003","13.368","0.004","71.791","0.004","83.326","0.004","68.631","0.004","671.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","04068b","","","- C13 H5 Cl4 N2 S -","- C13 H5 Cl4 N2 S -","- C26 H10 Cl8 N4 S2 -","2","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young Jr.","Experimental and Theoretical Studies of Fused-Ring Persistent [1,2,4]Thiadiazinyl Radicals","Journal of Organic Chemistry","2004","69","","7525","7536","10.1021/jo0486746","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021064","11.075","0.001","18.989","0.003","23.195","0.002","90","","90","","90","","4878","1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C39 H48 O12 -","- C52 H64 O16 -","- C208 H256 O64 -","4","0.5","","Denis Deffieux; Isabelle Fabre; Alexander Titz; Jean-Michel Léger; Stéphane Quideau","Electrochemical Synthesis of Dimerizing and Nondimerizing Orthoquinone Monoketals","Journal of Organic Chemistry","2004","69","","8731","8738","10.1021/jo048677i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021065","7.7688","0.0008","11.0129","0.0003","16.3245","0.0014","90","","92.127","0.005","90","","1395.71","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","1","","Till Opatz; Dorota Ferenc","An Unexpected Three-Component Condensation Leading to Amino- (3-oxo-2,3-dihydro-1H-isoindol-1-ylidene)- acetonitriles","Journal of Organic Chemistry","2004","69","","8496","8499","10.1021/jo0486802","","","","","","","","","","0.1662","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021066","13.562","0.002","14.124","0.002","6.6269","0.0006","97.823","0.01","97.2","0.01","62.873","0.01","1116.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C46 H62 N2 O6 Si2 -","2","1","","Yuji Matsuya; Kazushige Sasaki; Mamiko Nagaoka; Hiroko Kakuda; Naoki Toyooka; Nobuko Imanishi; Hiroshi Ochiai; Hideo Nemoto","Synthesis of a New Class of Furan-Fused Tetracyclic Compounds Using o-Quinodimethane Chemistry and Investigation of Their Antiviral Activity","Journal of Organic Chemistry","2004","69","","7989","7993","10.1021/jo0486995","","","","","","","0.0412","","","0.0604","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021067","8.864","0.005","14.597","0.005","10.9","0.004","90","","108.36","0.03","90","","1338.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yuji Matsuya; Kazushige Sasaki; Mamiko Nagaoka; Hiroko Kakuda; Naoki Toyooka; Nobuko Imanishi; Hiroshi Ochiai; Hideo Nemoto","Synthesis of a New Class of Furan-Fused Tetracyclic Compounds Using o-Quinodimethane Chemistry and Investigation of Their Antiviral Activity","Journal of Organic Chemistry","2004","69","","7989","7993","10.1021/jo0486995","","","","","","","0.0449","","","0.0583","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021068","14.2366","0.0008","14.2825","0.0008","16.0574","0.001","90","","107.805","0.001","90","","3108.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 O6 -","- C33 H38 O6 -","- C132 H152 O24 -","4","1","","Carolyn Selenski; Thomas R. R. Pettus","Enantioselective [4 + 2] Cycloadditions of o-Quinone Methides: Total Synthesis of (+)-Mimosifoliol and Formal Synthesis of (+)-Tolterodine","Journal of Organic Chemistry","2004","69","","9196","9203","10.1021/jo048703c","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021069","12.389","0.003","12.719","0.003","19.197","0.005","101.808","0.004","93.818","0.004","113.117","0.004","2686.7","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H32 O6 -","- C29 H32 O6 -","- C116 H128 O24 -","4","2","","Carolyn Selenski; Thomas R. R. Pettus","Enantioselective [4 + 2] Cycloadditions of o-Quinone Methides: Total Synthesis of (+)-Mimosifoliol and Formal Synthesis of (+)-Tolterodine","Journal of Organic Chemistry","2004","69","","9196","9203","10.1021/jo048703c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021070","11.4413","0.0005","11.4413","0.0005","50.149","0.005","90","","90","","120","","5685.2","0.6","163","2","163","2","","","","","","","","7","P 61","P 61","169","","","","- C44 H34 Co F6 N O3 Pd -","- C44 H34 Co F6 N O3 Pd -","- C264 H204 Co6 F36 N6 O18 Pd6 -","6","1","","Stefan F. Kirsch; Larry E. Overman; Mary P. Watson","Monomeric Cobalt Oxazoline Palladacycles (COP). Useful Catalysts for Catalytic Asymmetric Rearrangement of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2004","69","","8101","8104","10.1021/jo0487092","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021071","9.957","0.006","11.253","0.012","20.688","0.007","90","","102.23","0.05","90","","2265","3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O2 S2 -","- C25 H29 N O2 S2 -","- C100 H116 N4 O8 S8 -","4","2","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates","219295","2020-10-21","18:00:00",""
"4021072","8.931","0.002","9.599","0.001","28.08","0.009","90","","90","","90","","2407.3","1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277840","2022-09-14","18:33:58",""
"4021073","22.837","0.004","6.394","0.002","14.408","0.003","90","","95.328","0.016","90","","2094.9","0.9","294","2","294","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 N O2 S2 -","- C23 H25 N O2 S2 -","- C92 H100 N4 O8 S8 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates","219295","2020-10-21","18:00:00",""
"4021074","13.011","0.006","8.762","0.004","18.586","0.006","90","","94.84","0.04","90","","2111.3","1.5","294","2","294","2","","","","","","","synthesis as described","5","I 1 2 1","I 2y","5","","","","- C23 H25 N O2 S2 -","- C23 H25 N O2 S2 -","- C92 H100 N4 O8 S8 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","x-ray","0.71073","MoKα","","0.0374","0.0347","","","0.0891","0.0932","","","","","","1.065","","","","has coordinates","219296","2020-10-21","18:00:00",""
"4021075","24.638","0.001","11.824","0.001","11.166","0.001","90","","112.08","","90","","3014.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H38 Cl N2 O7.5 -","- C29 H37 Cl N2 O7.5 -","- C116 H148 Cl4 N8 O30 -","4","1","","Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett","Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662","Journal of Organic Chemistry","2004","69","","7875","7879","10.1021/jo048711t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021076","8.904","0.004","11.174","0.006","9.58","0.005","90","","112.09","0.02","90","","883","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 Cl N2 O5 -","- C17 H19 Cl N2 O5 -","- C34 H38 Cl2 N4 O10 -","2","1","","Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett","Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662","Journal of Organic Chemistry","2004","69","","7875","7879","10.1021/jo048711t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021077","7.1989","0.0009","19.486","0.002","10.169","0.001","90","","91.574","0.009","90","","1426","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 S2 -","- C14 H18 O2 S2 -","- C56 H72 O8 S8 -","4","1","","Blanka Wladislaw; Mauro Alves Bueno; Liliana Marzorati; Claudio Di Vitta; Júlio Zukerman-Schpector","Phase Transfer Catalysis (PTC) Sulfanylation of Some 2-Methylsulfinyl-Cyclanones","Journal of Organic Chemistry","2004","69","","9296","9298","10.1021/jo048751x","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021078","26.977","0.003","7.4394","0.0009","18.917","0.002","90","","130.916","0.002","90","","2868.8","0.6","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H17.5 N0.5 O2 Si0.5 -","- C15 H17.5 N0.5 O2 Si0.5 -","- C120 H140 N4 O16 Si4 -","8","2","","Tahar Ayad; Vanessa Faugeroux; Yves Génisson; Chantal André; Michel Baltas; Liliane Gorrichon","Stereoselective Access to the Versatile 4-Aminohex-5-ene-1,2,3-triol Pattern","Journal of Organic Chemistry","2004","69","","8775","8779","10.1021/jo048766v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021079","9.9182","0.0011","17.1284","0.0019","19.558","0.002","90","","90","","90","","3322.6","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N O4 Si -","- C37 H41 N O4 Si -","- C148 H164 N4 O16 Si4 -","4","1","","Tahar Ayad; Vanessa Faugeroux; Yves Génisson; Chantal André; Michel Baltas; Liliane Gorrichon","Stereoselective Access to the Versatile 4-Aminohex-5-ene-1,2,3-triol Pattern","Journal of Organic Chemistry","2004","69","","8775","8779","10.1021/jo048766v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021080","11.307","0.002","6.9899","0.0014","12.56","0.003","90","","104.97","0.03","90","","959","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H19 F3 N2 O -","- C23 H19 F3 N2 O -","- C46 H38 F6 N4 O2 -","2","0.5","","Xuefeng Guo; Yucheng Zhou; Deqing Zhang; Bing Yin; Zhiliang Liu; Caiming Liu; Zhengliang Lu; Yuanhe Huang; Daoben Zhu","7-Trifluoromethylquinoline-Functionalized Luminescent Photochromic Spiropyran with the Stable Merocyanine Species Both in Solution and in the Solid State","Journal of Organic Chemistry","2004","69","","8924","8931","10.1021/jo0487799","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021081","9.0346","0.0015","15.629","0.003","19.666","0.004","90","","90","","90","","2776.8","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Br2 Ni P2 -","- C29 H28 Br2 Ni P2 -","- C116 H112 Br8 Ni4 P8 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0444","","","0.0865","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021082","10.633","0.007","11.279","0.006","13.865","0.012","94.89","0.02","100.46","0.02","108.139","0.006","1536","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl4 P2 Pd -","- C30 H28 Cl4.01 P2 Pd -","- C60 H56 Cl8.02 P4 Pd2 -","2","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0532","","","0.1393","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021083","10.846","0.002","13.814","0.003","15.218","0.004","90","","92.512","0.006","90","","2277.9","0.9","143","1","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H22 Cl3 P Pd S -","- C22.5 H22 Cl3 P Pd S -","- C90 H88 Cl12 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0632","","","0.1016","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021084","17.03","0.003","11.623","0.002","15.988","0.003","90","","101.606","0.004","90","","3099.7","1","143","1","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 P Pd S -","- C31 H39 Cl2 P Pd S -","- C124 H156 Cl8 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0543","","","0.1362","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021085","18.413","0.004","7.964","0.002","34.564","0.008","90","","95.463","0.004","90","","5045.4","2","143","1","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H29 Cl2 P Pd S -","- C26 H29 Cl2 P Pd S -","- C208 H232 Cl16 P8 Pd8 S8 -","8","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0345","","","0.1006","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021086","9.5511","0.0007","17.748","0.001","14.4104","0.001","90","","101.117","0.001","90","","2396.9","0.3","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl2 P Pd S -","- C25 H27 Cl2 P Pd S -","- C100 H108 Cl8 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021087","8.7172","0.0005","15.41","0.0009","15.254","0.001","90","","93.74","0.001","90","","2044.7","0.2","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl2 P Pd S -","- C19 H23 Cl2 P Pd S -","- C76 H92 Cl8 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021088","11.2383","0.0004","26.2045","0.0009","11.5745","0.0004","90","","95.01","","90","","3395.6","0.2","143","1","143","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 F6 P Pd S Sb -","- C34 H36 F6 P Pd S Sb -","- C136 H144 F24 P4 Pd4 S4 Sb4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021089","7.8323","0.0011","9.0392","0.0011","10.8216","0.0016","105.979","0.002","108.666","0.002","100.361","0.002","666.92","0.16","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br I O2 -","- C12 H12 Br I O2 -","- C24 H24 Br2 I2 O4 -","2","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021090","5.2028","0.0005","10.2125","0.001","12.6261","0.0013","92.734","0.005","93.487","0.005","102.621","0.005","652.17","0.11","190","2","190","2","","","","","","","","4","P -1","-P 1","2","2-acetylseleno-1-cyclobutene","","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C28 H28 O4 Se2 -","2","1","","Mamoru Koketsu; Kayo Mizutani; Tomoko Ogawa; Ayako Takahashi; Hideharu Ishihara","Synthesis of 3-Acyl-1-alkyl-2-alkylseleno-1-cyclobutene Using Alkyneselenolate","Journal of Organic Chemistry","2004","69","","8938","8941","10.1021/jo048787p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021091","9.9072","0.001","10.0329","0.001","14.3386","0.0014","90","","104.828","0.005","90","","1377.8","0.2","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-phenylbicyclo[4.2.0]oct-7-en-2-one","","","- C16 H16 O2 Se -","- C16 H16 O2 Se -","- C64 H64 O8 Se4 -","4","1","","Mamoru Koketsu; Kayo Mizutani; Tomoko Ogawa; Ayako Takahashi; Hideharu Ishihara","Synthesis of 3-Acyl-1-alkyl-2-alkylseleno-1-cyclobutene Using Alkyneselenolate","Journal of Organic Chemistry","2004","69","","8938","8941","10.1021/jo048787p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021092","14.9308","0.001","22.3227","0.0016","19.4894","0.0013","90","","90.196","0.002","90","","6495.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O3 -","- C20 H27 I N2 O3 -","- C240 H324 I12 N24 O36 -","12","6","","Meihua Shen; Chaozhong Li","Asymmetric Iodolactamization Induced by Chiral Oxazolidine Auxiliary","Journal of Organic Chemistry","2004","69","","7906","7909","10.1021/jo0488006","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021093","10.0137","0.0002","13.9591","0.0002","33.0242","0.0004","90","","90","","90","","4616.2","0.13","150","","150","","","","","","","","","3","P b n a","-P 2ac 2b","60","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C216 H264 O48 -","12","1.5","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021094","11.7266","0.0002","14.6049","0.0002","28.9655","0.0004","90","","90","","90","","4960.8","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C240 H304 O32 -","8","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021095","13.5415","0.0003","11.9348","0.0003","16.5925","0.0004","90","","106.13","0.0011","90","","2576.04","0.11","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021096","12.2308","0.0004","6.6948","0.0003","15.6664","0.0006","90","","91.3727","0.0018","90","","1282.44","0.09","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021097","10.318","0.003","11.071","0.002","13.31","0.003","93.1","0.02","100.37","0.02","113.81","0.02","1354.7","0.6","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N5 O2 -","- C32 H34 N5 O2 -","- C64 H68 N10 O4 -","2","1","","Bernátková, Markéta; Andrioletti, Bruno; Král, Vladimír; Rose, Eric; Vaissermann, Jacqueline","Synthesis of Functionalmeso-Aryl Porphomonomethenes and Porphodimethenes: Application to the Preparation of a Chiral Calix[4]phyrin Dimer","Journal of Organic Chemistry","2004","69","23","8140","8143","10.1021/jo0488558","","","","","","","0.0716","","","0.0665","","","","","","","","","","","has coordinates","209047","2020-10-21","18:00:00",""
"4021098","23.22","0.006","9.111","0.002","16.23","0.004","90","","90.176","0.007","90","","3433.4","1.6","153.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C192 H160 N16 -","8","1","","Masashi Watanabe; Hiroshi Suzuki; Yasutaka Tanaka; Toshimasa Ishida; Tatsuo Oshikawa; Akiyoshi Tori-i","One-Pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration Assisted by Experimental and Theoretical Circular Dichroism","Journal of Organic Chemistry","2004","69","","7794","7801","10.1021/jo048858k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021099","7.98","0.003","12.096","0.005","17.014","0.007","90","","90.122","0.011","90","","1642.4","1.2","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Masashi Watanabe; Hiroshi Suzuki; Yasutaka Tanaka; Toshimasa Ishida; Tatsuo Oshikawa; Akiyoshi Tori-i","One-Pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration Assisted by Experimental and Theoretical Circular Dichroism","Journal of Organic Chemistry","2004","69","","7794","7801","10.1021/jo048858k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021100","5.546","0.002","9.811","0.004","26.178","0.01","90","","90","","90","","1424.2","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C56 H88 O20 -","4","1","","Douglass F. Taber; Yongchun Pan; Xia Zhao","A Flexible Enantioselective Synthesis of the Isofurans","Journal of Organic Chemistry","2004","69","","7234","7240","10.1021/jo048863o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021101","8.0217","0.0001","8.1608","0.0001","14.4538","0.0002","83.446","0.001","76.332","0.001","89.241","0.001","913.3","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","2,4-dimethoxyphenylphosphaadamantane","","","- C18 H25 O5 P -","- C18 H25 O5 P -","- C36 H50 O10 P2 -","2","1","","Tim Brenstrum; David A. Gerristma; George M. Adjabeng; Christopher S. Frampton; James Britten; Alan J. Robertson; James McNulty; Alfredo Capretta","Phosphaadamantanes as Ligands for Palladium Catalyzed Cross-Coupling Chemistry: Library Synthesis, Characterization, and Screening in the Suzuki Coupling of Alkyl Halides and Tosylates Containing β-Hydrogens with Boronic Acids and Alkylboranes","Journal of Organic Chemistry","2004","69","","7635","7639","10.1021/jo048875+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021102","10.9311","0.0008","14.0064","0.001","21.9075","0.0016","72.605","0.001","81.323","0.001","70.889","0.001","3019.13","","","","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H54 Br4 Cl2 N4 O8 -","- C72.21 H52.48 Br4 Cl0.48 N4 O8 -","- C144.42 H104.96 Br8 Cl0.96 N8 O16 -","2","1","","Frank Würthner; Vladimir Stepanenko; Zhijian Chen; Chantu R. Saha-Möller; Nikolaus Kocher; Dietmar Stalke","Preparation and Characterization of Regioisomerically Pure 1,7-Disubstituted Perylene Bisimide Dyes","Journal of Organic Chemistry","2004","69","","7933","7939","10.1021/jo048880d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021103","9.8109","0.001","10.142","0.002","17.835","0.002","79.941","0.011","79.903","0.007","89.979","0.011","1719.4","0.5","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","2","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021104","10.625","0.002","17.084","0.006","7.5931","0.0013","90","","90","","90","","1378.2","0.6","298","2","298","2","","","","","","","","2","A e a 2","A 2 -2ab","41","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4021105","8.5785","0.0008","14.193","0.003","19.42","0.003","90","","90","","90","","2364.4","0.7","298","2","298","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 -","- C32 H30 -","- C128 H120 -","4","1","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021106","13.831","0.002","8.845","0.001","13.595","0.002","90","","42.811","0.004","90","","1130.2","0.2","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021107","9.9726","0.0006","12.5133","0.0006","10.5966","0.0007","90","","110.642","0.002","90","","1237.5","0.1","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021108","13.994","0.003","8.865","0.003","13.764","0.004","90","","42.472","0.006","90","","1153","0.5","293.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F N O3 -","- C12 H14 F N O3 -","- C48 H56 F4 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021109","15.495","0.004","10.946","0.003","15.325","0.003","90","","27.877","0.005","90","","1215.3","0.5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021110","9.717","0.002","9.665","0.002","14.758","0.003","90","","105.305","0.008","90","","1336.8","0.4","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021111","9.669","0.005","10.054","0.005","11.307","0.006","94.398","0.01","97.815","0.01","110.743","0.009","1009","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Br2 N O2 -","- C21 H23 Br2 N O2 -","- C42 H46 Br4 N2 O4 -","2","1","","Chi-Lik Ken Lee; Hui Yvonne Ling; Teck-Peng Loh","Asymmetric Synthesis of C-Aliphatic Homoallylic Amines and Biologically Important Cyclohexenylamine Analogues","Journal of Organic Chemistry","2004","69","","7787","7789","10.1021/jo048903o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021112","7.062","0.001","12.245","0.002","13.548","0.002","90","","90","","90","","1171.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Leo A. Paquette; Christopher K. Seekamp; Alexandra L. Kahane; David G. Hilmey; Judith Gallucci","Stereochemical Features of Lewis Acid-Promoted Glycosidations Involving 4'-Spiroannulated DNA Building Blocks","Journal of Organic Chemistry","2004","69","","7442","7447","10.1021/jo048904g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021113","14.7183","0.0008","4.8658","0.0003","10.0319","0.0005","90","","90","","90","","718.45","0.07","295","2","295","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C40 H24 N4 -","2","0.25","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021114","9.6168","0.0005","11.2035","0.0006","38.984","0.002","90","","90","","90","","4200.3","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 Si -","- C25 H20 N2 Si -","- C200 H160 N16 Si8 -","8","1","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021115","5.9231","0.0002","31.2133","0.0013","8.74","0.0004","90","","96.274","0.001","90","","1606.17","0.11","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","1","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021116","7.3076","0.0004","8.6592","0.0005","11.541","0.001","81.154","0.005","85.562","0.005","67.839","0.005","668.14","0.08","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Joaquin Montalt; Frédéric Linker; Frédéric Ratel; Michel Miesch","Synthesis of Bicyclo[4.n.1]alkanones","Journal of Organic Chemistry","2004","69","","6715","6721","10.1021/jo048923q","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021117","10.355","0.002","10.513","0.002","21.439","0.005","90","","93.1","0.01","90","","2330.5","0.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H45 Cl4 N5 O18 -","- C39 H45 Cl4 N5 O18 -","- C78 H90 Cl8 N10 O36 -","2","1","","Robert S. Coleman; François-Xavier Felpin; Wei Chen","Mitomycin Synthetic Studies: Stereocontrolled and Convergent Synthesis of a Fully Elaborated Aziridinomitosane","Journal of Organic Chemistry","2004","69","","7309","7316","10.1021/jo048924i","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021118","11.139","0.003","19.073","0.001","7.848","0.001","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O7 S -","- C15 H16 N2 O7 S -","- C60 H64 N8 O28 S4 -","4","1","","Veejendra K. Yadav; Govindaraji Senthil; Latika Singh; Masood Parvez","On the Reaction of 1-Oxa-4-thiaspiro[4.5]decan-7-one with PhLi. A Reinvestigation","Journal of Organic Chemistry","2004","69","","8131","8132","10.1021/jo0489364","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021119","15.564","0.003","10.347","0.002","19.165","0.004","90","","95.71","0.03","90","","3071","1.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 N2 O2 Si -","- C33 H44 N2 O2 Si -","- C132 H176 N8 O8 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021120","6.1304","0.0012","21.194","0.004","17.429","0.004","90","","95.4","0.03","90","","2254.4","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N O5 Si -","- C21 H35 N O5 Si -","- C84 H140 N4 O20 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021121","11.21","0.002","13.483","0.003","16.459","0.003","90","","90","","90","","2487.6","0.9","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 N O6 Si -","- C22 H37 N O6 Si -","- C88 H148 N4 O24 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021122","12.887","0.003","16.592","0.004","11.512","0.003","90","","98.406","0.006","90","","2435.2","1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N O6 Si -","- C22 H35 N O6 Si -","- C88 H140 N4 O24 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021123","8.733","0.0017","11.707","0.002","13.866","0.003","98.03","0.03","100.88","0.03","99.88","0.03","1349.6","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O8 Si -","- C22 H34 N2 O8 Si -","- C44 H68 N4 O16 Si2 -","2","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021124","9.423","0.002","9.858","0.002","13.376","0.003","78.856","0.005","75.572","0.006","82.53","0.006","1176.3","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H37 N O4 Si -","- C22 H37 N O4 Si -","- C44 H74 N2 O8 Si2 -","2","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021125","9.23","0.005","7.452","0.003","18.389","0.009","90","","95.39","0.03","90","","1259.3","1","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C40 H60 N12 O32 -","4","2","","Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman","Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes","Journal of Organic Chemistry","2004","69","","6996","7003","10.1021/jo048975f","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021126","20.4218","0.0002","12.1169","0.0003","8.5406","0.0006","90","","90","","90","","2113.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N3 O10 -","- C18 H27 N3 O10 -","- C72 H108 N12 O40 -","4","1","","Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman","Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes","Journal of Organic Chemistry","2004","69","","6996","7003","10.1021/jo048975f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021127","8.5933","0.0013","11.568","0.0017","24.985","0.004","81.38","0.003","81.034","0.003","78.366","0.003","2384.8","0.6","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N6 O3 -","- C27 H24 N6 O3 -","- C108 H96 N24 O12 -","4","2","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021128","4.8751","0.0008","14.134","0.002","19.687","0.003","93.62","0.003","95.106","0.003","90.008","0.003","1348.4","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N6 O5 -","- C29 H30 N6 O4 -","- C58 H60 N12 O8 -","2","1","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021129","14.4095","0.0017","14.4662","0.0017","15.2004","0.0018","104.882","0.002","93.929","0.002","119.408","0.002","2595.4","0.5","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N6 O3 -","- C30 H30 N6 O3 -","- C120 H120 N24 O12 -","4","2","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021130","8.877","0.006","15.091","0.01","27.207","0.019","90","","95.819","0.013","90","","3626","4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 N6 O4 -","- C37 H54 N6 O2 -","- C148 H216 N24 O8 -","4","1","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021131","8.588","0.007","14.619","0.011","15.233","0.013","66.06","0.03","86.84","0.02","88.45","0.02","1745","2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N6 O -","- C38 H54 N6 O -","- C76 H108 N12 O2 -","2","1","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021132","9.4343","0.0004","16.7187","0.0007","19.8233","0.0009","90","","90","","90","","3126.7","0.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 S -","- C20 H22 S -","- C160 H176 S8 -","8","2","","Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn","Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards","Journal of Organic Chemistry","2004","69","","7336","7339","10.1021/jo0489869","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021133","17.9083","0.001","12.7853","0.0007","7.5734","0.0004","90","","90","","90","","1734.03","0.16","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H26 S -","- C22 H26 S -","- C88 H104 S4 -","4","0.5","","Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn","Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards","Journal of Organic Chemistry","2004","69","","7336","7339","10.1021/jo0489869","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021134","9.2092","0.0009","11.5236","0.0012","16.45","0.003","95.221","0.012","106.244","0.013","113.528","0.009","1495.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","2","","Deevi Basavaiah; Jamjanam Srivardhana Rao; Raju Jannapu Reddy","Simple, Facile, and One-Pot Conversion of the Baylis-Hillman Adducts into Functionalized 1,2,3,4-Tetrahydroacridines and Cyclopenta[b]quinolines","Journal of Organic Chemistry","2004","69","","7379","7382","10.1021/jo0489871","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021135","6.1344","0.0002","6.792","0.0003","19.8293","0.0008","90","","91.321","0.003","90","","825.97","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C32 H52 N4 O12 -","4","1","","Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel","Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates","Journal of Organic Chemistry","2004","69","","6377","6386","10.1021/jo048990k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021136","9.3469","0.0001","10.9441","0.0001","11.2608","0.0001","92.297","0.001","103.474","0.001","105.36","0.001","1073.8","0.018","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O7 S -","- C21 H22 N2 O7 S -","- C42 H44 N4 O14 S2 -","2","1","","Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel","Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates","Journal of Organic Chemistry","2004","69","","6377","6386","10.1021/jo048990k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021137","9.4627","0.0009","13.6632","0.0013","14.2294","0.0013","90","","100.514","0.002","90","","1808.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C76 H64 N8 O20 S4 -","4","1","","Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel","Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates","Journal of Organic Chemistry","2004","69","","6377","6386","10.1021/jo048990k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021138","10.0638","0.0009","11.7036","0.001","28.824","0.003","90","","90","","90","","3395","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Br2 O7 -","- C15 H15 Br2 O7 -","- C120 H120 Br16 O56 -","8","2","","Phillip M. Pelphrey; Khalil A. Abboud; Dennis L. Wright","New Chiral Building Blocks from Tetrabromocyclopropene and Furan","Journal of Organic Chemistry","2004","69","","6931","6933","10.1021/jo048991c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021139","7.127","0.001","13.154","0.002","22.324","0.005","90","","97.622","0.007","90","","2074.4","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N O Si -","- C20 H35 N O Si -","- C80 H140 N4 O4 Si4 -","4","1","","Ramaiah Kumareswaran; Seunghoon Shin; Isabelle Gallou; T. V. RajanBabu","Silylstannylation of Allenes and Silylstannylation-Cyclization of Allenynes. Synthesis of Highly Functionalized Allylstannanes and Carbocyclic and Heterocyclic Compounds","Journal of Organic Chemistry","2004","69","","7157","7170","10.1021/jo049010z","","","","","","","0.0582","","","0.1427","","","","","","","","","","","has coordinates,has disorder","178389","2020-10-21","18:00:00",""
"4021140","6.851","0.002","12.26","0.002","25.615","0.004","90","","90","","90","","2151.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl O7 S -","- C19 H23 Cl O7 S -","- C76 H92 Cl4 O28 S4 -","4","1","","M. Teresa Barros; Anthony J. Burke; Ji-Dong Lou; Christopher D. Maycock; Jorge R. Wahnon","Highly Stereoselective Aldol Reaction for the Synthesis of γ-Lactones Starting from Tartaric Acid","Journal of Organic Chemistry","2004","69","","7847","7850","10.1021/jo049027h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021141","5.139","0.001","7.391","0.001","16.684","0.003","98.61","0.03","96.12","0.03","94.06","0.03","620.55","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F3 N O7 -","- C10 H10 F3 N O7 -","- C20 H20 F6 N2 O14 -","2","1","","Matthias Pohlman; Uli Kazmaier; Thomas Lindner","Allylic Alkylation versus Michael Induced Ring Closure: Chelated Enolates as Versatile Nucleophiles","Journal of Organic Chemistry","2004","69","","6909","6912","10.1021/jo049036q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021142","15.6283","0.0005","8.0588","0.0003","13.8592","0.0006","90","","100.936","0.002","90","","1713.8","0.11","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","0.5","","Carl F. Nising; Ulrike K. Schmid; Martin Nieger; Stefan Bräse","A New Protocol for the One-Pot Synthesis of Symmetrical Biaryls","Journal of Organic Chemistry","2004","69","","6830","6833","10.1021/jo0490393","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021143","32.185","0.006","6.201","0.0012","9.169","0.0018","90","","96.37","0.03","90","","1818.6","0.6","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 N O4 P -","- C16 H22 N O4 P -","- C64 H88 N4 O16 P4 -","4","1","","William H. Hersh; Lauren Klein; Louis J. Todaro","Stereoselective Synthesis of P-Chiral Phosphorus Compounds from N-tert-Butoxycarbonyl Amino Acids","Journal of Organic Chemistry","2004","69","","7355","7358","10.1021/jo049057k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021144","5.7353","0.0001","9.2941","0.0001","34.062","0.0005","90","","90","","90","","1815.66","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O10 -","- C15 H22 O10 -","- C60 H88 O40 -","4","1","","Julien Beignet; James Tiernan; Chang H. Woo; Benson M. Kariuki; Liam R. Cox","Stereoselective Synthesis of Allyl-C-mannosyl Compounds: Use of a Temporary Silicon Connection in Intramolecular Allylation Strategies with Allylsilanes","Journal of Organic Chemistry","2004","69","","6341","6356","10.1021/jo049061w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021145","18.5623","0.0015","13.087","0.0012","24.018","0.002","90","","97.433","0.003","90","","5785.5","0.9","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30.5 H35.25 O7.125 -","- C30.5 H35.25 O7.125 -","- C244 H282 O57 -","8","2","","Julien Beignet; James Tiernan; Chang H. Woo; Benson M. Kariuki; Liam R. Cox","Stereoselective Synthesis of Allyl-C-mannosyl Compounds: Use of a Temporary Silicon Connection in Intramolecular Allylation Strategies with Allylsilanes","Journal of Organic Chemistry","2004","69","","6341","6356","10.1021/jo049061w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021146","8.0914","0.0009","13.6806","0.0015","20.184","0.002","90","","96.903","0.003","90","","2218","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C96 H96 N8 O24 -","4","1","","Jiang Zhu; Xiao-Zhong Wang; Ying-Qi Chen; Xi-Kui Jiang; Xin-Zhi Chen; Zhan-Ting Li","Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane","Journal of Organic Chemistry","2004","69","","6221","6227","10.1021/jo0490705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021147","15.7375","0.0018","12.7613","0.0014","26.079","0.003","90","","99.529","0.002","90","","5165.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Cl9 N4 O11 -","- C44 H43 Cl9 N4 O11 -","- C176 H172 Cl36 N16 O44 -","4","1","","Jiang Zhu; Xiao-Zhong Wang; Ying-Qi Chen; Xi-Kui Jiang; Xin-Zhi Chen; Zhan-Ting Li","Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane","Journal of Organic Chemistry","2004","69","","6221","6227","10.1021/jo0490705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021148","11.2372","0.0005","11.9537","0.0006","13.4405","0.0007","108.688","0.001","101.864","0.001","110.031","0.001","1502.52","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N2 O8 S2 -","- C30 H34 N2 O8 S2 -","- C60 H68 N4 O16 S4 -","2","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021149","7.8742","0.0005","10.9568","0.0007","18.8676","0.0013","90","","95.066","0.001","90","","1621.46","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021150","11.8392","0.001","13.5708","0.0012","19.6855","0.0017","90","","90","","90","","3162.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C128 H152 N8 O32 S8 -","8","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021151","22.7714","0.0019","7.0844","0.0006","12.2938","0.001","90","","105","0.002","90","","1915.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021152","11.5464","0.0007","12.6654","0.0007","13.7559","0.0008","76.689","0.001","78.49","0.001","76.086","0.001","1877.91","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H21 N2 O8 S2 -","- C42 H42 N2 O8 S2 -","- C84 H84 N4 O16 S4 -","2","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4021153","8.3786","0.0008","10.0236","0.0009","11.8815","0.0011","72.928","0.002","82.031","0.002","88.454","0.002","944.57","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021154","15.5582","0.0011","6.2066","0.0004","17.6759","0.0012","90","","103.869","0.002","90","","1657.09","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C68 H68 N4 O20 S4 -","4","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021155","10.65","0.0011","9.1599","0.001","11.4988","0.0013","90","","115.191","0.002","90","","1015.06","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 O2 Si4 -","- C14 H26 O2 Si4 -","- C28 H52 O4 Si8 -","2","0.5","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021156","9.0501","0.0009","10.546","0.0011","31.943","0.003","90","","90","","90","","3048.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O2 Si2 -","- C14 H18 O2 Si2 -","- C112 H144 O16 Si16 -","8","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021157","27.813","0.002","6.2336","0.0004","13.4923","0.0009","90","","109.808","0.001","90","","2200.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H27 N O3 Si2 -","- C19 H27 N O3 Si2 -","- C76 H108 N4 O12 Si8 -","4","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021158","6.1392","0.0007","14.1715","0.0015","18.568","0.002","90","","95.938","0.002","90","","1606.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O Si2 -","- C15 H22 O Si2 -","- C60 H88 O4 Si8 -","4","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021159","6.1627","0.001","10.0079","0.0016","14.704","0.002","70.28","0.003","79.425","0.003","83.012","0.003","837.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 O Si2 -","- C16 H24 O Si2 -","- C32 H48 O2 Si4 -","2","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021160","12.861","0.012","8.918","0.008","10.364","0.01","90","","102.577","0.017","90","","1160.1","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O2 Si4 -","- C20 H28 O2 Si4 -","- C40 H56 O4 Si8 -","2","0.5","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021161","8.9168","0.0012","10.1941","0.0014","10.4065","0.0014","104.682","0.002","114.636","0.002","91.116","0.003","823.29","0.19","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O -","- C15 H14 O -","- C45 H42 O3 -","3","1.5","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021162","16.5047","0.0014","9.6141","0.0008","15.5962","0.0014","90","","99.292","0.002","90","","2442.3","0.4","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H32 O3 Si4 -","- C19 H32 O3 Si4 -","- C76 H128 O12 Si16 -","4","2","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021163","10.575","0.002","15.203","0.003","18.436","0.004","90","","91.464","0.004","90","","2963","1","150","2","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H29.5 Br2 N8 O3.75 -","- C26 H22 Br2 N8 O3.75 -","- C104 H88 Br8 N32 O15 -","4","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021164","15.166","0.003","11.716","0.002","14.637","0.002","90","","120.821","0.002","90","","2233.5","0.7","130","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","0.5","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021165","8.8032","0.0008","9.5861","0.0009","14","0.001","80.508","0.001","84.667","0.001","78.382","0.001","1139.2","0.17","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Br2 N5 O -","- C22 H25 Br2 N5 O -","- C44 H50 Br4 N10 O2 -","2","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021166","8.765","0.0005","11.6935","0.0007","25.16","0.002","90","","96.921","0.002","90","","2560","0.3","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Br2 N5 O -","- C25 H31 Br2 N5 O -","- C100 H124 Br8 N20 O4 -","4","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021167","18.661","0.001","23.019","0.001","15.0869","0.0008","90","","101.066","0.001","90","","6360.2","0.6","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H46 Br2 N4 O2.5 -","- C31.5 H44 Br2 N4 O2.5 -","- C252 H352 Br16 N32 O20 -","8","2","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021168","9.7626","0.0009","13.5268","0.001","19.073","0.002","90","","91.604","0.001","90","","2517.7","0.4","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Br2 N4 O2 -","- C25 H32 Br2 N4 O2 -","- C100 H128 Br8 N16 O8 -","4","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021169","10.5409","0.0007","13.3867","0.0009","14.198","0.001","92.181","0.002","105.02","0.002","112.622","0.002","1764.7","0.2","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 Br2 N4 O5 -","- C33 H50 Br2 N4 O5 -","- C66 H100 Br4 N8 O10 -","2","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021170","13.625","0.004","13.625","0.004","17.1","0.003","90","","90","","90","","3174","2","300","2","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C28 H41 Br2 N4 O4 -","- C28 H41 Br2 N4 O3.5 -","- C112 H164 Br8 N16 O14 -","4","0.25","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","208203","2020-10-21","18:00:00",""
"4021171","8.8418","0.0007","11.978","0.001","12.1904","0.001","69.056","0.001","89.769","0.001","72.941","0.001","1145.33","0.16","300","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Br2 N4 O -","- C23 H26 Br2 N4 O -","- C46 H52 Br4 N8 O2 -","2","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021172","27.211","0.003","27.211","0.003","27.211","0.003","118.6","0.02","118.6","0.02","118.6","0.02","6150","25","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C43 H47 Cl N2 O7 -","- C43 H47 Cl N2 O7 -","- C258 H282 Cl6 N12 O42 -","6","1","","Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán","Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids","Journal of Organic Chemistry","2004","69","","6883","6885","10.1021/jo049113h","","","","","","","0.0783","","","0.2303","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021173","35.941","0.008","13.913","0.003","25.759","0.006","90","","116.022","0.004","90","","11574.8","4.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C51 H54 Cl N7 O11 -","- C51 H54 Cl N7 O11 -","- C408 H432 Cl8 N56 O88 -","8","2","","Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán","Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids","Journal of Organic Chemistry","2004","69","","6883","6885","10.1021/jo049113h","","","","","","","0.1476","","","0.3526","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021174","12.212","0.0002","9.663","0.0002","14.228","0.0003","90","","97.366","0.0014","90","","1665.11","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Radan Schiller; Milan Pour; Helena Fáková; Jiři Kuneš; Ivana Císařová","Neighboring Group Effect in Pd-Catalyzed Carbonylation Terminated by Lactonization: A Need for a Protective Group and/or DMF","Journal of Organic Chemistry","2004","69","","6761","6765","10.1021/jo049114+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021175","12.112","0.008","6.291","0.004","13.038","0.009","90","","98.248","0.009","90","","983.1","1.2","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol, (S)-2-(3-methylphenyl)propionic acid","","","- C23 H25 N O3 -","- C23 H24 N O3 -","- C46 H48 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021176","10.04","0.02","6.261","0.01","17.58","0.03","90","","95.48","0.02","90","","1100","3.4","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol, (S)-2-(4-isobutylphenyl)propionic acid","","","- C26 H31 N O3 -","- C26 H30 N O3 -","- C52 H60 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021177","12.81","0.02","6.099","0.007","12.65","0.01","90","","95.28","0.02","90","","984.1","1.7","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol,(S)-3-phenylbutyric acid","","","- C23 H25 N O3 -","- C23 H24 N O3 -","- C46 H48 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021178","11.206","0.003","13.618","0.006","5.869","0.003","97.73","0.03","99.51","0.03","75.43","0.03","850.9","0.6","296.1","","","","","","","","","","","4","P 1","P 1","1","(1S,2R)-1-aminoindan-2-ol,(R)-3-phenylbutyric acid","","","- C19 H23 N O3 -","- C19 H22 N O3 -","- C38 H44 N2 O6 -","2","2","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021179","8.8931","0.0018","11.851","0.002","10.408","0.002","90","","97.25","0.03","90","","1088.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","","Per Wiklund; Mark Rogers-Evans; Jan Bergman","Synthesis of 1,4-Benzodiazepine-3,5-diones","Journal of Organic Chemistry","2004","69","","6371","6376","10.1021/jo049169b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021180","4.996","0.0002","14.473","0.0007","16.455","0.0008","90","","90","","90","","1189.81","0.09","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 N -","- C18 H11 N -","- C72 H44 N4 -","4","1","","Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou","Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","6674","6678","10.1021/jo049192x","","","","","","","0.0748","","","0.1487","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021181","7.832","0.0003","7.982","0.0005","15.775","0.0009","97.1","0.002","96.593","0.002","117.374","0.002","852.39","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N O2 -","- C23 H16 N O2 -","- C46 H32 N2 O4 -","2","1","","Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou","Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","6674","6678","10.1021/jo049192x","","","","","","","0.0646","","","0.1678","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021182","10.6243","0.0001","16.1488","0.0002","23.9876","0.0004","90","","90","","90","","4115.55","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H43 Cl N3 P Pd -","- C51 H43 Cl N3 P Pd -","- C204 H172 Cl4 N12 P4 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021183","13.2921","0.0001","14.3043","0.0002","21.8897","0.0002","90","","90","","90","","4161.98","0.08","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl N3 P Pd -","- C48 H45 Cl N3 P Pd -","- C192 H180 Cl4 N12 P4 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021184","13.207","0.0007","13.9716","0.0008","25.6685","0.0014","90","","90","","90","","4736.4","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 Cl6 F6 N3 P2 Pd -","- C46 H39 Cl6 F6 N3 P2 Pd -","- C184 H156 Cl24 F24 N12 P8 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021185","11.4972","0.0001","15.6101","0.0001","21.7615","0.0002","90","","90","","90","","3905.59","0.06","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39.4 F6 N3 O0.2 P2 Pd -","- C45 H39 F5.96 N3 O0.2 P2 Pd -","- C180 H156 F23.84 N12 O0.8 P8 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021186","11.2498","0.0012","16.1672","0.0017","11.379","0.0012","90","","92.273","0.002","90","","2068","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H43 F6 N3 P2 Pd -","- C47 H43 F6 N3 P2 Pd -","- C94 H86 F12 N6 P4 Pd2 -","2","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021187","18.17","0.003","28.681","0.003","14.745","0.003","90","","104","0.01","90","","7456","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H104 N6 O13 -","- C78 H99.456 N6 O13 -","- C312 H397.824 N24 O52 -","4","0.5","","Amanda J. Gallant; Brian O. Patrick; Mark J. MacLachlan","Mild and Selective Reduction of Imines: Formation of an Unsymmetrical Macrocycle","Journal of Organic Chemistry","2004","69","","8739","8744","10.1021/jo049197u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178389","2020-10-21","18:00:00",""
"4021188","9.1297","0.0012","14.984","0.002","13.598","0.002","90","","94.62","0.02","90","","1854.2","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N6 S -","- C19 H16 N6 S -","- C76 H64 N24 S4 -","4","1","","Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler","Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores","Journal of Organic Chemistry","2004","69","","8239","8243","10.1021/jo049230c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021189","9.471","0.002","10.193","0.002","12.338","0.003","69.97","0.009","88.88","0.02","83.964","0.013","1112.6","0.4","183","","183","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17.31 Cl2.69 N6 S -","- C20 H17.309 Cl2.691 N6 S -","- C40 H34.618 Cl5.382 N12 S2 -","2","1","","Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler","Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores","Journal of Organic Chemistry","2004","69","","8239","8243","10.1021/jo049230c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021190","7.5253","0.0007","9.0591","0.0013","20.415","0.003","90","","90","","90","","1391.8","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","","Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler","Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores","Journal of Organic Chemistry","2004","69","","8239","8243","10.1021/jo049230c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021191","8.8462","0.0003","13.2625","0.0003","13.9418","0.0004","79.149","0.001","75.73","0.001","81.734","0.001","1548.71","0.07","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 F N2 O3 S -","- C16 H12.5 F N2 O3 S -","- C64 H50 F4 N8 O12 S4 -","4","2","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0815","","","0.1167","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021192","9.839","0.0002","10.523","0.0002","27.04","0.0005","90","0.001","90.86","0.001","90.01","0.001","2799.29","0.08","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 F N2 O5 S -","- C28 H33 F N2 O5 S -","- C112 H132 F4 N8 O20 S4 -","4","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0726","","","0.0873","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021193","9.3719","0.0002","10.8785","0.0004","12.7849","0.0005","86.311","0.002","82.031","0.001","65.274","0.002","1172.48","0.07","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 F N2 O4 S2 -","- C24 H21 F N2 O4 S2 -","- C48 H42 F2 N4 O8 S4 -","2","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.1263","","","0.1305","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021194","10.0094","0.0002","13.2628","0.0003","35.0466","0.0005","90.009","0.001","90.011","0.001","89.986","0.001","4652.5","0.1","293.2","","293.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 F N2 O4 S -","- C24 H27 F N2 O4 S -","- C192 H216 F8 N16 O32 S8 -","8","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0448","","","0.047","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021195","9.1023","0.0002","9.7623","0.0003","14.385","0.0004","86.987","0.001","86.25","0.001","69.955","0.001","1197.62","0.05","293.2","","293.2","","","","","","","","","4","P 1","P 1","1","","","","- C27 H28 N3 O3.5 -","- C27.5 H26 N3 O4 -","- C55 H52 N6 O8 -","2","2","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0739","","","0.116","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021196","11.9556","0.0002","13.4798","0.0003","13.754","0.0003","65.596","0.001","70.13","0.001","79.132","0.001","1895.37","0.07","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 F N2 O3 S -","- C20 H17 F N2 O3 S -","- C80 H68 F4 N8 O12 S4 -","4","2","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0582","","","0.0759","","","","","","","","","","","has coordinates","209045","2020-10-21","18:00:00",""
"4021197","7.941","0.004","7.367","0.004","13.372","0.006","90","0.1","97.4","0.04","90","0.2","775.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C32 H40 O6 S2 -","2","1","","Naoyoshi Maezaki; Hiroaki Sawamoto; Sachiko Yuyama; Ryoko Yoshigami; Tomoko Suzuki; Mayuko Izumi; Hirofumi Ohishi; Tetsuaki Tanaka","Asymmetric Intramolecular Michael Addition of α-Sulfinyl Vinylic Carbanion to Enoates","Journal of Organic Chemistry","2004","69","","6335","6340","10.1021/jo0492923","","","","","","","0.0734","","","0.2116","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021198","9.589","0.006","11.098","0.007","12.723","0.008","104.172","0.009","97.689","0.01","107.21","0.009","1222.5","1.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","spiro-furooxindole","","","- C30 H23 N O6 -","- C30 H21.5 N O6 -","- C60 H43 N2 O12 -","2","1","","Sengodagounder Muthusamy; Chidambaram Gunanathan; Munirathinam Nethaji","Multicomponent Reactions of Diazoamides: Diastereoselective Synthesis of Mono- and Bis-spirofurooxindoles","Journal of Organic Chemistry","2004","69","","5631","5637","10.1021/jo0493119","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021199","20.9249","0.0013","9.3581","0.0006","26.1944","0.0016","90","","90","","90","","5129.3","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 I N2 O3 -","- C25 H27 Cl2 I N2 O3 -","- C200 H216 Cl16 I8 N16 O24 -","8","1","","Shengming Ma; Bukuo Ni; Zhiqiang Liang","Highly Selective Synthesis of Bicyclic Quinolizidine Alkaloids and Their Analogues via Double RCM Reaction of N-Alkynyl-N-(1,ω)-alkadienyl Acrylamides","Journal of Organic Chemistry","2004","69","","6305","6309","10.1021/jo0493121","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021200","8.2029","0.0008","19.488","0.002","8.3016","0.0008","90","","90.423","0.002","90","","1327","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 B3 N O3 -","- C11 H14 B3 N O3 -","- C44 H56 B12 N4 O12 -","4","1","","Neola F. McKinley; Donal F. O'Shea","Efficient Synthesis of Aryl Vinyl Ethers Exploiting 2,4,6-Trivinylcyclotriboroxane as a Vinylboronic Acid Equivalent","Journal of Organic Chemistry","2004","69","","5087","5092","10.1021/jo049314l","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021201","12.689","0.003","11.775","0.002","19.05","0.004","90","","104.04","0.03","90","","2761.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Cl F8 O4 S -","- C27 H15 Cl F8 O4 S -","- C108 H60 Cl4 F32 O16 S4 -","4","1","","Chunhui Xing; Shizheng Zhu","Unexpected Formation of Tetrasubstituted 2,3-Dihydrofurans from the Reactions of β-Keto Polyfluoroalkanesulfones with Aldehydes","Journal of Organic Chemistry","2004","69","","6486","6488","10.1021/jo049317y","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021202","8.8288","0.0002","9.2367","0.0002","11.4322","0.0003","102.034","0.0009","109.597","0.0011","97.3298","0.001","839.01","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","","Antonín Klásek; Vladimír Mrkvička; Andrej Pevec; Janez Košmrlj","Novel Tandem Hydration/Cyclodehydration of α-Thiocyanatoketones to 2-Oxo-3-thiazolines. Application to Thiazolo[5,4-c]quinoline-2,4(3aH,5H)-dione Synthesis","Journal of Organic Chemistry","2004","69","","5646","5651","10.1021/jo0493370","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021203","10.4315","0.0002","10.9832","0.0002","17.7826","0.0004","78.0515","0.0008","74.4187","0.0008","63.0264","0.001","1740.38","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 D6 N2 O3 S2 -","- C18 H16 N2 O3 S2 -","- C72 H64 N8 O12 S8 -","4","2","","Antonín Klásek; Vladimír Mrkvička; Andrej Pevec; Janez Košmrlj","Novel Tandem Hydration/Cyclodehydration of α-Thiocyanatoketones to 2-Oxo-3-thiazolines. Application to Thiazolo[5,4-c]quinoline-2,4(3aH,5H)-dione Synthesis","Journal of Organic Chemistry","2004","69","","5646","5651","10.1021/jo0493370","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021204","34.068","0.0004","5.908","0.0002","17.56","0.0007","90","","115.704","0.002","90","","3184.6","0.2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","1","","Arumugasamy Elangovan; Jui-Hsien Lin; Shu-Wen Yang; Hsien-Yi Hsu; Tong-Ing Ho","Synthesis and Electrogenerated Chemiluminescence of Donor-Substituted Phenylethynylcoumarins","Journal of Organic Chemistry","2004","69","","8086","8092","10.1021/jo0493424","","","","","","","0.0582","","","0.1354","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021205","6.5986","0.0007","6.5986","0.0007","53.743","0.008","90","","90","","90","","2340","0.5","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","2-(3-pyridinyl) 2-adamantanol","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti; Romina Rompietti","Conformational Studies by Dynamic NMR. 100. Enantiomerization Process of Stereolabile Atropisomers in Pyridine-Substituted Adamantane Derivatives","Journal of Organic Chemistry","2004","69","","5746","5748","10.1021/jo0493471","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021206","10.6837","0.0004","6.2994","0.0003","18.8641","0.0008","90","","102.031","0.003","90","","1241.69","0.08","198.2","","198.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 N O5 S Si -","- C23 H37 N O5 S Si -","- C46 H74 N2 O10 S2 Si2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021207","21.9379","0.0008","13.6295","0.0004","23.4087","0.0008","90","","95.352","0.001","90","","6968.8","0.4","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O7 S -","- C24 H26 N2 O7 S -","- C288 H312 N24 O84 S12 -","12","3","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021208","7.6587","0.0006","13.4467","0.0008","21.746","0.002","90","","96.428","0.004","90","","2225.5","0.3","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O7 S -","- C23 H24 N2 O7 S -","- C92 H96 N8 O28 S4 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021209","7.2502","0.0004","9.5567","0.0002","11.4933","0.0004","74.275","0.007","88.836","0.009","82.337","0.007","759.59","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021210","16.729","0.003","5.8591","0.0006","11.03","0.002","90","","124.594","0.005","90","","890","0.2","173.2","","173.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021211","8.487","0.001","9.995","0.001","11.49","0.001","102.914","0.004","98.745","0.004","103.773","0.004","900.72","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N O3 S -","- C20 H27 N O3 S -","- C40 H54 N2 O6 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021212","7.671","0.002","18.709","0.006","12.796","0.004","90","","102.651","0.007","90","","1791.7","0.9","173.2","","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021213","7.4427","0.0006","10.3584","0.0005","13.936","0.001","71.63","0.02","78.15","0.02","65.69","0.02","925.7","0.2","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Br N O4 S -","- C18 H24 Br N O4 S -","- C36 H48 Br2 N2 O8 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Synthesis of Functionalized 1-Azaspirocyclic Cyclopentanones Using Bronsted Acid or N-Bromosuccinimide Promoted Ring Expansions","Journal of Organic Chemistry","2004","69","","5668","5675","10.1021/jo0493572","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021214","8.5128","0.0003","10.6631","0.0005","11.7965","0.0003","82.36","0.007","72.012","0.007","87.946","0.008","1009.41","0.08","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C44 H48 Br2 N2 O6 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Synthesis of Functionalized 1-Azaspirocyclic Cyclopentanones Using Bronsted Acid or N-Bromosuccinimide Promoted Ring Expansions","Journal of Organic Chemistry","2004","69","","5668","5675","10.1021/jo0493572","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021215","7.7471","0.0005","10.4488","0.0007","23.685","0.002","90","","94.995","0.004","90","","1909.9","0.2","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br N O3 S -","- C19 H24 Br N O3 S -","- C76 H96 Br4 N4 O12 S4 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Synthesis of Functionalized 1-Azaspirocyclic Cyclopentanones Using Bronsted Acid or N-Bromosuccinimide Promoted Ring Expansions","Journal of Organic Chemistry","2004","69","","5668","5675","10.1021/jo0493572","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021216","14.179","0.0004","16.536","0.0005","19.672","0.0006","107.62","0.001","97.17","0.001","114.33","0.001","3836.7","0.2","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C162 H156 N8 O14 -","- C81 H78 N4 O7 -","- C162 H156 N8 O14 -","2","2","","Zi-Bo Li; Jing Lin; Hui-Chang Zhang; Michal Sabat; Marilise Hyacinth; Lin Pu","Macrocyclic Bisbinaphthyl Fluorophores and Their Acyclic Analogues: Signal Amplification and Chiral Recognition","Journal of Organic Chemistry","2004","69","","6284","6293","10.1021/jo049366a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021217","10.641","0.003","18.805","0.005","34.692","0.009","90","","90","","90","","6942","3","150.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73.5 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C73.97 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C295.88 H266 Cl34 N8 O10 P8 Pd8 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021218","10.841","0.003","12.86","0.003","13.625","0.003","100.916","0.003","96.331","0.003","104.576","0.003","1780","0.8","173.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C74 H66 Cl10 N2 O2 P2 Pd2 -","- C74 H66 Cl10 N2 O2 P2 Pd2 -","- C74 H66 Cl10 N2 O2 P2 Pd2 -","1","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021219","11.253","0.002","14.021","0.002","22.776","0.003","90","","90","","90","","3593.8","0.9","173.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 Cl5 N O P Pt -","- C37 H33 Cl5 N O P Pt -","- C148 H132 Cl20 N4 O4 P4 Pt4 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021220","30.16","0.001","14.1","0.0004","17.32","0.0005","90","","90","","90","","7365.4","0.4","173.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl2 N O4 P Pd -","- C39 H32 Cl2 N O3.5 P Pd -","- C312 H256 Cl16 N8 O28 P8 Pd8 -","8","2","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021221","12.259","0.003","10.597","0.002","12.465","0.003","90","","93.697","0.001","90","","1615.9","0.6","173.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N O2 P Pd -","- C36 H32 Cl2 N O2 P Pd -","- C72 H64 Cl4 N2 O4 P2 Pd2 -","2","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021222","12.785","0.003","14.625","0.004","19.215","0.005","90","","90","","90","","3593","1","173.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl5 N O P Pd -","- C39 H35 Cl5 N O P Pd -","- C156 H140 Cl20 N4 O4 P4 Pd4 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021223","12.12","0.003","18.035","0.004","9.63","0.002","90","","90","","90","","2105","0.9","298","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H29 N O3 -","- C24 H27.5 N O3 -","- C96 H110 N4 O12 -","4","1","","Katsunori Tanaka; Toyoharu Kobayashi; Hajime Mori; Shigeo Katsumura","Development of Highly Stereoselective Asymmetric 6π-Azaelectrocyclization of Conformationally Flexible Linear 1-Azatrienes. From Determination of Multifunctional Chiral Amines, 7-Alkyl cis-1-Amino-2-indanols, to Application as a New Synthetic Strategy: Formal Synthesis of 20-Epiuleine","Journal of Organic Chemistry","2004","69","","5906","5925","10.1021/jo049381f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021224","11.4839","0.0001","13.9771","0.0008","11.4027","0.0002","90","","45.477","0.002","90","","1304.93","0.08","296.1","","","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C30 H30 N O P -","- C30 H30 N O P -","- C60 H60 N2 O2 P2 -","2","1","","Takahiro Nishimura; Yoshiki Nishiguchi; Yasunari Maeda; Sakae Uemura","Palladium-Catalyzed Transformation of Cyclobutanone O-Benzoyloximes to Nitriles via C-C Bond Cleavage","Journal of Organic Chemistry","2004","69","","5342","5347","10.1021/jo049385k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021225","9.685","0.003","20.895","0.005","11.748","0.003","90","","108.501","0.003","90","","2254.6","1","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe O4 -","- C28 H26 Fe O4 -","- C112 H104 Fe4 O16 -","4","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021226","14.79","0.002","15.017","0.002","17.581","0.002","107.85","0.005","92.253","0.005","119.304","0.005","3155.8","0.7","108.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C156 H152 Fe6 O12 -","- C156 H135 Fe6 O12 -","- C156 H135 Fe6 O12 -","1","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021227","11.453","0.004","7.475","0.003","14.766","0.002","90","","105.35","0.02","90","","1219","0.7","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 Fe O4 -","- C28 H26 Fe O4 -","- C56 H52 Fe2 O8 -","2","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021228","11.342","0.001","8.556","0.001","11.415","0.001","90","","70.701","0.005","90","","1045.6","0.2","108.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Fe N O2 -","- C26 H25 Fe N O2 -","- C52 H50 Fe2 N2 O4 -","2","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021229","12.374","0.003","23.286","0.002","7.684","0.002","90","","90","","90","","2214.3","0.7","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Fe N O -","- C26 H27 Fe N O -","- C104 H108 Fe4 N4 O4 -","4","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021230","8.1918","0.0003","11.178","0.0005","13.5924","0.0007","90","","96.492","0.0019","90","","1236.65","0.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021231","15.6042","0.0006","8.7485","0.0004","11.0256","0.0005","90","","120.186","0.0019","90","","1301.04","0.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021232","14.4551","0.0003","16.5721","0.0005","8.0504","0.0004","90","","90","","90","","1928.48","0.12","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021233","10.015","0.002","14.07","0.002","17.975","0.003","90","","90","","90","","2532.8","0.7","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Si2 -","- C30 H28 Si2 -","- C120 H112 Si8 -","4","1","","Keigo Suzuki; Yusuke Kawakami; Devadasan Velmurugan; Takashi Yamane","Stereoselective Synthesis of Optically Active Disilanes and Selective Functionalization by the Cleavage of Silicon-Naphthyl Bonds with Bromine","Journal of Organic Chemistry","2004","69","","5383","5389","10.1021/jo049398y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021234","23.275","0.002","18.33","0.002","22.8247","0.0018","90","","116.592","0.006","90","","8707.8","1.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100.5 H117 N4 O4.5 -","- C100.5 H112.5 N4 O4.5 -","- C402 H450 N16 O18 -","4","1","","Jonathan P. Hill; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Amy Lea McCarty; Paul A. Karr; Melvin E. Zandler; Francis D'Souza","Highly Nonplanar, Electron Deficient, N-Substituted tetra-Oxocyclohexadienylidene Porphyrinogens: Structural, Computational, and Electrochemical Investigations","Journal of Organic Chemistry","2004","69","","5861","5869","10.1021/jo049401d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021235","22.669","0.007","20.1","0.006","23.474","0.007","90","","118.169","0.004","90","","9429","5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C110 H130 N4 O4 -","- C110 H130 N4 O4 -","- C440 H520 N16 O16 -","4","1","","Jonathan P. Hill; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Amy Lea McCarty; Paul A. Karr; Melvin E. Zandler; Francis D'Souza","Highly Nonplanar, Electron Deficient, N-Substituted tetra-Oxocyclohexadienylidene Porphyrinogens: Structural, Computational, and Electrochemical Investigations","Journal of Organic Chemistry","2004","69","","5861","5869","10.1021/jo049401d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021236","12.448","0.005","22.616","0.005","8.839","0.002","90","","90","","90","","2488.5","0.1","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N2 O3 P -","- C26 H29 N2 O3 P -","- C104 H116 N8 O12 P4 -","4","1","","Yoshinori Kohmura; Toshiaki Mase","A Highly Stereoselective Synthesis of Optically Active Trisubstituted 1,2-Ethylenediamines: The First Example of Grignard Addition to N-Diphenylphosphinoyl Ketimines Derived from Amino Acids","Journal of Organic Chemistry","2004","69","","6329","6334","10.1021/jo049405i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021237","30.022","0.002","8.7667","0.0007","25.924","0.002","90","","91.413","0.002","90","","6821","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 O8 -","- C40 H40 O8 -","- C320 H320 O64 -","8","1","","Jun-Li Hou; Mu-Xin Jia; Xi-Kui Jiang; Zhan-Ting Li; Guang-Ju Chen","Solvophobically-Driven Oligo(ethylene glycol) Helical Foldamers. Synthesis, Characterization, and Complexation with Ethane-1,2-diaminium","Journal of Organic Chemistry","2004","69","","6228","6237","10.1021/jo049420n","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021238","6.45","0.002","18.538","0.007","20.6","0.008","90","","90","","90","","2463.1","1.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","1","","Alisher B. Khasanov; Michele M. Ramirez-Weinhouse; Thomas R. Webb; Mohan Thiruvazhi","Novel Asymmetric Approach to Proline-Derived Spiro-β-lactams","Journal of Organic Chemistry","2004","69","","5766","5769","10.1021/jo049430o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021239","14.229","0.0007","18.035","0.0007","25.137","0.0009","72.471","0.0015","88.187","0.0012","80.469","0.0013","6065.1","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C153.5 H106 Cl8.18 -","- C153.5 H106 Cl8.1776 -","- C307 H212 Cl16.3552 -","2","1","","Jishan Wu; Željko Tomovič; Volker Enkelmann; Klaus Müllen","From Branched Hydrocarbon Propellers to C~3~-Symmetric Graphite Disks","Journal of Organic Chemistry","2004","69","","5179","5186","10.1021/jo049452a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021240","11.84","0.01","18.897","0.005","11.573","0.003","104.16","0.02","96.25","0.05","82.52","0.05","2481","2","293.2","","293.2","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H68 O10 -","- C52 H68 O10 -","- C104 H136 O20 -","2","1","","Noa Seri; Iris Thondorf; Silvio E. Biali","Preparation and Conformation of Dioxocalix[4]arene Derivatives","Journal of Organic Chemistry","2004","69","","4774","4780","10.1021/jo049466g","","","","","","","0.077","","","0.118","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021241","15.4","0.01","12.935","0.004","27.73","0.01","90","","105.76","0.05","90","","5317","4","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 N2 O12 -","- C56 H56 N3 O16 -","- C224 H224 N12 O64 -","4","1","","Noa Seri; Iris Thondorf; Silvio E. Biali","Preparation and Conformation of Dioxocalix[4]arene Derivatives","Journal of Organic Chemistry","2004","69","","4774","4780","10.1021/jo049466g","","","","","","","0.089","","","0.125","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021242","8.6067","0.0016","14.92","0.003","14.587","0.003","90","","93.004","0.003","90","","1870.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H53.36 O6.68 -","- C44 H52 O6.682 -","- C88 H104 O13.364 -","2","0.5","","Noa Seri; Iris Thondorf; Silvio E. Biali","Preparation and Conformation of Dioxocalix[4]arene Derivatives","Journal of Organic Chemistry","2004","69","","4774","4780","10.1021/jo049466g","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021243","11.274","0.007","16.489","0.008","11.217","0.005","90","","90","","90","","2085","2","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 N O2 P -","- C24 N O2 P -","- C96 N4 O8 P4 -","4","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021244","15.651","0.004","6.518","0.002","12.89","0.004","90","","96.18","0.02","90","","1307.3","0.7","298","","","","","","","","","","","6","P 1","P 1","1","","","","- C27 H34 N O2 P Si -","- C27 N O2 P Si -","- C54 N2 O4 P2 Si2 -","2","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021245","10.4","0.003","11.376","0.003","11.875","0.003","64.595","0.003","73.545","0.003","80.628","0.003","1215.7","0.5","100.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C25 H29 Cl2 N O2.5 P Pd -","- C25 H27.5 Cl2 N O2.5 P Pd -","- C50 H55 Cl4 N2 O5 P2 Pd2 -","2","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021246","25.1927","0.0007","12.5759","0.0004","30.9084","0.0009","90","","90","","90","","9792.4","0.5","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H63 Cl2 I O4 -","- C52 H63 Cl2 I O4 -","- C416 H504 Cl16 I8 O32 -","8","1","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Multinuclear Calixarene Synthons with Covalently Linked Aryl-Palladium(II) Complexes","Journal of Organic Chemistry","2004","69","","6394","6403","10.1021/jo0494782","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021247","15.1582","0.0006","26.6443","0.0008","22.1283","0.0007","90","","101.198","0.002","90","","8767","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H102 Cl6 I2 O6 -","- C86 H102 Cl6 I2 O6 -","- C344 H408 Cl24 I8 O24 -","4","1","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Multinuclear Calixarene Synthons with Covalently Linked Aryl-Palladium(II) Complexes","Journal of Organic Chemistry","2004","69","","6394","6403","10.1021/jo0494782","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021248","6.0831","0.0002","11.3917","0.0005","20.053","0.001","90","","90","","90","","1389.6","0.1","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N5 O2 -","- C13 H16 N5 O2 -","- C52 H64 N20 O8 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021249","6.5406","0.0001","13.1924","0.0003","25.7914","0.0008","90","","95.0885","0.0009","90","","2216.67","0.09","298","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N7 -","- C26 H20 N7 -","- C104 H80 N28 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021251","7.3818","0.0003","17.5152","0.0009","12.1987","0.0008","90","","120","0.18","90","","1407.07","0.13","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N5 O2 -","- C13 H16 N5 O2 -","- C52 H64 N20 O8 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021252","7.6357","0.0002","16.5403","0.0005","13.775","0.0005","90","","105.379","0.0012","90","","1677.44","0.09","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N5 O6 -","- C13 H16 Cl N5 O6 -","- C52 H64 Cl4 N20 O24 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021253","7.263","0.0006","13.449","0.0012","16.958","0.0015","90","","101.283","0.0052","90","","1624.4","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N5 O6 -","- C13 H16 Cl N5 O6 -","- C52 H64 Cl4 N20 O24 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021254","9.8869","0.0016","10.2778","0.0016","15.52","0.003","90","","105.827","0.003","90","","1517.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O S -","- C19 H14 O S -","- C76 H56 O4 S4 -","4","1","","Kuo-Jui Chang; Dinesh Kumar Rayabarapu; Chien-Hong Cheng","Cobalt-Catalyzed Regioselective Carbocyclization Reaction of o-Iodophenyl Ketones and Aldehydes with Alkynes, Acrylates, and Acrylonitrile: A Facile Route to Indenols and Indenes","Journal of Organic Chemistry","2004","69","","4781","4787","10.1021/jo049506g","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021255","3.907","0.001","23.189","0.002","8.02","0.001","90","","97.83","0.01","90","","719.8","","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","0.5","","Hsiu-Chih Yeh; Wei-Ching Wu; Yuh-Sheng Wen; De-Chang Dai; Juen-Kai Wang; Chin-Ti Chen","Derivative of α,β-Dicyanostilbene: Convenient Precursor for the Synthesis of Diphenylmaleimide Compounds, E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence","Journal of Organic Chemistry","2004","69","","6455","6462","10.1021/jo049512c","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021256","7.9926","0.0009","9.4626","0.0012","10.6914","0.0015","92.131","0.011","110.063","0.01","74.017","0.01","728.7","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Hsiu-Chih Yeh; Wei-Ching Wu; Yuh-Sheng Wen; De-Chang Dai; Juen-Kai Wang; Chin-Ti Chen","Derivative of α,β-Dicyanostilbene: Convenient Precursor for the Synthesis of Diphenylmaleimide Compounds, E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence","Journal of Organic Chemistry","2004","69","","6455","6462","10.1021/jo049512c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021257","8.0332","0.001","11.976","0.002","8.721","0.0013","90","","115.331","0.007","90","","758.34","0.19","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F6 N2 -","- C18 H8 F6 N2 -","- C36 H16 F12 N4 -","2","0.5","","Hsiu-Chih Yeh; Wei-Ching Wu; Yuh-Sheng Wen; De-Chang Dai; Juen-Kai Wang; Chin-Ti Chen","Derivative of α,β-Dicyanostilbene: Convenient Precursor for the Synthesis of Diphenylmaleimide Compounds, E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence","Journal of Organic Chemistry","2004","69","","6455","6462","10.1021/jo049512c","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021258","5.525","0.0002","30.929","0.0013","8.114","0.0004","90","","95.724","0.002","90","","1379.63","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Masakazu Atobe; Naoki Yamazaki; Chihiro Kibayashi","Enantioselective Synthesis of Primary 1-(Aryl)alkylamines by Nucleophilic 1,2-Addition of Organolithium Reagents to Hydroxyoxime Ethers and Application to Asymmetric Synthesis of G-Protein-Coupled Receptor Ligands","Journal of Organic Chemistry","2004","69","","5595","5607","10.1021/jo049517+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021259","10.6008","0.0007","17.7561","0.0012","22.3322","0.0015","90","","90","","90","","4203.6","0.5","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41.8 H30.8 Cl5.4 F3 N4 Ni O6 -","- C41.8 H30.8 Cl5.4 F3 N4 Ni O6 -","- C167.2 H123.2 Cl21.6 F12 N16 Ni4 O24 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby","Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines","Journal of Organic Chemistry","2004","69","","4984","4990","10.1021/jo0495438","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021260","13.416","0.003","14.882","0.003","16.949","0.003","90","","90","","90","","3384.1","1.1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Cl2 N4 Ni O8 -","- C36 H34 Cl2 N4 Ni O8 -","- C144 H136 Cl8 N16 Ni4 O32 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby","Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines","Journal of Organic Chemistry","2004","69","","4984","4990","10.1021/jo0495438","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021261","10.4821","0.0001","14.2325","0.0002","12.542","0.0002","90","","106.365","0.001","90","","1795.29","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br N2 O -","- C22 H19 Br N2 O -","- C88 H76 Br4 N8 O4 -","4","1","","Alexis D. C. Parenty; Louise V. Smith; Alexandra L. Pickering; De-Liang Long; Leroy Cronin","General One-Pot, Three-Step Methodology Leading to an Extended Class of N-Heterocyclic Cations: Spontaneous Nucleophilic Addition, Cyclization, and Hydride Loss","Journal of Organic Chemistry","2004","69","","5934","5946","10.1021/jo0495440","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021262","10.604","0.002","20.826","0.004","14.896","0.003","90","","103.04","0.03","90","","3204.8","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N3 O4 -","- C38 H37 N3 O4 -","- C152 H148 N12 O16 -","4","1","","Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine","First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies","Journal of Organic Chemistry","2004","69","","6521","6527","10.1021/jo0495485","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","205842","2020-10-21","18:00:00",""
"4021263","16.579","0.003","13.251","0.003","24.292","0.005","90","","108.92","0.03","90","","5048.6","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Cl2 N4 O4 -","- C53 H58 Cl2 N4 O4 -","- C212 H232 Cl8 N16 O16 -","4","1","","Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine","First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies","Journal of Organic Chemistry","2004","69","","6521","6527","10.1021/jo0495485","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021264","11.505","0.002","11.831","0.002","13.798","0.003","87.57","0.03","81.38","0.03","71.05","0.03","1756.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C84 H92 N4 O12 -","2","1","","Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine","First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies","Journal of Organic Chemistry","2004","69","","6521","6527","10.1021/jo0495485","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021265","8.626","0.004","9.51","0.005","15.009","0.008","85.99","0.04","83.3","0.04","67.9","0.004","1132.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 F2 O Si2 -","- C23 H24 F2 O Si2 -","- C46 H48 F4 O2 Si4 -","2","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021266","10.164","0.002","14.289","0.002","15.983","0.002","77.14","0.01","89.16","0.01","78.98","0.01","2220.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 F2 O Si2 -","- C23 H24 F2 O Si2 -","- C92 H96 F8 O4 Si8 -","4","2","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021267","9.253","0.002","9.381","0.002","19.812","0.005","82.38","0.02","87.18","0.02","70.74","0.002","1609.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 F2 O Si2 -","- C38 H30 F2 O Si2 -","- C76 H60 F4 O2 Si4 -","2","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021268","7.635","0.004","28.691","0.011","7.983","0.003","90","","96.87","0.03","90","","1736.2","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 O Si -","- C20 H15 F2 O Si -","- C80 H60 F8 O4 Si4 -","4","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021269","15.9305","0.0012","7.2465","0.0006","28.317","0.002","90","","90","","90","","3268.9","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 F O Si -","- C20 H17 F O Si -","- C160 H136 F8 O8 Si8 -","8","2","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021270","10.787","0.003","19.561","0.006","9.255","0.003","90","","95.5","0.03","90","","1943.9","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 F2 I O Si -","- C20 H15 F2 I O Si -","- C80 H60 F8 I4 O4 Si4 -","4","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021271","9.871","0.002","9.926","0.002","12.366","0.002","85.81","0.01","71.51","0.01","83.29","0.01","1140.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F2 O2 Si -","- C27 H20 F2 O2 Si -","- C54 H40 F4 O4 Si2 -","2","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021272","13.193","0.004","19.517","0.006","15.745","0.006","90","","114.12","0.02","90","","3700","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cu F8 O5 Si2 -","- C27 H46 Cu F8 O5 Si2 -","- C108 H184 Cu4 F32 O20 Si8 -","4","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021273","10.23","0.004","11.19","0.006","14.989","0.005","90","","93.24","0.01","90","","1713","1","203.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 N P -","- C17 H26 N P -","- C68 H104 N4 P4 -","4","1","","Kozo Toyota; Subaru Kawasaki; Masaaki Yoshifuji","Preparation and Properties of Phosphaethynes Bearing Bulky Aryl Groups with Electron-Donating Substituents at the Para Position","Journal of Organic Chemistry","2004","69","","5065","5070","10.1021/jo049571q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021274","9.99","0.01","11.47","0.01","13.073","0.005","90","","108.77","0.04","90","","1417","2","295.2","","295.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H40 O4 S2 -","- C30 H38 O4 S2 -","- C60 H76 O8 S4 -","2","1","","Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy","Probing the Formation of Bicyclo[4.2.0]octan-1-ols","Journal of Organic Chemistry","2004","69","","5690","5698","10.1021/jo049576n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021275","9.237","0.002","25.003","0.006","6.24","0.002","90","","90","","90","","1441.2","0.6","295.2","","295.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 S -","- C14.98 H19 O2 S -","- C59.92 H76 O8 S4 -","4","1","","Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy","Probing the Formation of Bicyclo[4.2.0]octan-1-ols","Journal of Organic Chemistry","2004","69","","5690","5698","10.1021/jo049576n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021276","8.974","0.002","12.086","0.002","17.068","0.003","68.88","0.05","80.04","0.05","79.18","0.05","1684.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","mesomorphic phenanthroline derivative","","","- C40 H36 N4 O8 -","- C40 H36 N4 O8 -","- C80 H72 N8 O16 -","2","1","","Guillaume Pickaert; Michèle Cesario; Raymond Ziessel","A Convenient Protocol for the Synthesis of Ligands from a 4-Methyl-3,5-diacylaminophenyl Platform","Journal of Organic Chemistry","2004","69","","5335","5341","10.1021/jo049587g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021277","8.809","0.003","12.032","0.005","16.928","0.006","79.47","0.03","86.76","0.03","82.48","0.03","1747.9","1.1","177","2","177","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H37 N5 O8 -","- C42 H37 N5 O8 -","- C84 H74 N10 O16 -","2","1","","Guillaume Pickaert; Michèle Cesario; Raymond Ziessel","A Convenient Protocol for the Synthesis of Ligands from a 4-Methyl-3,5-diacylaminophenyl Platform","Journal of Organic Chemistry","2004","69","","5335","5341","10.1021/jo049587g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021278","11.6887","0.0017","4.4071","0.0007","12.1232","0.0018","90","","110.23","0.002","90","","585.98","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H8 Br I O Se -","- C9 H8 Br I O Se -","- C18 H16 Br2 I2 O2 Se2 -","2","1","","Shengming Ma; Xueshi Hao; Xiaofeng Meng; Xian Huang","Studies on the Regio- and Stereoselectivity of Halohydroxylation of 1,2-Allenyl Sulfides or Selenides","Journal of Organic Chemistry","2004","69","","5720","5724","10.1021/jo049593c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021279","9.788","0.005","11.371","0.005","24.734","0.005","90","0.005","95.939","0.005","90","0.005","2738.1","1.9","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H12 Br2 O3 -","- C13 H18 Br2 O3 -","- C104 H144 Br16 O24 -","8","1","","Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.","A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System","Journal of Organic Chemistry","2004","69","16","5295","5301","10.1021/jo049615v","","","","","","","","","","","","","","","","","","","","","has coordinates","210085","2020-10-21","18:00:00",""
"4021280","8.568","0.005","13.871","0.005","12.203","0.005","90","0.005","91.264","0.005","90","0.005","1449.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Br2 O3 -","- C13 H18 Br2 O3 -","- C52 H72 Br8 O12 -","4","1","","Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.","A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System","Journal of Organic Chemistry","2004","69","16","5295","5301","10.1021/jo049615v","","","","","","","","","","","","","","","","","","","","","has coordinates","210085","2020-10-21","18:00:00",""
"4021281","8.4178","0.0015","12.781","0.002","16.416","0.003","84.841","0.003","83.997","0.003","72.819","0.003","1674.9","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N2 O2 -","- C42 H38 N2 O2 -","- C84 H76 N4 O4 -","2","1","","A. Franco Bella; Alexandra M. Z. Slawin; John C. Walton","Approach to 3-Aminoindolin-2-ones via Oxime Ether Functionalized Carbamoylcyclohexadienes","Journal of Organic Chemistry","2004","69","","5926","5933","10.1021/jo049617f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021282","11.0767","0.0019","20.018","0.004","19.139","0.003","90","","94.683","0.003","90","","4229.6","1.3","125","0.1","125","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C80 H92 B2 Cl8 F8 O6 P4 Rh2 -","- C80 H92 B2 Cl8 F8 O6 P4 Rh2 -","- C160 H184 B4 Cl16 F16 O12 P8 Rh4 -","2","1","","Mohamed Aghmiz; Ali Aghmiz; Yolanda Díaz; Anna Masdeu-Bultó; Carmen Claver; Sergio Castillón","C~2~-Symmetric Diphosphinite Ligands Derived from Carbohydrates. The Strong Influence of Remote Stereocenters on Asymmetric Rhodium-Catalyzed Hydrogenation","Journal of Organic Chemistry","2004","69","","7502","7510","10.1021/jo0496502","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021283","10.495","0.002","10.495","0.002","42.528","0.012","90","","90","","90","","4684.1","1.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C47 H55 Cl2 N2 O5 P2 Rh -","- C47 H52 Cl2 N2 O5 P2 Rh -","- C188 H208 Cl8 N8 O20 P8 Rh4 -","4","0.5","","Yu Fu; Xun-Xiang Guo; Shou-Fei Zhu; Ai-Guo Hu; Jian-Hua Xie; Qi-Lin Zhou","Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Olefins Using Monodentate Spiro Phosphoramidite Ligands","Journal of Organic Chemistry","2004","69","","4648","4655","10.1021/jo049655z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021284","6.3241","0.0007","6.4956","0.0008","12.4132","0.0015","93.687","0.014","96.857","0.013","95.235","0.014","502.7","0.11","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","","P. Rzepecki; H. Gallmeier; N. Geib; Katarina Cernovska; B. König; T. Schrader","New Heterocyclic β-Sheet Ligands with Peptidic Recognition Elements","Journal of Organic Chemistry","2004","69","","5168","5178","10.1021/jo0496603","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021285","10.449","0.007","12.835","0.009","15.053","0.007","90","","106.81","0.05","90","","1932.6","0.2","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F4 N4 O6 -","- C19 H15 B F4 N4 O6 -","- C76 H60 B4 F16 N16 O24 -","4","1","","Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta","Novel Synthesis and Oxidizing Ability of Tropylium Ions Annulated with Two 2,4-Dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones","Journal of Organic Chemistry","2004","69","","4732","4740","10.1021/jo049668c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021286","13.6151","0.0005","8","0.0003","18.7774","0.0007","90","","110.548","0.001","90","","1915.1","0.1","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F4 N4 O6 -","- C19 H15 B F4 N4 O6 -","- C76 H60 B4 F16 N16 O24 -","4","1","","Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta","Novel Synthesis and Oxidizing Ability of Tropylium Ions Annulated with Two 2,4-Dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones","Journal of Organic Chemistry","2004","69","","4732","4740","10.1021/jo049668c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021287","12.9473","0.0004","7.4923","0.0004","16.76","0.001","90","","102.063","0.003","90","","1589.9","0.1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H17 N O Se -","- C18 H17 N O Se -","- C72 H68 N4 O4 Se4 -","4","1","","Yoshiaki Asanuma; Shin-ichi Fujiwara; Tsutomu Shin-ike; Nobuaki Kambe","Selenoimidoylation of Alcohols with Selenium and Isocyanides and Its Application to the Synthesis of Selenium-Containing Heterocycles","Journal of Organic Chemistry","2004","69","","4845","4848","10.1021/jo0496704","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021288","17.7939","0.0014","20.8707","0.0017","20.5047","0.0016","90","","90.178","0.001","90","","7614.8","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C117 H42 N6 Zn -","- C117 H42 N6 Zn -","- C468 H168 N24 Zn4 -","4","1","","Fatma T. Tat; Zhiguo Zhou; Shaun MacMahon; Fayi Song; Arnold L. Rheingold; Luis Echegoyen; David I. Schuster; Stephen R. Wilson","A New Fullerene Complexation Ligand: N-Pyridylfulleropyrrolidine","Journal of Organic Chemistry","2004","69","","4602","4606","10.1021/jo049671w","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021289","7.908","0.004","5.891","0.003","14.029","0.007","90","","95.691","0.008","90","","650.2","0.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C28 H38 N6 -","2","1","","Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro","Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols","Journal of Organic Chemistry","2004","69","","5124","5127","10.1021/jo049677l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021290","9.051","0.003","10.214","0.003","14.481","0.004","90","","90","","90","","1338.8","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C56 H76 N12 -","4","1","","Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro","Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols","Journal of Organic Chemistry","2004","69","","5124","5127","10.1021/jo049677l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021291","8.3392","0.0003","11.6677","0.0004","15.175","0.002","103.712","0.006","99.04","0.01","104.228","0.005","1353.5","0.2","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 N2 -","- C13 H20 N2 -","- C52 H80 N8 -","4","2","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021292","10.673","0.0005","10.9928","0.0007","12.8104","0.0009","90","","90","","90","","1503","0.2","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021293","17.61","0.02","9.93","0.01","8.376","0.009","89","","89","","90","","1463","2","296.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021294","11.7618","0.0007","13.185","0.0008","13.7331","0.0008","92.734","0.003","112.61","0.002","114.056","0.003","1741.7","0.2","296.1","","","","","","","","","","","3","C 1","C 1","1","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"4021295","16.7104","0.0003","6.4424","0.0001","17.8094","0.0004","90","","110.457","0.002","90","","1796.36","0.06","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C80 H104 N8 -","4","2","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021296","35.436","0.003","6.3489","0.0005","15.747","0.001","90","","97.655","0.003","90","","3511.3","0.5","296.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C152 H192 N16 -","8","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021297","11.1094","0.0016","14.2","0.002","11.8055","0.0016","90","","110.927","0.003","90","","1739.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 S2 -","- C17.016 H18 N2 O3 S2.004 -","- C68.064 H72 N8 O12 S8.016 -","4","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021298","12.7667","0.0011","13.2331","0.001","14.2089","0.0011","90","","90","","90","","2400.5","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O6 S2 -","- C22.016 H28 N2 O6 S2.004 -","- C88.064 H112 N8 O24 S8.016 -","4","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021299","10.7577","0.0012","7.8092","0.0009","12.4883","0.0015","90","","104.674","0.003","90","","1014.9","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O4 S2 -","- C18.984 H24 N2 O4 S2 -","- C37.968 H48 N4 O8 S4 -","2","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021300","9.444","0.004","8.678","0.003","15.389","0.006","90","","102.142","0.009","90","","1233","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C44 H56 N4 O12 S4 -","2","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021301","11.1366","0.0012","6.9872","0.0007","15.3869","0.0016","90","","93.796","0.002","90","","1194.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021302","10.78","0.003","14.555","0.004","8.028","0.002","90","","102.417","0.005","90","","1230.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021303","6.6162","0.0006","8.2161","0.0008","21.597","0.002","90","","91.489","0.002","90","","1173.59","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021304","12.3047","0.0018","6.3689","0.0009","13.238","0.002","90","","96.223","0.002","90","","1031.3","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021305","10.803","0.002","11.09","0.002","11.723","0.001","76.48","0.02","79.63","0.01","62.65","0.02","1208.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0702","","","0.1436","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021306","13.6695","0.0008","14.6107","0.0009","22.7212","0.0014","90","","90","","90","","4537.9","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O -","- C15 H13 N O -","- C240 H208 N16 O16 -","16","4","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021307","5.4105","0.0006","9.3372","0.0011","10.7931","0.0013","76.442","0.002","87.201","0.002","82.199","0.002","525.07","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C28 H22 N2 O4 -","2","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021308","18.122","0.003","7.398","0.001","20.076","0.002","90","","111.76","0.01","90","","2499.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0621","","","0.1312","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021309","7.446","0.001","9.579","0.002","10.546","0.001","113.44","0.01","105.85","0.02","99.42","0.02","631.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0451","","","0.1082","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021310","7.9287","0.0007","7.693","0.0007","19.2741","0.0018","90","","96.005","0.002","90","","1169.18","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021311","12.228","0.001","13.924","0.001","14.838","0.002","90","","90","","90","","2526.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0555","","","0.103","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021312","8.73","0.002","8.983","0.003","9.277","0.003","91.259","0.005","113.66","0.004","99.146","0.005","655","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C32 H30 N6 O4 -","2","1","","Gury Zvilichovsky; Isra Gbara-Haj-Yahia","Stereoselectivity and Regioselectivity in Nucleophilic Ring Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine. Unpredicted Dimerization and Ring Transformation. Syntheses of Derivatives of Pyrimidinylmethylamine, Pyrimidinylmethylamino Acid Amides, and α-Amino-2-pyrimidinylacetamides","Journal of Organic Chemistry","2004","69","","4966","4973","10.1021/jo0497196","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021313","10.728","0.002","7.7333","0.0015","16.453","0.003","90","","95.938","0.003","90","","1357.7","0.5","200","1","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Gury Zvilichovsky; Isra Gbara-Haj-Yahia","Stereoselectivity and Regioselectivity in Nucleophilic Ring Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine. Unpredicted Dimerization and Ring Transformation. Syntheses of Derivatives of Pyrimidinylmethylamine, Pyrimidinylmethylamino Acid Amides, and α-Amino-2-pyrimidinylacetamides","Journal of Organic Chemistry","2004","69","","4966","4973","10.1021/jo0497196","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021314","19.9163","0.0008","6.0539","0.0003","40.34","0.002","90","","93.48","0.002","90","","4854.9","0.4","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C224 H256 O32 -","8","1","","Mark Lautens; Tzvetelina Marquardt","Rhodium-Catalyzed Tandem Cyclization: Formation of 1H-Indenes and 1-Alkylideneindans from Arylboronate Esters in Aqueous Media","Journal of Organic Chemistry","2004","69","","4607","4614","10.1021/jo049722p","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021315","14.368","0.002","18.072","0.002","12.858","0.002","90","","105.244","0.009","90","","3221.3","0.7","298.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C42 H40 -","- C42 H35 -","- C168 H140 -","4","1","","Xin Zhou; Zhiping Li; Hui Wang; Masanori Kitamura; Ken-ichiro Kanno; Kiyohiko Nakajima; Tamotsu Takahashi","Novel Synthetic Route to Octasubstituted Naphthalenes from Four Alkynes and One Olefin Unit via Zirconacyclopentadienes and 1,2-Diiodo-3,4,5,6-tetraalkylbenzene","Journal of Organic Chemistry","2004","69","","4559","4562","10.1021/jo0497297","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021316","11.0495","0.001","17.7082","0.0016","34.093","0.003","90","","94.478","0.002","90","","6650.6","1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 F6 N3 O5 -","- C37 H27 F6 N3 O5 -","- C296 H216 F48 N24 O40 -","8","2","","Jeyaraman Sankar; Harapriya Rath; Viswanathan PrabhuRaja; Tavarekere K. Chandrashekar; Jagadese J. Vittal","Syntheses of Core-Modified Corroles by Three Different [3 + 1] Methodologies","Journal of Organic Chemistry","2004","69","","5135","5138","10.1021/jo0497398","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021317","14.164","0.001","14.876","0.002","11.034","0.002","94.555","0.002","98.24","0.007","86.228","0.006","2290.1","0.5","130","","","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 P2 -","- C52 H70 P2 -","- C104 H140 P4 -","2","1","","Shigekazu Ito; Satoshi Sekiguchi; Masaaki Yoshifuji","Formation and Electrochemical Properties of a 1,4-Diphosphafulvene Including Formal Dimerization of Phosphaallene","Journal of Organic Chemistry","2004","69","","4181","4184","10.1021/jo0497407","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021318","9.981","0.002","14.312","0.001","9.137","0.002","95.576","0.008","107.335","0.003","97.55","0.01","1222.4","0.3","120","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H37 O P -","- C27 H41.7 O P -","- C54 H83.4 O2 P2 -","2","1","","Shigekazu Ito; Satoshi Sekiguchi; Masaaki Yoshifuji","Formation and Electrochemical Properties of a 1,4-Diphosphafulvene Including Formal Dimerization of Phosphaallene","Journal of Organic Chemistry","2004","69","","4181","4184","10.1021/jo0497407","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021319","10.9559","0.0001","11.1704","0.0001","11.6369","0.0001","90","","106.512","0.0005","90","","1365.41","0.02","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H47 N O2 Si -","- C28 H47 N O2 Si -","- C56 H94 N2 O4 Si2 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Raquel Pazos; José M. Odriozola; Patricia Bañuelos; Mónica Tello; Anthony Linden","A Practical Total Synthesis of Hapalosin, a 12-Membered Cyclic Depsipeptide with Multidrug Resistance-Reversing Activity, by Employing Improved Segment Coupling and Macrolactonization","Journal of Organic Chemistry","2004","69","","4126","4134","10.1021/jo0497499","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021320","10.8587","0.0006","7.3037","0.0005","15.806","0.0012","90","","94.087","0.002","90","","1250.36","0.15","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H45 N O3 Si -","- C23 H45 N O3 Si -","- C46 H90 N2 O6 Si2 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Raquel Pazos; José M. Odriozola; Patricia Bañuelos; Mónica Tello; Anthony Linden","A Practical Total Synthesis of Hapalosin, a 12-Membered Cyclic Depsipeptide with Multidrug Resistance-Reversing Activity, by Employing Improved Segment Coupling and Macrolactonization","Journal of Organic Chemistry","2004","69","","4126","4134","10.1021/jo0497499","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021321","7.248","0.001","9.71","0.002","16.204","0.003","84.03","0.02","79.12","0.02","81.2","0.01","1103.4","0.3","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 Cl2 N O5 -","- C26 H15 Cl2 N O5 -","- C52 H30 Cl4 N2 O10 -","2","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021322","14.98","0.002","12.115","0.002","24.997","0.004","90","","90","","90","","4536.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cl2 N O4 -","- C26 H17 Cl2 N O4 -","- C208 H136 Cl16 N8 O32 -","8","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021323","10.462","0.002","7.794","0.002","25.62","0.008","90","","94.87","0.02","90","","2081.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N O5 -","- C26 H17 N O5 -","- C104 H68 N4 O20 -","4","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021324","10.9195","0.0014","14.258","0.0018","19.034","0.002","90","","90","","90","","2963.4","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H45 B O4 -","- C32 H45 B O4 -","- C128 H180 B4 O16 -","4","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021325","12.3717","0.0011","7.772","0.0007","32.821","0.003","90","","90","","90","","3155.8","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C136 H192 O24 -","8","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021326","13.6632","0.0013","9.8807","0.0009","22.901","0.002","90","","98.491","0.002","90","","3057.8","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021327","10.0541","0.0008","11.0212","0.0009","11.2992","0.0009","90","","90","","90","","1252.04","0.17","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C52 H52 Br4 O8 -","4","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021328","17.421","0.003","14.72","0.002","20.772","0.004","90","","107.49","0.01","90","","5080.5","1.5","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H26 Cl2 N4 O10 -","- C22 H26 Cl2 N4 O10 -","- C176 H208 Cl16 N32 O80 -","8","2","","Bula Dutta; Pradip Bag; Bibhutosh Adhikary; Ulrich Flörke; Kamalaksha Nag","Efficient Proton-Templated Synthesis of 18- to 38-Membered Tetraimino(amino)diphenol Macrocyclic Ligands: Structural Features and Spectroscopic Properties","Journal of Organic Chemistry","2004","69","","5419","5427","10.1021/jo049787s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021329","7.655","0.005","8.912","0.004","11.204","0.012","94.63","0.09","100.47","0.09","106.95","0.04","711.7","0.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Cl2 N4 O10 -","- C26 H34 Cl2 N4 O10 -","- C26 H34 Cl2 N4 O10 -","1","0.5","","Bula Dutta; Pradip Bag; Bibhutosh Adhikary; Ulrich Flörke; Kamalaksha Nag","Efficient Proton-Templated Synthesis of 18- to 38-Membered Tetraimino(amino)diphenol Macrocyclic Ligands: Structural Features and Spectroscopic Properties","Journal of Organic Chemistry","2004","69","","5419","5427","10.1021/jo049787s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021330","7.0838","0.0004","14.5357","0.0007","16.0758","0.0009","71.249","0.005","78.019","0.005","84.231","0.005","1532.27","0.14","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","2","","Guuske F. Busscher; Stan Groothuys; René de Gelder; Floris P. J. T. Rutjes; Floris L. van Delft","Efficient Preparation of a 1,3-Diazidocyclitol as a Versatile 2-Deoxystreptamine Precursor","Journal of Organic Chemistry","2004","69","","4477","4481","10.1021/jo049788k","","","","","","","0.0608","","","0.0967","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021331","41.943","0.003","7.1885","0.0006","10.2993","0.0008","90","","97.023","0.007","90","","3082","0.4","208","2","208","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C144 H136 N8 O40 -","8","1","","Guuske F. Busscher; Stan Groothuys; René de Gelder; Floris P. J. T. Rutjes; Floris L. van Delft","Efficient Preparation of a 1,3-Diazidocyclitol as a Versatile 2-Deoxystreptamine Precursor","Journal of Organic Chemistry","2004","69","","4477","4481","10.1021/jo049788k","","","","","","","0.0685","","","0.152","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021332","11.7487","0.0007","8.6317","0.0007","17.418","0.0012","90","","92.494","0.006","90","","1764.7","0.2","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 N6 O3 Si -","- C12 H24 N6 O3 Si -","- C48 H96 N24 O12 Si4 -","4","1","","Guuske F. Busscher; Stan Groothuys; René de Gelder; Floris P. J. T. Rutjes; Floris L. van Delft","Efficient Preparation of a 1,3-Diazidocyclitol as a Versatile 2-Deoxystreptamine Precursor","Journal of Organic Chemistry","2004","69","","4477","4481","10.1021/jo049788k","","","","","","","0.083","","","0.174","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021333","10.4392","0.0009","11.2346","0.0009","12.0911","0.001","90","","97.172","0.001","90","","1407","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-(E)-6b","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021334","20.5548","0.0018","15.0763","0.0013","10.1838","0.0009","90","","111.138","0.001","90","","2943.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","syn-(E)-7d","","","- C16 H14 Cl N3 O -","- C16 H14 Cl N3 O -","- C128 H112 Cl8 N24 O8 -","8","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021335","15.7929","0.0014","5.69","0.0005","17.5931","0.0016","90","","110.61","0.001","90","","1479.8","0.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","syn-(Z)-7d","","","- C16 H14 Cl N3 O -","- C16 H14 Cl N3 O -","- C64 H56 Cl4 N12 O4 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021336","4.8338","0.0009","11.587","0.002","25.819","0.005","90","","90","","90","","1446.1","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N3 O -","- C16 H14 Cl N3 O -","- C64 H56 Cl4 N12 O4 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021337","7.6278","0.0007","9.6929","0.0009","13.3975","0.0012","76.206","0.001","76.886","0.001","72.791","0.001","905.77","0.14","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021338","14.113","0.004","9.571","0.003","17.403","0.005","90","","106.192","0.006","90","","2257.4","1.2","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","11","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C108 H108 N12 O8 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021339","20.073","0.003","7.843","0.001","7.27","0.001","90","","90","","90","","1144.6","0.3","123.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H16 B10 -","- C5 H16 B10 -","- C20 H64 B40 -","4","1","","Motonori Tsuji","Most Stable Conformation of the Cyclopropane Ring Attached at a Carbon Atom in a 1,2-Dicarba-closo-dodecaborane(12) System","Journal of Organic Chemistry","2004","69","","4063","4074","10.1021/jo049854i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021340","8.081","0.001","8.226","0.001","14.511","0.002","106.021","0.002","90.749","0.002","114.761","0.002","832.7","0.2","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 B10 O -","- C12 H22 B10 O -","- C24 H44 B20 O2 -","2","1","","Motonori Tsuji","Most Stable Conformation of the Cyclopropane Ring Attached at a Carbon Atom in a 1,2-Dicarba-closo-dodecaborane(12) System","Journal of Organic Chemistry","2004","69","","4063","4074","10.1021/jo049854i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021341","36.105","0.002","9.575","0.0006","24.62","0.002","90","","118.32","0.003","90","","7492.6","0.9","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N4 O8 -","- C42 H44 N4 O8 -","- C336 H352 N32 O64 -","8","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.1912","0.0733","","","0.1092","0.1375","","","","","","1.094","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021342","27.5075","0.0005","7.0079","0.0002","18.2798","0.0004","90","","106.701","0.002","90","","3375.15","0.14","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F6 O3 -","- C18 H18 F6 O3 -","- C144 H144 F48 O24 -","8","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0967","0.0433","","","0.0864","0.1035","","","","","","1.008","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021343","8.6062","0.0001","13.2352","0.0002","17.0519","0.0003","110.104","0.001","94.328","0.001","90.126","0.001","1817.93","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 F6 O3 -","- C18 H20 F6 O3 -","- C72 H80 F24 O12 -","4","2","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0885","0.0478","","","0.1003","0.1132","","","","","","1.099","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021344","6.7177","0.0002","23.6978","0.0006","8.5574","0.0002","90","","96.05","0.002","90","","1354.71","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 F6 O4 -","- C11 H16 F6 O4 -","- C44 H64 F24 O16 -","4","1","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.0747","0.0431","","","0.0968","0.1115","","","","","","1.01","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021345","6.6091","0.0005","14.7078","0.0011","18.1937","0.0015","87.77","0.003","87.23","0.003","87.682","0.003","1763.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 F6 O3 -","- C18 H20 F6 O3 -","- C72 H80 F24 O12 -","4","2","","Scott M. Grayson; Brian K. Long; Shiro Kusomoto; Brian P. Osborn; Ryan P. Callahan; Charles R. Chambers; C. Grant Willson","Synthesis and Characterization of Norbornanediol Isomers and Their Fluorinated Analogues","Journal of Organic Chemistry","2006","71","","341","344","10.1021/jo0513156","","","0.71073","MoKα","","0.3533","0.0983","","","0.1423","0.1925","","","","","","1.134","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021346","15.527","0.002","6.0758","0.0008","20.691","0.003","90","","90","","90","","1952","0.4","193","2","193","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","2","","Fuye Gao; D. Jean Burnell","Reactions of 1,2-Bis(trimethylsilyloxy)cycloalkenes with the Diethyl Acetals of Aldehydes","Journal of Organic Chemistry","2006","71","","356","359","10.1021/jo051683+","","","0.71073","MoKα","","0.1009","0.0903","","","0.2068","0.2233","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021347","9.429","0.0004","11.28","0.0004","11.758","0.0005","93.023","0.002","111.262","0.002","98.409","0.002","1145.3","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4,5-Dimethyl-cyclohexa-1,4-dienylmethyl)-4-methyl- N-(3-phenyl-prop-2-ynyl)-benzenesulfonamide","","- C25 H17 N O2 S -","- C12.5 H13.5 N0.5 O S0.5 -","- C50 H54 N2 O4 S2 -","4","2","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.0714","0.0572","","","0.1639","0.181","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021348","5.5387","0.0003","8.7402","0.0006","22.2973","0.0013","90","","92.618","0.003","90","","1078.27","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-Phenyl-1,3,3a,6-tetrahydro-isobenzofuran","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","1","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.1167","0.0557","","","0.1127","0.146","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021349","16.8738","0.0003","10.5374","0.0003","38.3162","0.0009","90","","102.124","0.001","90","","6660.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl N2 Rh -","- C35 H48 Cl N2 Rh -","- C280 H384 Cl8 N16 Rh8 -","8","2","","Sang Ick Lee; Se Yeoun Park; Ji Hoon Park; Il Gu Jung; Soo Young Choi; Young Keun Chung; Bun Yeoul Lee","Rhodium N-Heterocyclic Carbene-Catalyzed [4 + 2] and [5 + 2] Cycloaddition Reactions","Journal of Organic Chemistry","2006","71","","91","96","10.1021/jo051685u","","","0.71073","MoKα","","0.1314","0.055","","","0.1092","0.1344","","","","","","1.025","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021350","7.9161","0.0007","14.7653","0.0013","14.1615","0.0013","90","","97.593","0.002","90","","1640.7","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[(2S,3S methyl), 2-[2'-benzyloxy-1'R-tert-butyl silyloxyl)ethyl]pentanoyl] borane-10,2-sultam","","- C31 H51 N O5 S Si -","- C31 H51 N O5 S Si -","- C62 H102 N2 O10 S2 Si2 -","2","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0523","0.0469","","","0.1108","0.1149","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021351","18.3556","0.0013","11.4102","0.0008","11.9476","0.0009","90","","90","","90","","2502.3","0.3","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-[(2R,3S methyl),2-[(2'-benzyloxyl-1'S-hydroxyl) ethyl]pentanoyl] borane-10,2-sultam","","- C25 H37 N O5 S -","- C25 H37 N O5 S -","- C100 H148 N4 O20 S4 -","4","1","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0758","0.0584","","","0.1399","0.1514","","","","","","1.049","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021352","11.1859","0.0009","18.5274","0.0015","12.1749","0.001","90","","103.256","0.001","90","","2456","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-[(2R)-2-[2'-benzyloxy-1'R-hydroxy)ethy]pentanoyl]borane-10,2-sultam","","- C24 H35 N O5 S -","- C24 H35 N O5 S -","- C96 H140 N4 O20 S4 -","4","2","","Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran","Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners","Journal of Organic Chemistry","2006","71","","337","340","10.1021/jo0516887","","","0.71073","MoKα","","0.0832","0.0577","","","0.1463","0.1703","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021353","12.9853","0.0009","14.5042","0.0013","23.877","0.0018","91.64","0.01","100.62","0.01","111.35","0.01","4094.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H92 Cl6 D2 O7 -","- C93 H92 Cl6 D2 O7 -","- C186 H184 Cl12 D4 O14 -","2","1","","Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Convergent Synthesis of 10 nm Aryleneethynylene Molecular Wires by an Iterative Regioselective Deprotection/Sonogashira Coupling Protocol","Journal of Organic Chemistry","2006","71","","108","116","10.1021/jo051711o","","","0.71073","MoKα","","0.0885","0.0486","","","0.1163","0.1331","","","","","","0.96","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021354","10.2438","0.0014","18.815","0.003","10.9543","0.0011","90","","108.041","0.007","90","","2007.5","0.5","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 B F4 N3 O2 -","- C23 H18 B F4 N3 O2 -","- C92 H72 B4 F16 N12 O8 -","4","1","","Shin-ichi Naya; Hiroshi Ohtoshi; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of Areno-Annulated 1,3-Dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions","Journal of Organic Chemistry","2006","71","","176","184","10.1021/jo051777j","","","0.71075","MoKα","","","0.0458","","","","0.0618","","","","","","1.471","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021355","9.308","0.004","11.827","0.005","18.955","0.009","90","","104.258","0.017","90","","2022.6","1.5","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 B F4 N3 O2 -","- C23 H18 B F4 N3 O2 -","- C92 H72 B4 F16 N12 O8 -","4","1","","Shin-ichi Naya; Hiroshi Ohtoshi; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of Areno-Annulated 1,3-Dimethyl-10-phenylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions","Journal of Organic Chemistry","2006","71","","176","184","10.1021/jo051777j","","","0.71075","MoKα","","","0.0471","","","","0.0859","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021356","21.577","0.004","7.3939","0.0015","15.952","0.003","90","","90","","90","","2545","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H15 N2 O2 S2 -","- C11 H15 N2 O2 S2 -","- C88 H120 N16 O16 S16 -","8","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.2173","0.0757","","","0.1437","0.1974","","","","","","0.961","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021357","14.071","0.003","10.969","0.002","16.968","0.003","90","","107.87","0.03","90","","2492.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O S2 -","- C12 H12 N2 O S2 -","- C96 H96 N16 O8 S16 -","8","2","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.0702","0.0377","","","0.1019","0.1297","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021358","16.084","0.003","4.545","0.0009","19.622","0.004","90","","97.97","0.03","90","","1420.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O S2 -","- C12 H11 Br N2 O S2 -","- C48 H44 Br4 N8 O4 S8 -","4","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.0684","0.0521","","","0.111","0.1181","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021359","9.4553","0.0019","12.363","0.003","14.484","0.003","90","","93.16","0.03","90","","1690.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Akiyuki Hamasaki; Richard Ducray; Dale L. Boger","Two Novel 1,2,4,5-Tetrazines that Participate in Inverse Electron Demand Diels-Alder Reactions with an Unexpected Regioselectivity","Journal of Organic Chemistry","2006","71","","185","193","10.1021/jo051832o","","","0.71073","MoKα","","0.1162","0.0962","","","0.2263","0.2391","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021360","10.9634","0.0007","11.7048","0.0007","22.9688","0.0014","88.899","0.001","89.097","0.001","82.005","0.001","2918","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","N-(3-tert-butylphenyl)anthranilic acid","N-(3-tert-butylphenyl)anthranilic acid","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0953","0.0577","","","0.1745","0.1964","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021361","10.5769","0.0016","11.4108","0.0017","14.162","0.002","80.856","0.003","82.334","0.003","84.982","0.003","1668.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","anthranilic acid 19","N-[3-(3',5'-dimethylbiphenyl)]anthranilic acid","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","2","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0611","0.04","","","0.097","0.1031","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021362","11.7804","0.0016","7.4503","0.001","26.627","0.003","90","","100.168","0.002","90","","2300.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-2-methylphenylanthranilic acid","N-2-methylphenylanthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0941","0.0483","","","0.1286","0.1409","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021363","7.4585","0.001","7.5891","0.001","13.6653","0.0019","79.998","0.002","85.875","0.002","62.141","0.002","673.42","0.16","183","2","183","2","","","","","","","","4","P -1","-P 1","2","N-2-isopropylphenylanthranilic acid","N-2-isopropylphenylanthranilic acid","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0779","0.0462","","","0.1125","0.1228","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021364","7.4748","0.0012","9.3856","0.0015","11.0319","0.0017","106.582","0.003","91.207","0.003","99.212","0.003","730.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(2-tert-butylphenyl)anthranilic acid","N-(2-tert-butylphenyl)anthranilic acid","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C34 H38 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0626","0.0414","","","0.1002","0.1073","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021365","5.7231","0.0008","17.929","0.002","14.43","0.0019","90","","101.064","0.002","90","","1453.2","0.3","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-2-biphenylanthranilic acid","N-2-biphenylanthranilic acid","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0807","0.0463","","","0.103","0.1127","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021366","4.6299","0.0014","8.332","0.002","15.336","0.004","98.466","0.004","92.198","0.004","101.337","0.004","572.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(3-methylphenyl)anthranilic acid","N-(3-methylphenyl)anthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Xuefeng Mei; Adam T. August; Christian Wolf","Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids: Synthesis and Solid-State Structures of N-Aryl Anthranilic Acid Derivatives","Journal of Organic Chemistry","2006","71","","142","149","10.1021/jo0518809","","","0.71073","MoKα","","0.0518","0.038","","","0.1044","0.1107","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021367","10.0907","0.0002","5.1112","0.0002","17.8226","0.0008","90","","99.626","0.002","90","","906.27","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.0825","0.0553","","","0.1507","0.1692","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021368","10.4776","0.0003","9.7596","0.0003","15.2755","0.0007","90","","100.328","0.001","90","","1536.72","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N3 O3 -","- C14 H21 N3 O3 -","- C56 H84 N12 O12 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.1074","0.0542","","","0.1451","0.175","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021369","31.737","0.002","7.5162","0.0007","8.4847","0.0005","90","","92.053","0.005","90","","2022.7","0.3","298","","298","","","","","","","","Synthesis","3","C 1 c 1","C -2yc","9","","(1R,3aS,4R,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol","","- C22 H26 O7 -","- C22 H26 O7 -","- C88 H104 O28 -","4","1","","Manat Pohmakotr; Attapol Pinsa; Tipwan Mophuang; Patoomratana Tuchinda; Samran Prabpai; Palangpon Kongsaeree; Vichai Reutrakul","General Strategy for Stereoselective Synthesis of 1-Substituted Exo,Endo-2,6-Diaryl-3,7-dioxabicyclo[3.3.0]octanes: Total Synthesis of (±)-Gmelinol","Journal of Organic Chemistry","2006","71","","386","389","10.1021/jo0519110","","x-ray","0.71073","MoKα","","0.0571","0.0506","","","0.1283","0.1347","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021370","24.918","0.0007","11.7246","0.0004","10.9364","0.0003","90","","101.1","0.002","90","","3135.3","0.2","298","","298","","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","(3R,3aS,6R,6aS)-3a-methyl-3,6-diphenyl-tetrahydrofuro[3,4-c]furan-1,4-dione","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Manat Pohmakotr; Attapol Pinsa; Tipwan Mophuang; Patoomratana Tuchinda; Samran Prabpai; Palangpon Kongsaeree; Vichai Reutrakul","General Strategy for Stereoselective Synthesis of 1-Substituted Exo,Endo-2,6-Diaryl-3,7-dioxabicyclo[3.3.0]octanes: Total Synthesis of (±)-Gmelinol","Journal of Organic Chemistry","2006","71","","386","389","10.1021/jo0519110","","x-ray","0.71073","MoKα","","0.0567","0.0439","","","0.1024","0.112","","","","","","1.073","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021371","6.3437","0.0017","6.455","0.0018","10.061","0.003","90","","98.465","0.004","90","","407.52","0.19","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","0.5","","Cheol-Min Park","Concise Synthesis of 3,7-Dioxa-9-aza-bicyclo[3,3,1]-nonane","Journal of Organic Chemistry","2006","71","","413","415","10.1021/jo051982z","","","0.71073","MoKα","","0.0476","0.0445","","","0.1123","0.1145","","","","","","1.118","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021372","8.1482","0.0004","18.4592","0.0008","12.9869","0.0006","90","","90.621","0.001","90","","1953.24","0.16","87","2","87","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C17 H21 Cl N4 Pd, 0.5 (CH2 Cl2)","","","- C17.5 H22 Cl2 N4 Pd -","- C17.5 H22 Cl2 N4 Pd -","- C70 H88 Cl8 N16 Pd4 -","4","1","","Ruihu Wang; Brendan Twamley; Jean'ne M. Shreeve","A Highly Efficient, Recyclable Catalyst for C-C Coupling Reactions in Ionic Liquids: Pyrazolyl-Functionalized N-Heterocyclic Carbene Complex of Palladium(II)","Journal of Organic Chemistry","2006","71","","426","429","10.1021/jo052098b","","","0.71073","MoKα","","0.0302","0.0293","","","0.0628","0.0633","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021373","12.0701","0.0009","13.9385","0.0011","21.0391","0.0016","90","","90","","90","","3539.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B2 F8 N2 O2 -","- C14 H18 B2 F8 N2 O2 -","- C112 H144 B16 F64 N16 O16 -","8","1","","Dong Zhang; Eric J. Dufek; Edward L. Clennan","Syntheses, Characterizations, and Properties of Electronically Perturbed 1,1'-Dimethyl-2,2'-bipyridinium Tetrafluoroborates","Journal of Organic Chemistry","2006","71","","315","319","10.1021/jo052127i","","","0.71073","MoKα","","0.0747","0.0448","","","0.108","0.1233","","","","","","1.068","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021374","8.7605","0.0006","20.4423","0.0013","21.1253","0.0014","90","","91.634","0.002","90","","3781.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H37 N3 O -","- C49 H37 N3 O -","- C196 H148 N12 O4 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1867","0.1262","","","0.3143","0.3473","","","","","","1.183","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021375","25.7376","0.0004","11.1794","0.0002","37.1441","0.0006","90","","90","","90","","10687.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H54 Cl3 N5 O3 -","- C63 H54 Cl3 N5 O3 -","- C504 H432 Cl24 N40 O24 -","8","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1212","0.0846","","","0.2534","0.2739","","","","","","1.105","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021376","16.5804","0.0008","34.0887","0.0017","8.9389","0.0004","90","","99.074","0.002","90","","4989.1","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Cl2 N4 O -","- C62 H48 Cl2 N4 O -","- C248 H192 Cl8 N16 O4 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.201","0.1327","","","0.3006","0.3414","","","","","","1.12","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021377","13.7668","0.0001","27.0773","0.0003","20.0217","0.0002","90","","105.051","0.001","90","","7207.41","0.12","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H70 Cl5 N6 O2 -","- C78.5 H70 Cl5 N6 O2 -","- C314 H280 Cl20 N24 O8 -","4","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1169","0.0943","","","0.2759","0.3001","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021378","15.8732","0.0003","13.5038","0.0003","16.9982","0.0003","90","","99.468","0.002","90","","3593.9","0.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C180 H144 N24 O12 -","12","3","","Pavel Hradil; Martin Grepl; Jan Hlaváč; Miroslav Soural; Michal Maloň; Valerio Bertolasi","Some New Routes for the Preparation of 3-Amino-2-phenyl- 4(1H)-quinolinones from Anthranilamides","Journal of Organic Chemistry","2006","71","","819","822","10.1021/jo051303k","","","0.71073","MoKα","","0.1226","0.0593","","","0.1364","0.1707","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021379","11.5028","0.0007","11.8189","0.0007","17.361","0.001","103.029","0.001","98.366","0.001","112.792","0.001","2047.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,5-di-t-butylphenalenium perfluorotetraphenylborate","","- C45 H25 B F20 -","- C45 H25 B F20 -","- C90 H50 B2 F40 -","2","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.0976","0.0555","","0.1683","0.1371","","","","1.01","1.101","1.101","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021380","15.4353","0.0012","10.5395","0.0007","21.014","0.002","90","","90","","90","","3418.6","0.4","123","2","123","2","","","","","","","synthesis","2","P b c n","-P 2n 2ab","60","","2,5-ditertbutylphenalene""","","- C21 H26 -","- C21 H25 -","- C168 H200 -","8","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.1115","0.0734","","0.2253","0.1872","","","","1.003","1.061","1.061","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021381","14.6171","0.001","15.4337","0.0012","17.8177","0.0014","90","","92.162","0.002","90","","4016.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DBPhen B(C6F5)4","1,5-Di-tert-butyl-phenalenyl tetrakis(pentafluorophenyl)borate","","- C45 H25 B F20 -","- C45 H25 B F20 -","- C180 H100 B4 F80 -","4","1","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.1507","0.0519","","","0.0924","0.1212","","","","","","0.857","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021382","11.9777","0.0009","15.4966","0.0012","11.5901","0.0009","90","","113.023","0.002","90","","1979.9","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-bis(3,8-di-t-butylphenalen-1-ylidene)etane","","- C46 H54 Cl4 -","- C45.72 H53.44 Cl3.44 -","- C91.44 H106.88 Cl6.88 -","2","0.5","","V. Zaitsev; S. V. Rosokha; M. Head-Gordon; J. K. Kochi","Steric Modulations in the Reversible Dimerizations of Phenalenyl Radicals via Unusually Weak Carbon-Centered π- and σ-Bonds","Journal of Organic Chemistry","2006","71","","520","526","10.1021/jo051612a","","","0.71073","MoKα","","0.2162","0.0879","","0.2747","0.1949","","","","1.017","1.183","1.183","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021383","32.809","0.01","9.945","0.003","8.492","0.003","90","","104.72","0.006","90","","2679.9","1.4","88","2","88","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C52 H78 O11 -","- C52 H78 O11 -","- C104 H156 O22 -","2","0.5","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0907","0.0618","","","0.1501","0.1611","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021384","34.413","0.005","8.5331","0.0012","10.0467","0.0015","90","","90.13","0.02","90","","2950.2","0.8","87","2","87","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H41 Br O4 -","- C33 H41 Br O4 -","- C132 H164 Br4 O16 -","4","2","","Maya I. Mitova; Gerhard Lang; John W. Blunt; Nicholas J. Cummings; Anthony L. J. Cole; Ward T. Robinson; Murray H. G. Munro","Cladobotric Acids A-F: New Cytotoxic Polyketides from a New Zealand Cladobotryum sp.","Journal of Organic Chemistry","2006","71","","492","497","10.1021/jo051883l","","","0.71073","MoKα","","0.0925","0.0861","","","0.2279","0.2331","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021385","16.1127","0.0006","9.9911","0.0006","25.7335","0.0011","90","","96.862","0.003","90","","4113","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 O6 -","- C47 H62 O6 -","- C188 H248 O24 -","4","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1165","0.0677","","","0.1656","0.2003","","","","","","0.996","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021386","13.5059","0.0005","20.4824","0.0007","20.9212","0.0009","61.89","0.002","87.258","0.002","89.082","0.002","5098.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H69 Cl3 O7.5 -","- C49.5 H66.5 Cl3 O7.5 -","- C198 H266 Cl12 O30 -","4","2","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1165","0.0907","","","0.2398","0.2598","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021387","6.0627","0.0007","11.5013","0.0011","15.322","0.002","89.214","0.007","81.669","0.006","79.155","0.007","1038.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O6 -","- C48 H64 O6 -","- C48 H64 O6 -","1","0.5","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.0948","0.0676","","","0.1622","0.1808","","","","","","1.048","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021388","9.7267","0.0017","21.884","0.004","19.784","0.003","90","","93.65","0.009","90","","4202.7","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 O6 -","- C48 H64 O6 -","- C192 H256 O24 -","4","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.2014","0.0847","","","0.1692","0.2234","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021389","30.6685","0.0018","14.3273","0.0005","23.3049","0.0013","90","","117.988","0.003","90","","9042.5","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H68 O6 -","- C50 H68 O6 -","- C400 H544 O48 -","8","1","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.0819","0.0543","","","0.1557","0.1735","","","","","","1.019","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021390","13.5929","0.0012","9.3211","0.0007","17.7157","0.0011","90","","106.728","0.005","90","","2149.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H66 O6 -","- C49 H65 O6 -","- C98 H130 O12 -","2","0.5","","Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry","Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions","Journal of Organic Chemistry","2006","71","","504","511","10.1021/jo051922t","","","0.71073","MoKα","","0.1285","0.0928","","","0.2114","0.2354","","","","","","0.991","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021391","12.3588","0.0013","14.3481","0.0016","7.4226","0.0008","90","","90","","90","","1316.2","0.2","90","2","90","2","","","","","","","","2","P n a 21","P 2c -2n","33","2'-methyl-p-terphenyl","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0943","0.0658","","","0.1658","0.1879","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021392","19.959","0.003","9.1373","0.0002","12.091","0.002","90","","110.024","0.009","90","","2071.8","0.5","91","2","91","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 14","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C96 H100 N4 O12 S4 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0399","0.0369","","","0.0935","0.0957","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021393","13.5041","0.0017","6.7097","0.0007","14.271","0.004","90","","109.973","0.014","90","","1215.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 2,6-dimethylcyclohexanone-2,6-bis(diazeniumdiolate), Compound 15b","","- C8 H12 K2 N4 O5 -","- C8 H12 K2 N4 O5 -","- C32 H48 K8 N16 O20 -","4","1","","Navamoney Arulsamy; D. Scott Bohle","Synthesis of Diazeniumdiolates from the Reactions of Nitric Oxide with Enolates","Journal of Organic Chemistry","2006","71","","572","581","10.1021/jo051998p","","","0.71073","MoKα","","0.0404","0.0335","","","0.0896","0.0958","","","","","","1.078","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021394","9.906","0.007","13.089","0.009","13.69","0.009","102.783","0.014","92.301","0.014","97.012","0.014","1714","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","2","","Scott E. Denmark; Ramil Y. Baiazitov","Tandem Double-Intramolecular [4+2]/[3+2] Cycloadditions of Nitroalkenes. Studies toward a Total Synthesis of Daphnilactone B: Piperidine Ring Construction","Journal of Organic Chemistry","2006","71","","593","605","10.1021/jo052001l","","","0.71073","MoKα","","0.1292","0.0566","","","0.1314","0.157","","","","","","0.921","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021395","13.878","0.003","5.461","0.003","21.321","0.002","90","","94.71","0.01","90","","1610.6","0.8","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Shin-ya Tanaka; Makoto Yasuda; Akio Baba","Practical and Simple Synthesis of Substituted Quinolines by an HCl-DMSO System on a Large Scale: Remarkable Effect of the Chloride Ion","Journal of Organic Chemistry","2006","71","","800","803","10.1021/jo052004y","","","0.7107","MoKα","","","0.0537","","","","0.2393","","","","","","1.542","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021396","13.787","0.0004","13.787","0.0004","41.256","0.0012","90","","90","","90","","7842","0.4","296.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","(R)-1-phenylethylammonium_(Sp)-O-ethyl phenylphosphonothioate_water","","","- C16 H24 N O3 P S -","- C16 H22 N O3 P S -","- C256 H352 N16 O48 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.049","","","","0.06","","","","","","0.827","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021397","6.441","0.0004","17.186","0.0013","18.27","0.002","90","","90","","90","","2022.4","0.3","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-ethylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.054","","","","0.06","","","","","","0.948","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021398","6.276","0.0013","13.692","0.003","23.935","0.009","90","","90","","90","","2056.8","1","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-isopropylphenyl)ethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C19 H28 N O2 P S -","- C20 H30 N O2 P S -","- C80 H120 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.058","","","","0.094","","","","","","0.836","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021399","6.34","","17.728","","18.437","","90","","90","","90","","2072.24","","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-npronylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C22 H28 N O2 P S -","- C19 H28 N O2 P S -","- C76 H112 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.059","","","","0.089","","","","","","0.875","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021400","12.567","0.0012","6.515","0.0005","12.509","0.002","90","","111.143","0.004","90","","955.2","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-(o-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C17 H24 N O3 P S -","- C17 H24 N O3 P S -","- C34 H48 N2 O6 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.049","","","","0.071","","","","","","0.679","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021401","6.771","0.0002","14.155","0.0006","20.307","0.0012","90","","90","","90","","1946.3","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-Naphthylethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C20 H24 N O2 P S -","- C20 H24 N O2 P S -","- C80 H96 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.05","","","","0.073","","","","","","0.71","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021402","7.517","0.0003","12.015","0.0007","21.89","0.002","90","","90","","90","","1977","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-1-phenyl-2-methyl-propylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.057","","","","0.078","","","","","","0.763","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021403","6.577","0.0005","14.56","0.0012","16.131","0.002","90","","90","","90","","1544.7","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-sec-butylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C12 H22 N O2 P S -","- C12 H22 N O2 P S -","- C48 H88 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.057","","","","0.083","","","","","","0.788","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021404","6.326","0.0005","15.311","0.002","24.416","0.003","90","","90","","90","","2364.9","0.4","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Rp)-O-ethyl phenylphosphonothioic acid & (1S,2R)-1-amino-1,2-diphenylethanol(ADPE)&H2O","","","- C22 H28 N O4 P S -","- C22 H28 N O4 P S -","- C88 H112 N4 O16 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.049","","","","0.054","","","","","","0.864","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021405","14.149","0.0008","14.149","0.0008","40.65","0.002","90","","90","","90","","8137.9","0.8","296.1","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(S)-1-(p-tolyl)ethylammonium_(Rp)-O-propyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H24.5 N O2 P S -","- C288 H392 N16 O32 P16 S16 -","16","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.053","","","","0.064","","","","","","1.192","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021406","14.562","0.004","6.387","0.001","21.495","0.009","90","","100.58","0.001","90","","1965.2","1.1","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-1-phenylethylammonium_(Rp)-O-phenyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C80 H88 N4 O8 P4 S4 -","4","2","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.044","","","","0.048","","","","","","0.506","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021407","12.819","0.0013","6.417","0.0006","14.091","0.002","90","","112","0","90","","1074.7","0.2","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-1-phenylethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C20 H22 N O2 P S -","- C20 H22 N O2 P S -","- C40 H44 N2 O4 P2 S2 -","2","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoKα","","","0.091","","","","0.122","","","","","","1.193","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021408","12.6406","0.0009","4.1678","0.0003","19.9399","0.0014","90","","98.164","0.001","90","","1039.86","0.13","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 O2 S -","- C3 H6 O2 S -","- C24 H48 O16 S8 -","8","2","","Mauricio F. Erben; Roland Boese; Carlos O. Della Védova; Heinz Oberhammer; Helge Willner","Toward an Intimate Understanding of the Structural Properties and Conformational Preference of Oxoesters and Thioesters: Gas and Crystal Structure and Conformational Analysis of Dimethyl Monothiocarbonate, CH~3~OC(O)SCH~3~","Journal of Organic Chemistry","2006","71","","616","622","10.1021/jo052026k","","","0.71073","MoKα","","0.0307","0.0265","","","0.0802","0.0841","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021409","8.006","0.0005","11.195","0.0008","13.082","0.0011","90","","100.242","0.003","90","","1153.82","0.15","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C22 H27 Br N2 O5 -","- C22 H27 Br N2 O5 -","- C44 H54 Br2 N4 O10 -","2","1","","Shoko Yamazaki; Yuko Iwata","Catalytic Enantioselective Friedel-Crafts/Michael Addition Reactions of Indoles to Ethenetricarboxylates","Journal of Organic Chemistry","2006","71","","739","743","10.1021/jo052041p","","","0.71073","MoKα","","0.0542","0.0478","","","0.1279","0.1351","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021410","13.246","0.008","14.373","0.008","22.504","0.01","74.127","0.018","82.513","0.016","87.621","0.019","4086","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxaphosphetane","","","- C19 H11 F12 O2 P -","- C19 H11 F12 O2 P -","- C152 H88 F96 O16 P8 -","8","4","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.082","0.0642","","","0.1377","0.1489","","","","","","1.069","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021411","10.691","0.003","12.257","0.004","19.324","0.007","102.894","0.006","90.004","0.005","91.278","0.005","2467.7","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1,2-oxastibetane","","","- C23 H19 F12 O2 Sb -","- C23 H19 F12 O2 Sb -","- C92 H76 F48 O8 Sb4 -","4","2","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.0619","0.0414","","","0.0623","0.0672","","","","","","1.097","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021412","18.148","0.003","9.7367","0.0015","36.418","0.007","90","","98.6","0.008","90","","6362.6","1.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-phenyl-1,2-oxastibetane","","","- C34 H28 F9 O2 Sb -","- C34 H28 F9 O2 Sb -","- C272 H224 F72 O16 Sb8 -","8","1","","Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima","Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","659","670","10.1021/jo0520700","","","0.7107","MoKα","","0.1016","0.096","","","0.1779","0.1799","","","","","","1.427","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021413","7.215","0.001","11.234","0.001","14.473","0.001","84.09","0.01","88.61","0.01","87.87","0.01","1165.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","biphenyl","3-methylsulfanyl-biphenyl-4-carboxylic acid","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","2","","Atul Goel; Deepti Verma; Manish Dixit; Resmi Raghunandan; P. R. Maulik","Acetyltrimethylsilane: A Novel Reagent for the Transformation of 2H-Pyran-2-ones to Unsymmetrical Biaryls","Journal of Organic Chemistry","2006","71","","804","807","10.1021/jo052085y","","","0.71073","MoKα","","0.0707","0.0455","","","0.1063","0.1217","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021414","22.661","0.004","14.466","0.0018","13.077","0.006","90","","102.33","0.03","90","","4188","2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C192 H176 N32 O24 -","8","2","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","0.71073","MoKα","","0.1395","0.0639","","","0.1266","0.1492","","","","","","0.942","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021415","8.7976","0.0012","18.011","0.006","15.68","0.004","90","","104.74","0.02","90","","2402.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O3 -","- C29 H24 N4 O3 -","- C116 H96 N16 O12 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","1.54178","CuKα","","0.0772","0.0601","","","0.1675","0.1806","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021416","9.5783","0.0009","25.749","0.003","16.5586","0.0017","90","","96.163","0.008","90","","4060.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 N4 O6 -","- C40 H60 N4 O6 -","- C160 H240 N16 O24 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Chromogenic Oxazines for Cyanide Detection","Journal of Organic Chemistry","2006","71","","744","753","10.1021/jo052096r","","","1.54248","CuKα","","0.1506","0.1029","","","0.1589","0.1791","","","","","","1.282","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021417","7.7629","0.0016","8.5948","0.0017","21.728","0.004","81.54","0.03","85.9","0.03","73.88","0.03","1376.8","0.5","293","2","293","2","","","","","","","synthetic","5","P -1","-P 1","2","[1,5]benzothiazepine-derived beta-lactam derivative","[1,5]benzothiazepine-derived beta-lactam derivative","","- C32 H27 N O3 S2 -","- C32 H27 N O3 S2 -","- C64 H54 N2 O6 S4 -","2","1","","Lei Jiao; Qianfeng Zhang; Yong Liang; Shiwei Zhang; Jiaxi Xu","A Versatile Method for the Synthesis of 3-Alkoxycarbonyl β-Lactam Derivatives","Journal of Organic Chemistry","2006","71","","815","818","10.1021/jo052135z","","x-ray","0.71073","MoKα","","0.0645","0.0415","","","0.1022","0.1116","","","","","","0.971","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4021418","11.3847","0.0013","12.0263","0.0013","19.227","0.002","90","","97.452","0.002","90","","2610.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cr O7 S4 -","- C21 H20 Cr O7 S4 -","- C84 H80 Cr4 O28 S16 -","4","1","","Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba","Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones","Journal of Organic Chemistry","2006","71","","808","810","10.1021/jo052168e","","","0.71073","MoKα","","0.0566","0.0425","","","0.1202","0.1322","","","","","","1.145","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021419","10.1366","0.0007","13.4877","0.0009","13.652","0.001","104.656","0.001","90.456","0.001","102.913","0.001","1756","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S5 -","- C16 H13 N O2 S5 -","- C64 H52 N4 O8 S20 -","4","2","","Alejandro M. Granados; Jeronimo Kreiker; Rita H. de Rossi; Pedro Fuertes; Tomás Torroba","Synthesis of 1,3-Dithiin Dithioortho Esters from the Reaction of Fischer Carbenes and 3H-1,2-Dithiole-3-thiones","Journal of Organic Chemistry","2006","71","","808","810","10.1021/jo052168e","","","0.71073","MoKα","","0.0531","0.0414","","","0.1109","0.1271","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021420","10.4497","0.0015","12.7182","0.0018","15.18","0.002","66.129","0.002","84.317","0.002","74.029","0.002","1773.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N4 O2 -","- C48 H36 N4 O2 -","- C96 H72 N8 O4 -","2","1","","Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler","Facile Peripheral Modification of N-Confused Porphyrin","Journal of Organic Chemistry","2006","71","","811","814","10.1021/jo052188g","","","0.71073","MoKα","","0.0733","0.0565","","","0.1658","0.175","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021421","13.029","0.004","13.734","0.004","13.913","0.004","77.699","0.004","79.722","0.004","67.39","0.004","2232.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H55 Co N5 O2 -","- C53 H39 Co N5 O2 -","- C106 H78 Co2 N10 O4 -","2","1","","Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler","Facile Peripheral Modification of N-Confused Porphyrin","Journal of Organic Chemistry","2006","71","","811","814","10.1021/jo052188g","","","0.71073","MoKα","","0.1643","0.0988","","","0.2454","0.2793","","","","","","0.964","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021422","12.825","0.004","13.091","0.004","20.892","0.005","106.189","0.009","102.618","0.009","93.606","0.008","3258.3","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C65.4 H76.1 N10.7 O12 -","- C65.4 H76.1 N10.7 O12 -","- C130.8 H152.2 N21.4 O24 -","2","1","","Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan","N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains","Journal of Organic Chemistry","2006","71","","775","788","10.1021/jo052277t","","","0.71073","MoKα","","0.2421","0.1353","","","0.3417","0.3923","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021423","9.055","0.005","12.712","0.005","16.439","0.005","84.358","0.005","85.019","0.005","89.982","0.005","1875.9","1.4","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Cl3 N4 O6 -","- C39 H38 Cl3 N4 O6 -","- C78 H76 Cl6 N8 O12 -","2","1","","Marc Sauer; Charles Yeung; Jonathan H. Chong; Brian O. Patrick; Mark J. MacLachlan","N-Salicylideneanilines: Tautomers for Formation of Hydrogen-Bonded Capsules, Clefts, and Chains","Journal of Organic Chemistry","2006","71","","775","788","10.1021/jo052277t","","","0.71069","MoKα","","0.0806","0.0522","","","0.1257","0.1409","","","","","","1.033","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021424","6.1725","0.0007","8.6279","0.0017","18.2294","0.0022","90","","95.813","0.009","90","","965.83","0.25","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C40 H38 N6 O12 -","2","1","","Shun-Yuan Luo; Suvarn S. Kulkarni; Chien-Hung Chou; Wei-Meen Liao; Shang-Cheng Hung","A Concise Synthesis of Tetrahydroxy-LCB, α-Galactosyl Ceramide, and 1,4-Dideoxy-1,4-imino-L-ribitol via D-Allosamines as Key Building Blocks","Journal of Organic Chemistry","2006","71","","1226","1229","10.1021/jo051518u","","","0.7093","MolybdenumKα","","0.076","0.034","","0.038","0.034","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021425","6.5285","0.0008","10.708","0.0014","16.894","0.002","101.409","0.002","100.481","0.002","94.819","0.002","1129.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 O2 Si -","- C25 H38 O2 Si -","- C50 H76 O4 Si2 -","2","1","","Howard E. Zimmerman; Jie Cheng","Control of Stereoselective Protonation of Enols","Journal of Organic Chemistry","2006","71","","873","882","10.1021/jo051611i","","","0.71073","MoKα","","0.0559","0.0459","","","0.1202","0.1328","","","","","","1.037","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021426","8.5613","0.0002","15.6149","0.0004","12.0541","0.0003","90","","92.2023","0.0015","90","","1610.25","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","Dibutyl[5,10-dihydro-1,9-bis(phenylsulfonyl)-5-phenyldipyrrinato]tin(IV)","","- C35 H38 N2 O4 S2 Sn -","- C35 H38 N2 O4 S2 Sn -","- C70 H76 N4 O8 S4 Sn2 -","2","1","","Patchanita Thamyongkit; Anil D. Bhise; Masahiko Taniguchi; Jonathan S. Lindsey","Alkylthio Unit as an α-Pyrrole Protecting Group for Use in Dipyrromethane Synthesis","Journal of Organic Chemistry","2006","71","","903","910","10.1021/jo051806q","","","0.71073","MolybdenumKα","","0.039","0.03","","0.034","0.025","","","","","1.03","1.03","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021427","18.6014","0.0008","19.2511","0.0009","10.3718","0.0005","90","","90","","90","","3714.1","0.3","273","2","273","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C43 H53 O6 -","- C43 H53 O6 -","- C172 H212 O24 -","4","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.075","0.0627","","","0.1724","0.1911","","","","","","1.022","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021428","12.5115","0.0011","14.6376","0.0012","24.26","0.002","89.413","0.002","80.832","0.002","87.561","0.002","4382.1","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H63 Ag7 Cl3 F21 O20 -","- C79 H63 Ag7 Cl3 F21 O20 -","- C158 H126 Ag14 Cl6 F42 O40 -","2","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.1658","0.0616","","","0.1345","0.1821","","","","","","0.915","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021429","19.45","0.006","25.18","0.008","20.114","0.006","90","","100.102","0.007","90","","9698","5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H92 Ag6 F18 O24 -","- C92 H92 Ag6 F18 O24 -","- C368 H368 Ag24 F72 O96 -","4","1","","Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang","Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation","Journal of Organic Chemistry","2006","71","","940","946","10.1021/jo051896z","","","0.71073","MoKα","","0.1134","0.0538","","","0.1377","0.168","","","","","","1.018","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021430","8.268","0.001","22.444","0.003","9.7559","0.0006","89.994","0.004","99.071","0.005","90.032","0.002","1787.7","0.3","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N2 O8 -","- C36 H50 N2 O8 -","- C72 H100 N4 O16 -","2","1","","Tsutomu Inokuchi; Hiroyuki Kawafuchi","E- or Z-Selective Knoevenagel Condensation of Acetoacetic Derivatives: Effect of Acylated Substituent, that is, TEMPO and Amines, as an Auxiliary, and New Accesses to Trisubstituted E- and Z-2-Alkenals and Furans","Journal of Organic Chemistry","2006","71","","947","953","10.1021/jo051952w","","","0.7107","MoKα","","","0.0895","","","","0.2663","","","","","","4.331","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021431","25.122","0.003","12.103","0.002","33.724","0.005","90","","102.191","0.004","90","","10023","3","110","","110","","","","","","","","local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H67 Cl15 N12 O13 -","- C105 H60 Cl15 N12 O13 -","- C420 H240 Cl60 N48 O52 -","4","1","","Erhong Hao; Frank R. Fronczek; M. Graça H. Vicente","Synthesis of Oxacalixarene-Locked Bisporphyrins and Higher Oligomers","Journal of Organic Chemistry","2006","71","","1233","1236","10.1021/jo051964h","","","0.71073","MoKα","","0.177","0.135","","","0.359","0.378","","","","","","2.544","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021432","13.334","0.007","16.27","0.008","26.055","0.013","99.242","0.009","99.572","0.009","99.647","0.009","5391","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H121 Cl12 N13 O14 P4 -","- C70 H121 Cl12 N13 O14 P4 -","- C140 H242 Cl24 N26 O28 P8 -","2","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.2299","0.0926","","","0.2381","0.2981","","","","","","0.913","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021433","13.6582","0.0012","10.5579","0.0009","20.5262","0.0018","90","","93.168","0.001","90","","2955.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 N6 O4 P2 -","- C22 H48 N6 O4 P2 -","- C88 H192 N24 O16 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0433","0.0379","","","0.104","0.1104","","","","","","1.027","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021434","18.2506","0.0018","9.7929","0.0016","18.982","0.002","90","","109.54","0.04","90","","3197.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Cl F3 N5 O5 P2 -","- C22 H45 Cl F3 N5 O5 P2 -","- C88 H180 Cl4 F12 N20 O20 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0677","0.0475","","","0.1361","0.1525","","","","","","1.04","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021435","9.636","0.002","16.662","0.004","26.283","0.002","90","","90","","90","","4220","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 Cl5 N5 O6 P2 -","- C32 H50 Cl5 N5 O6 P2 -","- C128 H200 Cl20 N20 O24 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0526","0.0415","","","0.1094","0.1337","","","","","","1.073","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021436","15.035","0.003","15.151","0.003","19.568","0.004","107.692","0.003","107.43","0.003","94.971","0.003","3973.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H116 N12 O12 P4 -","- C62 H116 N12 O12 P4 -","- C124 H232 N24 O24 P8 -","2","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0867","0.0586","","","0.1748","0.1966","","","","","","1.01","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021437","6.985","0.007","23","0.02","9.252","0.009","90","","108.404","0.014","90","","1411","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0809","0.0435","","","0.0835","0.0912","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021438","6.1683","0.0009","8.3056","0.0012","12.5311","0.0017","88.535","0.002","78.534","0.002","87.202","0.002","628.34","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Br N2 O -","- C15 H9 Br N2 O -","- C30 H18 Br2 N4 O2 -","2","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.041","0.0375","","","0.0932","0.0943","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021439","9.1772","0.001","39.584","0.004","7.1107","0.0008","90","","92.663","0.002","90","","2580.3","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H19 Br Cl3 N3 O4 -","- C26 H19 Br Cl3 N3 O4 -","- C104 H76 Br4 Cl12 N12 O16 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0341","0.0315","","","0.074","0.0751","","","","","","1.036","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021440","15.625","0.013","11.062","0.009","10.915","0.009","90","","96.137","0.013","90","","1876","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br N3 -","- C23 H18 Br N3 -","- C92 H72 Br4 N12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.1683","0.0825","","","0.1567","0.1858","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021441","17.428","0.002","5.5538","0.0007","19.492","0.003","90","","90","","90","","1886.6","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H16 Br N3 O2 -","- C23 H16 Br N3 O2 -","- C92 H64 Br4 N12 O8 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.043","0.0372","","","0.0844","0.0878","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021442","15.4467","0.0018","11.1272","0.0013","10.5033","0.0013","90","","94.085","0.002","90","","1800.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N3 -","- C22 H15 Br N3 -","- C88 H60 Br4 N12 -","4","1","","Ibrahim Eryazici; Charles N. Moorefield; Semih Durmus; George R. Newkome","Synthesis and Single-Crystal X-ray Characterization of 4,4' '-Functionalized 4'-(4-Bromophenyl)-2,2':6',2' '-terpyridines","Journal of Organic Chemistry","2006","71","","1009","1014","10.1021/jo052036l","","","0.71073","MoKα","","0.0571","0.0399","","","0.0953","0.1027","","","","","","1.035","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021443","18.873","0.002","12.336","0.001","6.7665","0.0007","90","","90","","90","","1575.4","0.3","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","8-styrylfluoranthrene","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0405","0.0367","","","0.0901","0.0925","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021444","10.822","0.002","15.188","0.002","10.316","0.002","90","","110.95","0.03","90","","1583.6","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0926","0.0442","","","0.0852","0.0962","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021445","8.09","0.001","15.095","0.002","26.844","0.004","90","","90","","90","","3278.2","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-pyren-1-yl-vinyl)benzonitrile","","- C25 H15 N -","- C25 H15 N -","- C200 H120 N8 -","8","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0666","0.0457","","","0.1058","0.1163","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021446","20.673","0.002","10.939","0.001","7.5738","0.0008","90","","90","","90","","1712.8","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","p-nitrostyrylpyrene","1-[2-(4-nitrophenyl)vinyl]pyrene","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0541","0.0408","","","0.0931","0.0995","","","","","","1.041","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021447","9.594","0.003","18.68","0.006","19.237","0.006","117.294","0.004","100.954","0.004","93.956","0.004","2959.2","1.6","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","Cis-1,2-bis(azulen-2-yl)ethene","","- C22 H16 -","- C22 H16 -","- C176 H128 -","8","4","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.1641","0.0778","","","0.1697","0.2097","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021448","11.079","0.001","11.079","0.002","9.666","0.001","90","","90","","120","","1027.5","0.2","293","2","293","2","","","","","","","synthesised by authors","5","P 32","P 32","145","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C39 H51 N3 O6 S3 -","3","1","","Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg","Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors","Journal of Organic Chemistry","2006","71","","1265","1268","10.1021/jo0521504","","","0.71073","MoKα","","0.1477","0.0974","","","0.1631","0.1995","","","","","","0.781","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021449","11.08","0.002","11.08","0.001","9.6707","0.0011","90","","90","","120","","1028.2","0.2","293","1","","","","","","","","","synthesised by authors","5","P 31","P 31","144","","3-t-Butylsulfinamyl-1-indanone","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C39 H51 N3 O6 S3 -","3","1","","Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg","Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors","Journal of Organic Chemistry","2006","71","","1265","1268","10.1021/jo0521504","","","0.71073","MoKα","","0.1411","0.0961","","","0.1897","0.2158","","","","","","1.067","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021450","10.601","0.004","26.402","0.009","15.586","0.006","90","","93.145","0.006","90","","4356","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H127 N2 O53.5 -","- C62 H94 N2 O53.5 -","- C124 H188 N4 O107 -","2","1","","Zhi Fan; Chun-Hua Diao; Hai-Bin Song; Zuo-Liang Jing; Ming Yu; Xin Chen; Min-Jie Guo","Encapsulation of Quinine by β-Cyclodextrin: Excellent Model for Mimicking Enzyme-Substrate Interactions","Journal of Organic Chemistry","2006","71","","1244","1246","10.1021/jo052183j","","","0.71073","MoKα","","0.116","0.0715","","","0.1745","0.2075","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021451","15.6855","0.0014","8.4155","0.0008","14.3404","0.0013","90","","93.234","0.002","90","","1889.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cl2 N3 O4 -","- C21 H13 Cl2 N3 O4 -","- C84 H52 Cl8 N12 O16 -","4","1","","Lei Zhao; Fushun Liang; Xihe Bi; Shaoguang Sun; Qun Liu","Efficient Synthesis of Highly Functionalized Dihydropyrido[2,3-d]pyrimidines by a Double Annulation Strategy from α-Alkenoyl-α-carbamoyl Ketene-(S,S)-acetals","Journal of Organic Chemistry","2006","71","","1094","1098","10.1021/jo0522106","","","0.71073","MoKα","","0.0698","0.051","","","0.1352","0.1499","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021452","14.02","0.005","15.153","0.005","16.128","0.006","110.655","0.006","92.14","0.006","104.819","0.006","3068.5","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.5 H72 N8 O10.5 -","- C64.5 H72 N8 O10.5 -","- C129 H144 N16 O21 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.1756","0.0742","","","0.206","0.2777","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021453","15.446","0.003","18.167","0.004","21.565","0.004","81.08","0.03","82.77","0.03","82.46","0.03","5892","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H118 N16 O20 -","- C118 H118 N16 O20 -","- C236 H236 N32 O40 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.3453","0.1259","","","0.2667","0.332","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021454","19.598","0.004","15.696","0.003","24.508","0.005","90","","100.17","0.03","90","","7421","3","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C154 H178 N20 O28 -","- C154 H178 N20 O28 -","- C308 H356 N40 O56 -","2","0.5","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.3212","0.1859","","","0.4474","0.4905","","","","","","1.092","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021455","14.224","0.003","15.299","0.004","17.295","0.004","97.973","0.004","104.545","0.004","117.658","0.004","3080.1","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H68 N9 O9.25 -","- C63.25 H67 N9 O9.25 -","- C126.5 H134 N18 O18.5 -","2","1","","Zhi-Qiang Hu; Hai-Yu Hu; Chuan-Feng Chen","Phenanthroline Dicarboxamide-Based Helical Foldamers: Stable Helical Structures in Methanol","Journal of Organic Chemistry","2006","71","","1131","1138","10.1021/jo052222r","","","0.71073","MoKα","","0.2184","0.0949","","","0.2372","0.315","","","","","","1.022","","","","has coordinates,has disorder","178392","2020-10-21","18:00:00",""
"4021456","7.2","0.0011","8.009","0.0016","11.122","0.0019","88.642","0.007","100.505","0.01","105.62","0.012","607.09","0.18","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 5R*)-7,7-diethylnyl-5-hydroxymethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0515","0.0485","","","0.129","0.1378","","","","","","1.025","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021457","7.686","0.003","7.823","0.002","12.384","0.002","108.9","0.014","89.388","0.016","108.722","0.013","663.6","0.3","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 5R*, 7S*)-7-ethyl-5-hydroxymethyl-7-vinyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H14 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.1063","0.1026","","","0.2394","0.2417","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021458","8.931","0.0012","14.491","0.003","12.03","0.0013","90","","128.818","0.007","90","","1213.1","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*, 5R*)-7,7-divinyl-5-hydroxymethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0607","0.0521","","","0.1296","0.1362","","","","","","1.085","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021459","8.085","0.0004","7.474","0.0003","21.798","0.0011","90","","91.113","0.003","90","","1316.95","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R*, 5R*)-7,7-diethylnyl-5-iodomethyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H13 I O3 -","- C13 H13 I O3 -","- C52 H52 I4 O12 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.088","0.077","","","0.2018","0.216","","","","","","1.08","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021460","8.422","0.002","12.714","0.002","13.419","0.004","90","","100.566","0.015","90","","1412.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*, 5R*, 7S*)-7-ethyl-5-iodomethyl-7-vinyl-6- oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C52 H76 I4 O12 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0563","0.0472","","","0.1218","0.1286","","","","","","0.989","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021461","7.639","0.0004","8.035","0.0009","16.499","0.0016","89.13","0.005","89.221","0.005","80.184","0.006","997.7","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1R*, 5R*, 7S*)-7-(m-chlorobenzoyloxymethyl)-7-ethyl-5- hydroxymethyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C20 H25 Cl O6 -","- C20 H25 Cl O6 -","- C40 H50 Cl2 O12 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0954","0.0784","","","0.1768","0.1956","","","","","","1.083","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021462","8.495","0.0002","9.715","0.0003","9.99","0.0004","81.011","0.001","76.269","0.001","80.257","0.002","783.53","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1R*, 3S*)-3-acetoxymethyl-1-(1-S-ethyl-oxiranyl)-3- hydroxy-cyclohexanecarboxylic acid methyl ester","","- C15 H24 O6 -","- C15 H24 O6 -","- C30 H48 O12 -","2","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0852","0.0692","","","0.1714","0.1997","","","","","","1.042","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021463","9.408","0.0003","10.167","0.0003","13.393","0.0004","90","","106.535","0.001","90","","1228.08","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4R*, 5R*, 7S*)-4-ethyl-4,7-dihidroxy-7- hydroxymethyl-2-oxa-spiro[4.5]decan-1-one","","- C12 H20 O5 -","- C12 H20 O5 -","- C48 H80 O20 -","4","1","","Natalia Pérez-Hernández; Martín Febles; Cirilo Pérez; Matías L. Rodríguez; Concepción Foces-Foces; Julio D. Martín","Synthesis and Structure of Hydroxyl Acids of General Structure 7,7-Alkenyl/alkynyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane- 1-carboxylic Acid","Journal of Organic Chemistry","2006","71","","1139","1151","10.1021/jo052237p","","","0.71073","MoKα","","0.0844","0.0579","","","0.154","0.1862","","","","","","1.06","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021464","7.0506","0.0012","11.0911","0.0019","25.228","0.005","90","","90","","90","","1972.8","0.6","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Gary A. Molander; Barbara Czakó; David J. St. Jean, Jr.","A General Route toward the Synthesis of the Cladiellin Skeleton Utilizing a SmI~2~-Mediated Cyclization","Journal of Organic Chemistry","2006","71","","1172","1180","10.1021/jo052290d","","","0.71069","MoKα","","0.0716","0.0357","","","0.0666","0.0782","","","","","","0.791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021465","9.9999","0.0004","7.6682","0.0003","14.1917","0.0005","90","","90","","90","","1088.24","0.07","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C3H7N5","","","- C3 H7 N5 -","- C3 H7 N5 -","- C24 H56 N40 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0861","0.0522","","","0.1282","0.1477","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021466","6.0853","0.0002","8.1184","0.0003","11.6028","0.0004","90","","99.6469","0.0015","90","","565.11","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N6 O -","- C3 H4 N6 O -","- C12 H16 N24 O4 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0505","0.0431","","","0.1102","0.117","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021467","5.9553","0.0004","13.2837","0.001","17.4438","0.0015","90","","90","","90","","1379.95","0.18","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O2 -","- C3 H6 N6 O2 -","- C24 H48 N48 O16 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0735","0.0411","","","0.0862","0.0943","","","","","","0.878","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021468","8.6094","0.001","12.5135","0.0009","10.5791","0.0012","90","","106.896","0.013","90","","1090.53","0.19","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 N6 O2 -","- C7 H14 N6 O2 -","- C28 H56 N24 O8 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0837","0.0419","","","0.0873","0.0976","","","","","","0.877","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021469","7.4471","0.0009","6.81","0.0006","10.2003","0.0011","90","","110.613","0.009","90","","484.19","0.09","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-7H-imidazolo[1,2-d]tetrazole","","- C3 H5 N5 -","- C3 H5 N5 -","- C12 H20 N20 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0417","0.0357","","","0.0955","0.1023","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021470","14.045","0.002","5.7882","0.0018","8.231","0.002","90","","102.285","0.019","90","","653.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N6 O -","- C3 H6 N6 O -","- C12 H24 N24 O4 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0566","0.0419","","","0.11","0.1221","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021471","6.2083","0.0008","8.6833","0.0014","11.651","0.002","90","","102.308","0.013","90","","613.65","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N6 O2 -","- C3 H4 N6 O2 -","- C12 H16 N24 O8 -","4","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0711","0.0524","","","0.1252","0.1384","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021472","9.408","0.0002","10.125","0.0002","14.0952","0.0003","90","","90","","90","","1342.65","0.05","173","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 N2 O5 S -","- C10 H18 N2 O5 S -","- C40 H72 N8 O20 S4 -","4","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0415","0.036","","","0.0928","0.0957","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021473","15.104","0.0004","6.16","0.0002","16.064","0.0005","90","","117.063","0.001","90","","1330.96","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 S2 -","- C27 H30 N2 O5 S2 -","- C54 H60 N4 O10 S4 -","2","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0865","0.0551","","","0.1245","0.1416","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021474","9.5204","0.0006","10.3261","0.0007","15.3043","0.001","90","","101.783","0.001","90","","1472.84","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Br S3 -","- C13 H21 Br S3 -","- C52 H84 Br4 S12 -","4","1","","Toshikazu Kitagawa; Yuichi Idomoto; Hiroaki Matsubara; Daisuke Hobara; Takashi Kakiuchi; Takao Okazaki; Koichi Komatsu","Rigid Molecular Tripod with an Adamantane Framework and Thiol Legs. Synthesis and Observation of an Ordered Monolayer on Au(111)","Journal of Organic Chemistry","2006","71","","1362","1369","10.1021/jo051863j","","","0.71073","MoKα","","0.0301","0.027","","","0.0738","0.0749","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021475","9.6218","0.0002","28.36","0.001","11.5099","0.0004","90","","107.566","0.002","90","","2994.3","0.2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N7 O2 S2 -","- C27 H37 N7 O2 S2 -","- C108 H148 N28 O8 S8 -","4","1","","Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders","Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides","Journal of Organic Chemistry","2006","71","","1399","1406","10.1021/jo052056n","","","0.71073","MoKα","","0.1551","0.0881","","","0.2045","0.2362","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021476","12.837","0.002","22.303","0.002","13.85","0.001","90","","90","","90","","3965.3","0.8","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cu N8 O5 S2 -","- C34 H48 Cu N9 O6 S2 -","- C136 H192 Cu4 N36 O24 S8 -","4","1","","Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders","Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides","Journal of Organic Chemistry","2006","71","","1399","1406","10.1021/jo052056n","","","0.71073","MoKα","","0.054","0.0357","","","0.0916","0.0992","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4021477","6.2686","0.0009","8.196","0.001","6.084","0.002","111.81","0.01","101.01","0.02","110.62","0.01","252.3","0.08","298.2","","298","","","","","","","","","4","P 1","P 1","1","","","","- C10 H17 N O -","- C10 H17 N O -","- C10 H17 N O -","1","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0369","","","","0.0527","","","","","","1.429","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021478","7.489","0.002","13.794","0.003","6.046","0.003","92.8","0.03","104.72","0.03","87.6","0.02","603","0.3","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 N O -","- C12 H21 N O -","- C24 H42 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0821","","","","0.1108","","","","","","2.24","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021479","15.645","0.005","15.428","0.002","11.384","0.003","90","","90","","90","","2747","1","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0528","","","","0.0561","","","","","","1.478","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021480","7.605","0.002","13.704","0.003","6.018","0.002","95.95","0.02","105.14","0.02","83.64","0.02","599.8","0.3","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O -","- C12 H19 N O -","- C24 H38 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0681","","","","0.0848","","","","","","1.885","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021481","16.852","0.005","18.09","0.005","9.068","0.003","90","","90","","90","","2764","2","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0513","","","","0.0579","","","","","","1.484","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021482","15.422","0.005","16.648","0.006","6.804","0.003","90","","90","","90","","1747","1","298","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0457","","","","0.0487","","","","","","1.439","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021483","16.3285","0.0002","13.5208","0.0002","13.9382","0.0002","90","","99.738","0.001","90","","3032.86","0.07","273","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R,2R,3S)-1-cyano-3-hydroxy-2,3-dimethyl-N-phenylcyclohexanecarboxamide","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C128 H160 N16 O16 -","8","2","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.71073","MoKα","","0.0873","0.0447","","","0.0912","0.1053","","","","","","0.96","","","","has coordinates,has disorder","193989","2020-10-21","18:00:00",""
"4021484","10.085","0.003","18.828","0.005","7.563","0.002","98.64","0.02","103.16","0.02","87.8","0.02","1382.5","0.6","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","2","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0525","","","","0.0644","","","","","","1.572","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021485","6.917","0.002","20.548","0.008","8.673","0.003","90","","104.45","0.03","90","","1193.6","0.8","294.2","","294.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0413","","","","0.0562","","","","","","1.267","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021486","21.761","0.004","7.581","0.002","7.508","0.001","90","","98.84","0.01","90","","1223.9","0.4","294","","294.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0462","","","","0.0596","","","","","","1.504","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021487","19.047","0.004","16.454","0.004","12.525","0.004","90","","90","","90","","3925","3","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0888","","","","0.1193","","","","","","2.168","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021488","7.647","0.002","12.894","0.005","7.616","0.004","93.83","0.04","96.96","0.03","105.74","0.02","713.6","0.5","29","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0571","","","","0.0615","","","","","","1.353","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4021489","6.0211","0.0004","29.3871","0.0018","7.4673","0.0004","90","","104.203","0.002","90","","1280.9","0.13","296","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R,2R,3S)-1-(cyclopropylmethyl)-2,3- dimethylyclohexanecarbonitrile","","- C13 H21 N O -","- C13 H21 N O -","- C52 H84 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.71073","MoKα","","0.0782","0.0451","","","0.1156","0.1287","","","","","","1.053","","","","has coordinates","193990","2020-10-21","18:00:00",""
"4021490","7.5391","0.0009","14.678","0.002","6.046","0.001","90.52","0.01","105.22","0.01","91.55","0.01","645.2","0.2","294.2","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 N O -","- C13 H21 N O -","- C26 H42 N2 O2 -","2","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0545","","","","0.0687","","","","","","1.694","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021491","13.932","0.003","16.279","0.003","18.937","0.004","90","","90","","90","","4295","1.5","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 I O -","- C13 H23 I O -","- C156 H276 I12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0339","0.0242","","","0.0427","0.0449","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021492","13.658","0.004","16.12","0.004","18.84","0.005","90","","90","","90","","4148","1.9","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C156 H276 Br12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0945","0.0371","","","0.0666","0.0791","","","","","","0.904","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021493","16.422","0.0003","16.422","0.0003","7.6968","0.0003","90","","90","","90","","2075.69","0.1","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","(1S*,3S*)-3-Bromo-1,5,5-trimethylcyclohexanol","","- C9 H17 Br O -","- C9 H17 Br O -","- C72 H136 Br8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0318","0.0278","","","0.071","0.0728","","","","","","1.038","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021494","16.4301","0.0004","16.4301","0.0004","8.272","0.0005","90","","90","","90","","2233.01","0.16","193","2","193","2","","","","","","","synthesis","4","I -4","I -4","82","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","(1R*,2S*,3R*)-3-Chloro-1,2,5,5-tetramethylcyclohexanol","","- C10 H19 Cl O -","- C10 H19 Cl O -","- C80 H152 Cl8 O8 -","8","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0337","0.0324","","","0.0852","0.0868","","","","","","1.087","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021495","6.624","0.002","8.063","0.003","12.29","0.005","90","","96.189","0.006","90","","652.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C26 H46 Br2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0331","0.0267","","","0.0555","0.0571","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021496","6.516","0.004","8.084","0.005","12.148","0.008","90","","94.748","0.009","90","","637.7","0.7","193","2","193","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3R,6S,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C26 H46 Cl2 O2 -","2","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0436","0.0321","","","0.0618","0.0647","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021497","12.447","0.006","12.447","0.006","49.29","0.05","90","","90","","120","","6613","8","193","2","193","2","","","","","","","synthesis","4","P 61","P 61","169","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C252 H450 Cl18 O18 -","18","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.1037","0.0514","","","0.0903","0.1017","","","","","","0.914","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021498","5.702","0.003","9.187","0.004","24.444","0.012","90","","90","","90","","1280.5","1","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0583","0.0348","","","0.064","0.0687","","","","","","0.935","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021499","5.7016","0.0009","13.263","0.002","17.305","0.003","90","","90","","90","","1308.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0649","0.0411","","","0.0895","0.0957","","","","","","0.973","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021500","6.3934","0.0005","9.9221","0.0008","28.137","0.002","90","","90","0.002","90","","1784.9","0.2","198","2","198","2","","","","","","","XS-IV-83R","5","P 1 21 1","P 2yb","4","Endo-Proline-phosphoramide(3,5-di-Me-Ph).","","","- C18 H28 N3 O P -","- C18 H28 N3 O P -","- C72 H112 N12 O4 P4 -","4","2","","Scott E. Denmark; Jiping Fu; Diane M. Coe; Xiping Su; Norman E. Pratt; Brian D. Griedel","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative and Mechanistic Studies with Monodentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1513","1522","10.1021/jo052202p","","","0.71073","MoKα","","0.2487","0.1163","","0.2304","0.1652","","","","1.2","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021501","5.9036","0.0013","17.011","0.004","23.974","0.005","90","","90","","90","","2407.6","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O2 -","- C28 H29 Br O2 -","- C112 H116 Br4 O8 -","4","1","","Scott E. Denmark; Jiping Fu; Michael J. Lawler","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative Studies with Bidentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1523","1536","10.1021/jo052203h","","","0.71073","MoKα","","0.111","0.0405","","","0.0606","0.072","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021502","9.3773","0.0009","28.293","0.003","10.4971","0.0011","90","","93.167","0.002","90","","2780.8","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O6 S2 -","- C30 H29 N O6 S2 -","- C120 H116 N4 O24 S8 -","4","2","","Gabriela Islas-González; Jordi Benet-Buchholz; Miguel A. Maestro; Antoni Riera; Miquel A. Pericàs","Boron Trifluoride-Induced, New Stereospecific Rearrangements of Chiral Epoxy Ethers. Ready Access to Enantiopure 4-(Diarylmethyl)-1,3-dioxolanes and 4,5-Disubstituted Tetrahydrobenzo[c]oxepin-4-ols","Journal of Organic Chemistry","2006","71","","1537","1544","10.1021/jo052208e","","","0.71073","MoKα","","0.1369","0.0486","","","0.0851","0.1067","","","","","","0.978","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021503","14.8358","0.0016","5.6888","0.0006","17.707","0.002","90","","99.434","0.004","90","","1474.2","0.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Benzo[c]oxepin","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Gabriela Islas-González; Jordi Benet-Buchholz; Miguel A. Maestro; Antoni Riera; Miquel A. Pericàs","Boron Trifluoride-Induced, New Stereospecific Rearrangements of Chiral Epoxy Ethers. Ready Access to Enantiopure 4-(Diarylmethyl)-1,3-dioxolanes and 4,5-Disubstituted Tetrahydrobenzo[c]oxepin-4-ols","Journal of Organic Chemistry","2006","71","","1537","1544","10.1021/jo052208e","","","0.71073","MoKα","","0.0996","0.0527","","","0.1109","0.1239","","","","","","0.911","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021504","8.4218","0.0008","9.081","0.0008","9.155","0.0008","97.508","0.007","101.043","0.007","90.621","0.007","680.84","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C36 H34 N2 O2 -","2","1","","Emma L. Cropper; Andrew J. P. White; Agnes Ford; King Kuok (Mimi) Hii","Ligand Effects in the Synthesis of N-Heterocycles by Intramolecular Heck Reactions","Journal of Organic Chemistry","2006","71","","1732","1735","10.1021/jo0522660","","","0.71073","MoKα","","0.0498","0.0489","","","0.1264","0.1271","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021505","16.5637","0.0012","6.9794","0.0006","27.0219","0.0018","90","","100.622","0.006","90","","3070.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Emma L. Cropper; Andrew J. P. White; Agnes Ford; King Kuok (Mimi) Hii","Ligand Effects in the Synthesis of N-Heterocycles by Intramolecular Heck Reactions","Journal of Organic Chemistry","2006","71","","1732","1735","10.1021/jo0522660","","","0.71073","MoKα","","0.0597","0.0587","","","0.1368","0.1375","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021506","16.6634","0.0019","6.5904","0.0008","20.015","0.002","90","","98.633","0.002","90","","2173.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C88 H136 N8 O12 S4 -","4","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.0576","0.0437","","","0.1133","0.1245","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021507","7.7747","0.0003","10.2153","0.0004","14.7689","0.0006","81.897","0.001","88.927","0.001","68.981","0.001","1083.34","0.07","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C44 H68 N4 O6 S2 -","2","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.0592","0.0404","","","0.0961","0.1081","","","","","","1.046","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021508","11.188","0.003","6.3507","0.0015","16.177","0.004","90","","103.011","0.004","90","","1119.8","0.5","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 N2 O3 S -","- C22 H34 N2 O3 S -","- C44 H68 N4 O6 S2 -","2","1","","Larry E. Overman; Emile J. Velthuisen","Scope and Facial Selectivity of the Prins-Pinacol Synthesis of Attached Rings","Journal of Organic Chemistry","2006","71","","1581","1587","10.1021/jo0522862","","","0.71073","MoKα","","0.1614","0.0939","","","0.2159","0.2654","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021509","9.566","0.001","12.145","0.002","23.348","0.004","90","","90","","90","","2712.53","0.65","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O6 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Yin Wang; Qin-Fei He; Hao-Wei Wang; Xuan Zhou; Zhi-Yan Huang; Yong Qin","Highly Diastereoselective Enolate Addition of O-Protected α-Hydroxyacetate to (S~R~)-tert-Butanesulfinylimines: Synthesis of Taxol Side Chain","Journal of Organic Chemistry","2006","71","","1588","1591","10.1021/jo052298n","","","0.71073","MoKα","","0.0655","0.0418","","","0.0866","0.0913","","","","","","0.975","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021510","14.3365","0.0009","19.7335","0.0019","26.4104","0.0019","97.923","0.005","90.04","0.004","106.804","0.005","7077.9","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3aptolBr","","","- C59.67 H82.67 Br3 N9 O8.67 -","- C52 H42.5 Br3 N8.5 O2.75 -","- C208 H170 Br12 N34 O11 -","4","2","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.2527","0.1228","","","0.2976","0.3475","","","","","","0.904","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021511","14.0745","0.0002","26.5397","0.0003","29.3483","0.0004","90","","96.098","0.001","90","","10900.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","TUP.PF6/NO3","TUP.PF6/NO3","","- C54 H60 F6 N10.75 O8.5 P1.25 -","- C54 H60 F6 N10.75 O8.5 P1.25 -","- C432 H480 F48 N86 O68 P10 -","8","1","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.1169","0.0828","","","0.2247","0.2503","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021512","11.8906","0.0007","12.2442","0.0008","13.4875","0.0007","101.325","0.004","96.59","0.004","117.117","0.003","1666.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","- C60 H72 F18 N9 O5 P3 -","1","1","","David R. Turner; Martin J. Paterson; Jonathan W. Steed","A Conformationally Flexible, Urea-Based Tripodal Anion Receptor: Solid-State, Solution, and Theoretical Studies","Journal of Organic Chemistry","2006","71","","1598","1608","10.1021/jo052339f","","","0.71073","MoKα","","0.0804","0.0633","","","0.1342","0.1438","","","","","","1.07","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021513","11.6976","0.0014","8.1596","0.001","15.0502","0.0018","90","","107.932","0.002","90","","1366.7","0.3","","","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Aziridino-cyclohexene","(1aR,5aS)-1a-methyl-1-[(4-methylphenyl) sulfonyl]-1a,2,5,5a-tetrahydro-1H-1-benzazirene","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C56 H68 N4 O8 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0563","0.049","","","0.1257","0.1301","","","","","","1.128","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021514","21.774","0.005","8.4311","0.0018","16.262","0.003","90","","98.761","0.004","90","","2950.5","1.1","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Aziridino-cyclohexene","(1aR,5aS)-1a,4-dimethyl-1-[(4-methylphenyl) sulfonyl]-1a,2,5,5a-tetrahydro-1H-1-benzazirene","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C120 H152 N8 O16 S8 -","8","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0838","0.0706","","","0.1559","0.1657","","","","","","1.265","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021515","12.336","0.008","8.151","0.005","14.536","0.01","90","","104.232","0.011","90","","1416.7","1.6","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Cis-aziridino-epoxy-cyclohexane","(1aS,2aR,3aS,4aR)-2a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0476","0.0413","","","0.1121","0.116","","","","","","1.082","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021516","7.7208","0.0014","18.301","0.003","10.857","0.002","90","","104.458","0.003","90","","1485.6","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Cis-aziridino-epoxy-cyclohexane","(1aR,2aS,3aR,4aS)-1a,3a-dimethyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0605","0.0496","","","0.1136","0.1181","","","","","","1.123","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021517","6.4314","0.0017","10.997","0.003","24.165","0.006","90","","91.696","0.004","90","","1708.4","0.8","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Cis-aziridino-epoxy-cyclohexane","(1aS,2aS,3aR,4aS)-1a-isopropyl-3a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1046","0.0856","","","0.164","0.1701","","","","","","1.431","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021518","6.484","0.004","11.763","0.007","18.062","0.011","90","","98.903","0.01","90","","1360.9","1.4","2969","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxy-cyclohexane","(1aR,2aR,3aS,4aS)-2a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0468","0.0398","","","0.1066","0.1123","","","","","","1.066","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021519","31.917","0.007","5.9247","0.0013","15.93","0.004","90","","91.371","0.004","90","","3011.4","1.2","296","2","296","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","trans-aziridino-epoxy-cyclohexane","(1aR,2aR,3aS,4aS)-1a,2a-dimethyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C120 H152 N8 O24 S8 -","8","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1069","0.0866","","","0.223","0.2415","","","","","","0.985","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021520","7.6464","0.0016","28.747","0.006","7.9681","0.0017","90","","114.656","0.003","90","","1591.8","0.6","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxide","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0626","0.0561","","","0.1288","0.1325","","","","","","1.163","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021521","7.0977","0.0016","9.111","0.002","12.314","0.003","101.147","0.003","94.924","0.003","106.198","0.003","742","0.3","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","cis-cyclic-aziridino-epoxy-octane","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C30 H38 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0561","0.0458","","","0.123","0.1281","","","","","","1.066","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021522","6.136","0.002","9.04","0.003","11.057","0.004","100.788","0.005","97.355","0.006","92.065","0.006","596.4","0.4","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","trans-aziridino-epoxide","","","- C12 H12 N O3 S -","- C12 H12 N O3 S -","- C24 H24 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0436","0.0406","","","0.1108","0.1128","","","","","","1.121","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021523","8.579","0.006","6.023","0.004","13.59","0.009","90","","96.762","0.011","90","","697.4","0.8","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","trans-aziridino-epoxy-cyclohexane","(1aS,2aS,3aR,4aR)-1a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C28 H34 N2 O6 S2 -","2","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0878","0.0739","","","0.1874","0.1931","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021524","15.656","0.004","19.673","0.005","19.736","0.005","90","","90","","90","","6079","3","296","2","296","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","trnas-aziridino-epoxide","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C240 H304 N16 O48 S16 -","16","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1403","0.1021","","","0.1937","0.2064","","","","","","1.274","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021525","6.1762","0.0014","14.029","0.003","17.742","0.004","90","","90","","90","","1537.2","0.6","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","trans-aziridino-epoxide","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0449","0.0398","","","0.0976","0.0999","","","","","","0.998","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021526","11.247","0.002","15.655","0.003","9.4946","0.0018","90","","107.586","0.003","90","","1593.6","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridino-epoxide","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0638","0.0533","","","0.1444","0.1511","","","","","","1.163","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021527","8.405","0.003","13.343","0.005","15.028","0.005","90","","90","","90","","1685.3","1","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","cis-aziridino-epoxy-carvone","(1aS,4S,5aS)-1a-methyl-4-{(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-yl}perhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0283","0.0273","","","0.0676","0.0682","","","","","","1.096","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021528","6.87","0.003","17.753","0.007","18.14","0.007","90","","90","","90","","2212.4","1.6","293","2","293","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","Fred2003","","","- C23 H21 N3 O7 -","- C23 H21 N3 O7 -","- C92 H84 N12 O28 -","4","1","","Frédéric Peyrane; Michèle Cesario; Pascale Clivio","Photochemical Ring Expansion of 4-Azidouracil: a Route to 5H-1,3,5-Triazepin-2,4-dione in the Nucleoside Series","Journal of Organic Chemistry","2006","71","","1742","1745","10.1021/jo0524066","","","0.71073","MoKα","","0.0615","0.0442","","0.0864","","0.0798","","","1.097","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021529","22.013","0.006","12.712","0.004","19.506","0.006","90","","103.427","0.005","90","","5309","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl3 N4 O2 -","- C26 H27 Cl3 N4 O2 -","- C208 H216 Cl24 N32 O16 -","8","2","","Yao-Peng Zhao; Chun-Chang Zhao; Li-Zhu Wu; Li-Ping Zhang; Chen-Ho Tung; Yuan-Jiang Pan","First Fluorescent Sensor for Fluoride Based on 2-Ureido-4[1H]-pyrimidinone Quadruple Hydrogen-Bonded AADD Supramolecular Assembly","Journal of Organic Chemistry","2006","71","","2143","2146","10.1021/jo051932u","","","0.71073","MoKα","","0.1747","0.0774","","","0.2001","0.2688","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021530","13.629","0.003","12.626","0.002","16.359","0.004","90","","105.21","0.02","90","","2716.4","1","294","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O5 Si -","- C28 H35 N O5 Si -","- C112 H140 N4 O20 Si4 -","4","1","","Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno","Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","1892","1901","10.1021/jo0521854","","","0.71069","MoKα","","0.09","0.0446","","","0.113","0.1291","","","","","","1.011","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021531","10.3806","0.0002","14.2036","0.0004","19.7427","0.0005","90","","90","","90","","2910.9","0.12","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 O5 Si -","- C31 H36 O5 Si -","- C124 H144 O20 Si4 -","4","1","","Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno","Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","1892","1901","10.1021/jo0521854","","","0.71069","MoKα","","0.1104","0.0507","","","0.1255","0.1577","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021532","9.3229","0.0003","13.8767","0.0005","22.3925","0.0011","90","","90","","90","","2896.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NOE2","NOE2","","- C12 H21 N O5 -","- C24 H42 N2 O10 -","- C96 H168 N8 O40 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.0697","0.0522","","","0.1145","0.1252","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021533","9.37","0.0004","13.6508","0.0006","9.424","0.0004","90","","90","","90","","1205.4","0.09","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","noe.mom","noe.mom","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.1118","0.0582","","","0.1286","0.1503","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021534","9.3753","0.0002","10.5438","0.0003","13.9897","0.0004","104.501","0.0018","100.171","0.0016","109.029","0.001","1214.26","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","noe-2-7","2-OMOM-1-acetamidociclobutilcarboxilato de metilo","","- C20 H34 N2 O10 -","- C20 H34 N2 O10 -","- C40 H68 N4 O20 -","2","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.1212","0.0732","","","0.1987","0.2339","","","","","","1.048","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021535","7.1537","0.0002","17.2234","0.0006","9.5554","0.0003","90","","96.095","0.002","90","","1170.68","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etoxi-1-acetamidometoxicarbonilciclobutano","cis-2-etoxi-1-acetamidometoxicarbonilciclobutano","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.0981","0.0528","","","0.1293","0.1511","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021536","9.7028","0.0013","10.3326","0.0014","22.559","0.003","90","","90","","90","","2261.7","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","04022a","3-[3R-Benzyl-1-(4-methoxybenzyl)-2-oxo-pyrrolidin-3-yl] -4S-phenyl-oxazolidin-2-one (7a)","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0366","0.0282","","","0.0719","0.0785","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021537","9.2415","0.0008","11.7262","0.001","11.7251","0.001","90","","110.305","0.001","90","","1191.66","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04208a","(3-[3R-Benzyl-1-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-ylmethyl) -2-oxo-pyrrolidin-3-yl]-4S-phenyl-oxazolidin-2-one (15a)","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C54 H60 N4 O12 -","2","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0527","0.039","","","0.0881","0.0959","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021538","10.083","0.001","9.6407","0.001","25.028","0.003","90","","101.187","0.002","90","","2386.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O Se -","- C30 H26 O Se -","- C120 H104 O4 Se4 -","4","1","","Min Shi; Jian-Mei Lu","Reactions of Vinylidenecyclopropanes with Diphenyl Diselenide in the Presence of AIBN and Further Transformation To Produce New Naphthalene Derivatives","Journal of Organic Chemistry","2006","71","","1920","1923","10.1021/jo0522613","","","0.71073","MoKα","","0.0889","0.0408","","","0.0769","0.0843","","","","","","0.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021539","11.602","0.005","7.431","0.003","14.741","0.006","90","","97.244","0.009","90","","1260.7","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2'S,4a'S,7'R,8a'R)-1-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-2,2,2-trifluoro-1-(4- methoxyphenyl)ethanol.","","- C27 H34 F3 N O3 -","- C27 H34 F3 N O3 -","- C54 H68 F6 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0512","0.036","","","0.0938","0.1024","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021540","10.061","0.003","12.495","0.003","18.164","0.005","90","","90","","90","","2283.4","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluoro-3- methylbutan-2-ol","","- C23 H34 F3 N O2 -","- C23 H34 F3 N O2 -","- C92 H136 F12 N4 O8 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0339","0.0281","","","0.0765","0.0814","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021541","8.22","0.003","9.013","0.003","9.635","0.003","68.718","0.006","74.078","0.006","63.603","0.005","590.3","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluorohexan-2- ol","","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","- C24 H36 F3 N O2 -","1","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0374","0.0361","","","0.1011","0.1033","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021542","6.1368","0.001","22.711","0.004","12.799","0.002","90","","90.663","0.003","90","","1783.7","0.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O5 -","- C18.966 H23 N O4.595 -","- C75.864 H92 N4 O18.38 -","4","1","","Jeffrey E. Kropf; Ivona C. Meigh; Magnus W. P. Bebbington; Steven M. Weinreb","Studies on a Total Synthesis of the Microbial Immunosuppresive Agent FR901483","Journal of Organic Chemistry","2006","71","","2046","2055","10.1021/jo052466b","","","0.71073","MoKα","","0.0794","0.0671","","","0.1969","0.207","","","","","","1.096","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021543","10.417","0.004","22.057","0.008","12.115","0.005","90","","90.138","0.011","90","","2783.6","1.8","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C96 H160 N16 O32 -","8","4","","Grant R. Krow; Qiuli Huang; Guoliang Lin; Ryan A. Centafont; Andrew M. Thomas; Deepa Gandla; Charles DeBrosse; Patrick J. Carroll","5-Carboxy-2-azabicyclo[2.1.1]hexanes as Precursors of 5-Halo, Amino, Phenyl, and 2-Methoxycarbonylethyl Methanopyrrolidines","Journal of Organic Chemistry","2006","71","","2090","2098","10.1021/jo052506b","","","0.7107","MoKα","","0.0655","0.0602","","","0.1599","0.1661","","","","","","1.114","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021544","9.9344","0.0011","13.5019","0.0015","10.2111","0.0011","90","","102.034","0.003","90","","1339.5","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 -","- C11 H17 N5 O3 -","- C44 H68 N20 O12 -","4","1","","Grant R. Krow; Qiuli Huang; Guoliang Lin; Ryan A. Centafont; Andrew M. Thomas; Deepa Gandla; Charles DeBrosse; Patrick J. Carroll","5-Carboxy-2-azabicyclo[2.1.1]hexanes as Precursors of 5-Halo, Amino, Phenyl, and 2-Methoxycarbonylethyl Methanopyrrolidines","Journal of Organic Chemistry","2006","71","","2090","2098","10.1021/jo052506b","","","0.71069","MoKα","","0.0436","0.0387","","","0.0979","0.1021","","","","","","1.043","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021545","6.266","0.0011","11.757","0.002","23.212","0.004","90","","90","","90","","1710.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound12","(4S)-4-benzyl-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-1,3-oxazolidin-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0535","0.045","","","0.1121","0.1175","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021546","8.7449","0.0007","9.1351","0.0008","20.2771","0.0017","90","","90","","90","","1619.8","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound22","(3aS,8aR)-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazo-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0368","0.0336","","","0.0847","0.0869","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021547","10.563","0.002","9.546","0.002","19.385","0.004","90","","105.19","0.03","90","","1886.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O -","- C25 H22 O -","- C100 H88 O4 -","4","1","","W. Brian Jennings; Brid M. Farrell; John F. Malone","Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls","Journal of Organic Chemistry","2006","71","","2277","2282","10.1021/jo0520902","","","1.54178","CuKα","","0.0635","0.0455","","","0.1118","0.1229","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021548","7.5263","0.0015","16.602","0.003","7.8093","0.0016","90","","98.89","0.03","90","","964.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O -","- C26 H24 O -","- C52 H48 O2 -","2","1","","W. Brian Jennings; Brid M. Farrell; John F. Malone","Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls","Journal of Organic Chemistry","2006","71","","2277","2282","10.1021/jo0520902","","","1.54178","CuKα","","0.0491","0.0429","","","0.1115","0.1166","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021549","59.445","0.003","10.5079","0.0005","25.8107","0.0011","90","","95.554","0.002","90","","16046.8","1.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C96 H100 O20 -","- C96 H100 O20 -","- C768 H800 O160 -","8","2","","Enrique M. Rubio; M. Isabel García-Moreno; Patricia Balbuena; Fernando J. Lahoz; Eleuterio Álvarez; Carmen Ortiz Mellet; José M. García Fernández","Spacer-Mediated Synthesis of Contra-Thermodynamic Spiroacetals: Stereoselective Synthesis of C~2~-Symmetric Difructose Dianhydrides","Journal of Organic Chemistry","2006","71","","2257","2266","10.1021/jo052184b","","","0.6934","synchrotron","","0.1122","0.0874","","","0.2239","0.2532","","","","","","1.063","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021550","13.3529","0.001","16.269","0.0012","18.2496","0.0016","85.878","0.005","86.844","0.004","70.947","0.005","3735.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H73 F24 N7 O6 P4 -","- C70 H73 F23.992 N7 O6 P4 -","- C140 H146 F47.984 N14 O12 P8 -","2","1","","Pin-Nan Cheng; Po-Yi Huang; Wan-Sheung Li; Shau-Hua Ueng; Wei-Chung Hung; Yi-Hung Liu; Chien-Chen Lai; Yu Wang; Shie-Ming Peng; Ito Chao; Sheng-Hsien Chiu","Is [N^+^-H···O] Hydrogen Bonding the Most Important Noncovalent Interaction in Macrocycle-Dibenzylammonium Ion Complexes?","Journal of Organic Chemistry","2006","71","","2373","2383","10.1021/jo052411+","","","0.71073","MoKα","","0.1743","0.0669","","","0.1533","0.204","","","","","","0.987","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021551","22.0478","0.0004","23.4873","0.0007","13.2064","0.0006","90","","94.884","0.001","90","","6814","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 F24 N5 O7 P4 -","- C65 H69 F24 N5 O7 P4 -","- C260 H276 F96 N20 O28 P16 -","4","1","","Pin-Nan Cheng; Po-Yi Huang; Wan-Sheung Li; Shau-Hua Ueng; Wei-Chung Hung; Yi-Hung Liu; Chien-Chen Lai; Yu Wang; Shie-Ming Peng; Ito Chao; Sheng-Hsien Chiu","Is [N^+^-H···O] Hydrogen Bonding the Most Important Noncovalent Interaction in Macrocycle-Dibenzylammonium Ion Complexes?","Journal of Organic Chemistry","2006","71","","2373","2383","10.1021/jo052411+","","","0.71073","MoKα","","0.1793","0.0599","","","0.136","0.1672","","","","","","0.848","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021552","8.39","0.003","18.948","0.007","13.886","0.005","90","","103.889","0.007","90","","2143","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O8 -","- C23 H22 O8 -","- C92 H88 O32 -","4","1","","Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh","Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans","Journal of Organic Chemistry","2006","71","","2313","2319","10.1021/jo052429k","","","0.71073","MoKα","","0.064","0.0549","","","0.1313","0.1363","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021553","38.507","0.003","11.0686","0.0008","13.5293","0.001","90","","90","","90","","5766.5","0.7","300","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H32 O10 -","- C30 H32 O10 -","- C240 H256 O80 -","8","1","","Vijay Nair; Ani Deepthi; Manojkumar Poonoth; Bindu Santhamma; Sreekumar Vellalath; Beneesh Pattoorpady Babu; Resmi Mohan; Eringathodi Suresh","Reaction of Dimethoxycarbene-DMAD Zwitterion with 1,2-Diones and Anhydrides: A Novel Synthesis of Highly Substituted Dihydrofurans and Spirodihydrofurans","Journal of Organic Chemistry","2006","71","","2313","2319","10.1021/jo052429k","","","0.71073","MoKα","","0.0864","0.0665","","","0.1528","0.1639","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021554","10.495","0.002","11.003","0.002","11.888","0.003","102.636","0.014","115.823","0.01","102.89","0.01","1123.8","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O3 -","- C27 H25 N3 O3 -","- C54 H50 N6 O6 -","2","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0637","0.0414","","","0.1093","0.1156","","","","","","0.985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021555","7.4665","0.0002","14.5957","0.0004","16.4508","0.0005","90","","90","","90","","1792.79","0.09","183","2","183","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0515","0.0423","","","0.1018","0.1083","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021556","21.8453","0.0005","7.9252","0.0002","12.0822","0.0002","90","","99.811","0.001","90","","2061.18","0.08","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 S2 -","- C22 H22 N2 O3 S2 -","- C88 H88 N8 O12 S8 -","4","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0616","0.0434","","","0.1096","0.1191","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021557","15.937","0.005","7.227","0.003","10.649","0.003","90","","91","0.02","90","","1226.3","0.7","295","2","295","2","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","Hypodermin B","1RS-Hydroxy-6,6-dimethyl-7,8-dihydronaphtho[1,2-c]furan-3,9(1H,6H)-dione","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy; Marc R. Campitelli","Efficient Formal Synthesis of (±)-Hyphodermin B","Journal of Organic Chemistry","2006","71","","2384","2388","10.1021/jo052485l","","","0.71069","MoKα","","0.1238","0.0666","","","0.1823","0.2182","","","","","","1.035","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021558","18.193","0.005","11.808","0.003","9.98","0.003","90","","90","","90","","2143.9","1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H29 B F2 N2 O2 -","- C21 H29 B F2 N2 O2 -","- C84 H116 B4 F8 N8 O8 -","4","0.5","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.1235","0.1095","","","0.1916","0.1972","","","","","","1.331","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021559","7.2512","0.0015","10.18","0.002","15.873","0.003","90","","91.287","0.004","90","","1171.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 B F2 N2 O2 -","- C12 H11 B F2 N2 O2 -","- C48 H44 B4 F8 N8 O8 -","4","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0949","0.0802","","","0.1531","0.1593","","","","","","1.261","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021560","8.465","0.0011","15.953","0.002","7.1898","0.001","90","","112.498","0.002","90","","897","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F2 N O2 -","- C8 H8 B F2 N O2 -","- C32 H32 B4 F8 N4 O8 -","4","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0575","0.0508","","","0.1126","0.1158","","","","","","1.143","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021561","13.2822","0.0017","10.0025","0.0013","19.084","0.002","90","","93.46","0.002","90","","2530.7","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 B F2 N2 O2 -","- C13 H13 B F2 N2 O2 -","- C104 H104 B8 F16 N16 O16 -","8","1","","Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda","CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles","Journal of Organic Chemistry","2006","71","","2389","2394","10.1021/jo052511f","","","0.71073","MoKα","","0.0548","0.0487","","","0.1176","0.122","","","","","","1.03","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021562","12.314","0.009","5.395","0.004","23.491","0.009","90","","99.5","0.05","90","","1539.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.0861","0.066","","","0.1716","0.1896","","","","","","0.995","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021563","8.2907","0.0007","25.267","0.002","9.8863","0.001","90","","92.895","0.007","90","","2068.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl N O3 S -","- C22 H30 Cl N O3 S -","- C88 H120 Cl4 N4 O12 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0368","0.0346","","","0.0975","0.0996","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021564","12.0277","0.0008","8.1746","0.0006","32.402","0.002","90","","92.259","0.002","90","","3183.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21.5 N O3.25 S -","- C15 H21 N O3.25 S -","- C120 H168 N8 O26 S8 -","8","2","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.0873","0.0703","","","0.1538","0.1636","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021565","37.0373","0.0005","8.1352","0.0001","17.3169","0.0003","90","","112.948","0.001","90","","4804.75","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0505","0.045","","","0.1242","0.1296","","","","","","1.031","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021566","11.702","0.007","19.771","0.011","8.26","0.003","91.731","0.007","94.46","0.02","78.626","0.009","1867.6","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl N O3.5 S -","- C16 H25 Cl N O3.5 S -","- C64 H100 Cl4 N4 O14 S4 -","4","2","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","0.71069","MoKα","","0.1201","0.0711","","","0.1741","0.2066","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021567","12.7573","0.0002","7.1769","0.0001","18.2639","0.0003","90","","103.375","0.001","90","","1626.85","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N O4 S -","- C15 H23 N O4 S -","- C60 H92 N4 O16 S4 -","4","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0591","0.0534","","","0.1459","0.1529","","","","","","1.06","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021568","7.1655","0.0005","12.5023","0.0008","12.5225","0.0008","72.821","0.004","73.935","0.005","80.046","0.005","1024.84","0.12","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl N O3 S -","- C22 H30 Cl N O3 S -","- C44 H60 Cl2 N2 O6 S2 -","2","1","","Jodi T. Williams; Perdip S. Bahia; Benson M. Kariuki; Neil Spencer; Douglas Philp; John S. Snaith","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: Switching between Kinetic and Thermodynamic Control with Brønsted and Lewis Acid Catalysts","Journal of Organic Chemistry","2006","71","","2460","2471","10.1021/jo052532+","","","1.54178","CuKα","","0.0489","0.0455","","","0.1284","0.1331","","","","","","1.05","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021569","10.6258","0.0005","14.2621","0.0007","13.7374","0.0007","90","","104.524","0.001","90","","2015.32","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 S -","- C20 H20 N2 O6 S -","- C80 H80 N8 O24 S4 -","4","1","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.1096","0.078","","","0.1958","0.2067","","","","","","1.476","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021570","7.471","0.0005","12.1457","0.0008","12.2613","0.0008","72.842","0.001","89.109","0.002","78.209","0.002","1039.46","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 S -","- C21 H21.22 N2 O6 S -","- C42 H42.44 N4 O12 S2 -","2","1","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.1169","0.0905","","","0.2154","0.2242","","","","","","1.619","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021571","9.139","0.0014","19.074","0.004","26.46","0.004","90","","90","","90","","4612.5","1.3","295","2","295","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C12 H22 O -","- C12 H22 O -","- C192 H352 O16 -","16","","","Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen","Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion","Journal of Organic Chemistry","2006","71","","2360","2372","10.1021/jo052535m","","","0.71073","MoKα","","0.0911","0.0585","","","0.1302","0.1436","","","","","","1.016","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021572","7.949","0.001","10.221","0.002","19.48","0.002","90","0.01","90","0.009","90","0.01","1582.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl (2aS,7S,7aR,7bR)-7-tert-Butoxy-2a-chlorohexahydro cyclobuta[d]pyrrolo[1,2-b]isoxazole-7b-(1H)-carboxylate","","- C14 H22 Cl N O4 -","- C14 H22 Cl N O4 -","- C56 H88 Cl4 N4 O16 -","4","1","","Julia Revuelta; Stefano Cicchi; Cristina Faggi; Sergei I. Kozhushkov; Armin de Meijere; Alberto Brandi","Synthesis of Enantiopure Indolizinones by Cascade Ring Enlargements of 4'-Chlorospiro[cyclopropane-1,5'-isoxazolidines]","Journal of Organic Chemistry","2006","71","","2417","2423","10.1021/jo052564x","","","0.71073","MoKα","","0.0939","0.0646","","","0.153","0.1724","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021573","10.5576","0.0002","16.3112","0.0005","10.9369","0.0003","90","","108.886","0.002","90","","1782.02","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 O P -","- C9 H11 O P -","- C72 H88 O8 P8 -","8","4","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0516","0.0402","","","0.0933","0.0984","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021574","8.8844","0.0002","9.2378","0.0002","11.7132","0.0003","90","","90","","90","","961.33","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 O P -","- C10 H13 O P -","- C40 H52 O4 P4 -","4","1","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0305","0.0273","","","0.0653","0.0671","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021575","22.9793","0.0017","5.2856","0.0004","34.382","0.003","90","","90","","90","","4176.1","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C216 H168 N24 O16 -","8","2","","Lori I. Robins; Richard D. Carpenter; James C. Fettinger; Makhluf J. Haddadin; Dino S. Tinti; Mark J. Kurth","Diazocinones: Synthesis and Conformational Analysis","Journal of Organic Chemistry","2006","71","","2480","2485","10.1021/jo052577a","","","0.71073","MoKα","","0.0702","0.0496","","","0.1072","0.1161","","","","","","1.011","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021576","19.899","0.001","20.987","0.001","21.619","0.001","90","","111.143","0.001","90","","8420.8","0.8","100","2","100","2","","","","","","","","10","C 1 2 1","C 2y","5","","","","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C38.5 H48 Cl3 F6 Fe N O P Pd Sb -","- C308 H384 Cl24 F48 Fe8 N8 O8 P8 Pd8 Sb8 -","8","2","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0319","0.0271","","","0.0625","0.0645","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021577","9.708","0.0007","19.346","0.001","20.884","0.002","90","","90","","90","","3922.2","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 F6 Fe N O P Pd Sb -","- C40 H49 F6 Fe N O P Pd Sb -","- C160 H196 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","4","1","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0314","0.028","","","0.0644","0.0656","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021578","9.5017","0.0006","9.8087","0.0009","11.8467","0.0013","92.425","0.014","98.361","0.009","113.223","0.009","997.81","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.059","0.0483","","","0.1274","0.1347","","","","","","1.036","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021579","9.671","0.003","10.877","0.004","11.586","0.004","87.23","0.03","84.82","0.03","69.79","0.03","1138.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C46 H56 O14 -","2","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0963","0.0732","","","0.1972","0.2168","","","","","","1.017","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021580","15.2133","0.0014","11.0199","0.001","10.072","0.002","90","","100.85","0.012","90","","1658.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0818","0.0709","","","0.1911","0.2003","","","","","","1.068","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021581","11.822","0.004","10.17","0.003","20.703","0.004","90","","90","","90","","2489.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C112 H88 N8 O48 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0672","0.0541","","","0.1484","0.1586","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021582","14.19","0.007","16.347","0.007","12.433","0.008","90","","93.14","0.05","90","","2880","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O8 -","- C31 H36 O8 -","- C124 H144 O32 -","4","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.1088","0.088","","","0.2403","0.2681","","","","","","1.033","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021583","19.1965","0.0008","19.6566","0.0008","28.9209","0.0011","90","","90","","90","","10913","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H72 O15 -","- C52 H72 O15 -","- C416 H576 O120 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54248","CuKα","","0.1291","0.1078","","","0.2116","0.2221","","","","","","1.453","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021584","8.2262","0.0012","32.985","0.005","9.6563","0.0014","90","","101.254","0.003","90","","2569.8","0.7","298","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N O3 Si -","- C25 H39 N O3 Si -","- C100 H156 N4 O12 Si4 -","4","1","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0484","","","","0.0976","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021585","7.9142","0.0006","15.37","0.0013","13.0993","0.0011","90","","99.019","0.002","90","","1573.7","0.2","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H41 N O6 -","- C35 H41 N O6 -","- C70 H82 N2 O12 -","2","1","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0654","","","","0.1142","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021586","14.0513","0.0009","14.5754","0.0009","15.3593","0.0009","90","","113.306","0.001","90","","2889","0.3","100","1","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N O6 -","- C30 H39 N O6 -","- C120 H156 N4 O24 -","4","2","","Yan Zhang; Yongqiang Wang; Wei-Min Dai","Efficient Remote Axial-to-Central Chirality Transfer in Enantioselective SmI~2~-Mediated Reductive Coupling of Aldehydes with Crotonates of Atropisomeric 1-Naphthamides","Journal of Organic Chemistry","2006","71","","2445","2455","10.1021/jo0526486","","","0.71069","MoKα","","","0.0558","","","","0.1017","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021587","11.1336","0.001","8.6732","0.001","12.584","0.001","90","","111.078","0.004","90","","1133.86","0.19","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","Paquette 1399","","","- C10 H9 Br2 N O2 S -","- C10 H9 Br2 N O2 S -","- C40 H36 Br8 N4 O8 S4 -","4","1","","Robert D. Dura; Leo A. Paquette","Ring Contraction of Bridgehead Sultams by Photoinduced Di-π-methane Rearrangement","Journal of Organic Chemistry","2006","71","","2456","2459","10.1021/jo0526587","","x-ray","0.71073","MoKα","","0.0426","0.0346","","","0.0816","0.0857","","","","","","1.168","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021588","9.2219","0.0005","10.6484","0.0005","17.6602","0.0009","90","","90","","90","","1734.2","0.15","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 I N S2 -","- C16 H26 I N S2 -","- C64 H104 I4 N4 S8 -","4","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0201","0.0197","","","0.0466","0.0469","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021589","10.616","0.003","6.7014","0.0018","10.72","0.003","90","","98.568","0.002","90","","754.1","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O S2 -","- C15 H23 N O S2 -","- C30 H46 N2 O2 S4 -","2","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0417","0.0365","","","0.0818","0.0873","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021590","11.612","0.0008","12.0439","0.0008","15.4007","0.001","71.055","0.001","82.179","0.001","74.449","0.001","1959.8","0.2","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 F6 N2 O10 S2 -","- C39 H34 F6 N2 O10 S2 -","- C78 H68 F12 N4 O20 S4 -","2","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0674","0.0581","","","0.1622","0.1726","","","","","","1.037","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021591","10.3548","0.0005","10.9171","0.0005","23.6507","0.0012","90","","100.572","0.001","90","","2628.2","0.2","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F3 N O8 S -","- C26 H26 F3 N O8 S -","- C104 H104 F12 N4 O32 S4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0594","0.0388","","","0.088","0.1001","","","","","","1.016","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4021592","17.3671","0.0006","9.9897","0.0004","21.4536","0.0008","90","","107.871","0.001","90","","3542.4","0.2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 F3 N2 O7 S -","- C38 H35 F3 N2 O7 S -","- C152 H140 F12 N8 O28 S4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0752","0.0448","","","0.0951","0.1122","","","","","","1.028","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021593","36.9551","0.0017","7.1733","0.0003","27.3839","0.0013","90","","129.196","0.001","90","","5625.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 F3 N2 O7 S -","- C27 H29 F3 N2 O7 S -","- C216 H232 F24 N16 O56 S8 -","8","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0745","0.0535","","","0.1267","0.1399","","","","","","1.047","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021594","5.9464","0.0004","27.0732","0.0016","11.6485","0.0007","90","","97.713","0.001","90","","1858.3","0.2","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0559","0.041","","","0.0976","0.1067","","","","","","1.02","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021595","17.154","0.002","11.0034","0.0015","9.1402","0.0013","90","","99.719","0.002","90","","1700.5","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2587","2599","10.1021/jo052335a","","","0.71073","MoKα","","0.0842","0.0603","","","0.1469","0.1625","","","","","","1.08","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021596","14.2781","0.0006","7.141","0.0003","25.8872","0.001","90","","102.004","0.001","90","","2581.74","0.18","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C124 H116 N4 O20 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0795","0.041","","","0.0866","0.1062","","","","","","1.026","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021597","12.552","0.002","20.667","0.004","17.58","0.003","90","","110.226","0.003","90","","4279.3","1.2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N2 O4 Si2 -","- C46 H56 N2 O4 Si2 -","- C184 H224 N8 O16 Si8 -","4","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0818","0.0673","","","0.1687","0.1795","","","","","","1.125","","","","has coordinates,has disorder","178393","2020-10-21","18:00:00",""
"4021598","10.2084","0.0005","11.64","0.0006","13.0573","0.0006","110.317","0.001","97.001","0.001","113.599","0.001","1270.4","0.11","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C68 H60 N4 O4 -","2","1","","Larry E. Overman; Donald A. Watson","Diastereoselection in the Formation of Contiguous Quaternary Carbon Stereocenters by the Intramolecular Heck Reaction","Journal of Organic Chemistry","2006","71","","2600","2608","10.1021/jo0523363","","","0.71073","MoKα","","0.0626","0.0422","","","0.0975","0.1054","","","","","","1.04","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021599","22.432","0.005","17.535","0.005","14.577","0.005","90","0.005","106.457","0.005","90","0.005","5499","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H62 Cl2 N2 O9 -","- C65 H62 Cl2 N2 O9 -","- C260 H248 Cl8 N8 O36 -","4","1","","Menozzi, Edoardo; Busi, Marco; Massera, Chiara; Ugozzoli, Franco; Zuccaccia, Daniele; Macchioni, Alceo; Dalcanale, Enrico","Metal-Directed Self-Assembly of Cavitand Frameworks","Journal of Organic Chemistry","2006","71","7","2617","2624","10.1021/jo052460m","","","1.54184","CuKα","","0.1007","0.0738","","","0.2124","0.2323","","","","","","1.051","","","","has coordinates","219239","2020-10-21","18:00:00",""
"4021600","23.56","0.08","8.59","0.03","17.47","0.06","90","","129","0.1","90","","2746","16","123.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.089","","","","0.13","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021601","7.481","0.003","10.144","0.004","12.684","0.005","88.68","0.03","87.48","0.03","113.86","0.03","878.6","0.6","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F4 N3 O2 -","- C19 H18 B F4 N3 O2 -","- C38 H36 B2 F8 N6 O4 -","2","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.033","","","","0.046","","","","","","1.267","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021602","17.01","0.02","8.178","0.008","21.42","0.02","90","","90","","90","","2980","5","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C152 H152 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.038","","","","0.045","","","","","","1.018","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021603","9.4851","0.0005","9.7208","0.0005","14.4288","0.0008","90","","107.39","0.003","90","","1269.57","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 S2 -","- C12 H20 O2 S2 -","- C48 H80 O8 S8 -","4","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.086","0.0757","","","0.1889","0.1964","","","","","","1.049","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021604","7.6871","0.0003","16.3111","0.0006","18.5766","0.0009","90","","90","","90","","2329.23","0.17","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 S2 -","- C11 H18 O2 S2 -","- C88 H144 O16 S16 -","8","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0616","0.0446","","","0.0988","0.1069","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021605","9.7096","0.0002","9.007","0.0003","12.966","0.0003","90","","110.406","0.002","90","","1062.77","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O2 S2 -","- C10 H14 O2 S2 -","- C40 H56 O8 S8 -","4","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0408","0.038","","","0.1112","0.1142","","","","","","1.101","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021606","10.556","","10.556","","16.477","","90","","90","","120","","1590","","180","2","180","2","","","","","","","","5","P 31","P 31","144","","","","- C19 H29 N O3 S3 -","- C19 H29 N O3 S3 -","- C57 H87 N3 O9 S9 -","3","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0435","0.038","","","0.1063","0.113","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021607","13.91","0.005","13.723","0.005","14.141","0.005","90","","107.326","0.006","90","","2577","1.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 B F2 N3 O4 -","- C27 H24 B F2 N3 O4 -","- C108 H96 B4 F8 N12 O16 -","4","0.5","","Xin Qi; Eun Jin Jun; Li Xu; Sung-Jin Kim; Jay Sung Joong Hong; Yeo Joon Yoon; Juyoung Yoon","New BODIPY Derivatives as OFF-ON Fluorescent Chemosensor and Fluorescent Chemodosimeter for Cu^2+^: Cooperative Selectivity Enhancement toward Cu^2+^","Journal of Organic Chemistry","2006","71","","2881","2884","10.1021/jo052542a","","","0.71073","MoKα","","0.0844","0.0733","","","0.2197","0.2305","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021608","14.3644","0.0011","7.036","0.0006","21.5242","0.0018","90","","90.866","0.002","90","","2175.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B F2 N3 O2 -","- C23 H22 B F2 N3 O2.01 -","- C92 H88 B4 F8 N12 O8.04 -","4","1","","Xin Qi; Eun Jin Jun; Li Xu; Sung-Jin Kim; Jay Sung Joong Hong; Yeo Joon Yoon; Juyoung Yoon","New BODIPY Derivatives as OFF-ON Fluorescent Chemosensor and Fluorescent Chemodosimeter for Cu^2+^: Cooperative Selectivity Enhancement toward Cu^2+^","Journal of Organic Chemistry","2006","71","","2881","2884","10.1021/jo052542a","","","0.71073","MoKα","","0.0896","0.063","","","0.1881","0.2111","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021609","7.365","0.0015","12.969","0.003","9.831","0.002","90","","96.68","0.03","90","","932.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","","Dusan Hesek; Bruce C. Noll; Shahriar Mobashery","Side Reaction of Significance in Preparation of Peptide- or Peptidomimetic-Based Hydroxamate Enzyme Inhibitors","Journal of Organic Chemistry","2006","71","","2885","2887","10.1021/jo052546f","","","0.71073","MoKα","","0.0303","0.0301","","","0.0845","0.0849","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021610","11.208","0.004","13.751","0.001","11.681","0.002","90","","108.96","0.02","90","","1702.6","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F6 O -","- C20 H20 F6 O -","- C80 H80 F24 O4 -","4","1","","Julia Leuger; Gaëlle Blond; Roland Fröhlich; Thierry Billard; Günter Haufe; Bernard R. Langlois","Synthetic Applications of α-Fluoroalkylated Enones. 1. Use as Dienophiles in Diels-Alder Cycloadditions","Journal of Organic Chemistry","2006","71","","2735","2739","10.1021/jo052567+","","","1.54178","CuKα","","0.0748","0.046","","","0.1304","0.1425","","","","","","1.004","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021611","7.985","0.002","11.404","0.002","12.996","0.003","113.74","0.03","92.24","0.03","104.11","0.03","1038","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","10-benzyloxy-1,2,3-trimethoxy-6,7-(methylene-1,3-dioxy) anthracene","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","","Piotr Bałczewski; Marek Koprowski; Agnieszka Bodzioch; Bernard Marciniak; Ewa Róžycka-Sokołowska","Unusual Transformation of the Diarylmethanol Derivative into an Unknown 1,2,3,6,7,10-Hexahydroxylated Anthracene System","Journal of Organic Chemistry","2006","71","","2899","2902","10.1021/jo052599x","","","1.5418","CuKα","","0.0609","0.0549","","","0.1484","0.1548","","","","","","1.056","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021612","12.252","0.004","13.211","0.004","17.676","0.005","90","","102.16","0.02","90","","2796.9","1.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 N4 O3 S -","- C27 H40 N4 O3 S -","- C108 H160 N16 O12 S4 -","4","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1816","0.0467","","","0.0835","0.0922","","","","","","0.867","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021613","12.193","0.0014","12.6276","0.0016","15.837","0.002","90","","99.091","0.003","90","","2407.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N3 O4 S -","- C26 H29 N3 O4 S -","- C104 H116 N12 O16 S4 -","4","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.0912","0.0531","","","0.1016","0.1108","","","","","","1.071","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021614","10.96","0.002","11.071","0.0019","11.696","0.002","78.064","0.006","67.686","0.005","72.148","0.006","1243.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O3 S2 -","- C28 H27 N3 O3 S2 -","- C56 H54 N6 O6 S4 -","2","1","","Alexey P. Ilyn; Marina V. Loseva; Vladimir Y. Vvedensky; Elena B. Putsykina; Sergey E. Tkachenko; Dmitri V. Kravchenko; Alexandr V. Khvat; Mikhail Y. Krasavin; Alexandre V. Ivachtchenko","One-Step Assembly of Carbamoyl-Substituted Heteroannelated [1,4]Thiazepines","Journal of Organic Chemistry","2006","71","","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.0862","0.0589","","","0.1203","0.1284","","","","","","1.062","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021615","8.7276","0.0001","10.6514","0.0001","21.8479","0.0002","90","","90","","90","","2031.01","0.04","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.0481","0.046","","0.1286","","0.1264","","","1.016","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021616","10.106","0.003","10.272","0.004","19.673","0.006","90","","90","","90","","2042.2","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.039","0.0369","","0.103","","0.1015","","","1.041","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021617","12.4409","0.0002","6.8426","0.0001","19.0551","0.0003","90","","93.003","0.001","90","","1619.9","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C32 H43 N2 O9 P -","- C32 H43 N2 O9 P -","- C64 H86 N4 O18 P2 -","2","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54178","CuKα","","0.0707","0.0601","","","0.1449","0.1498","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021618","7.3743","0.0009","10.88","0.0013","13.1998","0.0016","86.359","0.002","78.295","0.002","78.992","0.002","1017.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Br N O4 -","- C22 H28 Br N O4 -","- C44 H56 Br2 N2 O8 -","2","1","","Douglass F. Taber; Karen V. Taluskie","Computationally Guided Organometallic Chemistry: Preparation of the Heptacyclic Pyrazine Core of Ritterazine N","Journal of Organic Chemistry","2006","71","","2797","2801","10.1021/jo052656m","","","0.71073","MoKα","","0.0574","0.0492","","","0.1235","0.1271","","","","","","1.115","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021619","10.356","0.004","14.18","0.006","14.807","0.005","102.64","0.04","103.02","0.04","110.17","0.04","1880.9","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H48 O14 -","- C40 H48 O14 -","- C80 H96 O28 -","2","1","","Katja Närhi; Johan Franzén; Jan-E. Bäckvall","An Unexpectedly Mild Thermal Alder-Ene-Type Cyclization of Enallenes","Journal of Organic Chemistry","2006","71","","2914","2917","10.1021/jo060013g","","","0.71073","MoKα","","0.0926","0.0519","","","0.137","0.1573","","","","","","0.957","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021620","6.3295","0.0016","11.365","0.003","13.908","0.003","90","","90","","90","","1000.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6-Amino-3-(β-D-2-deoxy-erythrofuranosyl)-2-fluuoropyridine","(2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)- tetrahydro-2-(hydroxymethyl)furan-3-ol","","- C10 H13 F N2 O3 -","- C10 H13 F N2 O3 -","- C40 H52 F4 N8 O12 -","4","1","","Zhenhua Sun; Shahadat Ahmed; Larry W. McLaughlin","Syntheses of Pyridine C-Nucleosides as Analogues of the Natural Nucleosides dC and dU","Journal of Organic Chemistry","2006","71","","2922","2925","10.1021/jo060066y","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","","0.0812","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021621","11.587","0.003","5.6641","0.0012","11.939","0.002","90","","96.922","0.004","90","","777.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 F3 O5 -","- C14 H17 F3 O5 -","- C28 H34 F6 O10 -","2","1","","Hua Wang; Xiaoming Zhao; Youhua Li; Long Lu","Asymmetric Synthesis of Four Isomers of 2-C-Trifluoromethylerythritol","Journal of Organic Chemistry","2006","71","","3278","3281","10.1021/jo052282x","","","0.71073","MoKα","","0.1372","0.0652","","","0.1564","0.2067","","","","","","0.772","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021622","7.3581","0.0007","6.781","0.0007","11.7266","0.0012","90","","102.121","0.005","90","","572.06","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","","Horacio F. Olivo; Ricardo Tovar-Miranda; Efraín Barragán","Synthesis of (-)-Stemoamide Using a Stereoselective anti-Aldol Step","Journal of Organic Chemistry","2006","71","","3287","3290","10.1021/jo052364l","","","0.71073","MoKα","","0.0512","0.0478","","","0.1223","0.1247","","","","","","1.257","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021623","11.6786","0.0014","24.579","0.003","10.7047","0.0012","90","","95.713","0.005","90","","3057.5","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 N5 O4 -","- C32 H43 N5 O4 -","- C128 H172 N20 O16 -","4","1","","Monika Mazik; Hüseyin Cavga","Carboxylate-Based Receptors for the Recognition of Carbohydrates in Organic and Aqueous Media","Journal of Organic Chemistry","2006","71","","2957","2963","10.1021/jo052479p","","","0.71073","MoKα","","0.0998","0.0525","","","0.1222","0.1385","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021624","7.773","0.0008","11.172","0.001","16.251","0.004","90","","90","","90","","1411.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl O4 -","- C14 H19 Cl O4 -","- C56 H76 Cl4 O16 -","4","1","","Vishwakarma Singh; Shantanu Pal; Shaikh M. Mobin","Cycloaddition between Electron-Deficient π-Systems, Photochemical and Radical-Induced Reactions: A Novel, General, and Stereoselective Route to Polyfunctionalized Bridged Bicyclo[2.2.2]octanes, Bicyclo[3.3.0]octanes, Bicyclo[4.2.0]octanes, and Tricyclo[4.3.1.0^3,7^]decanes","Journal of Organic Chemistry","2006","71","","3014","3025","10.1021/jo052544v","","","0.71073","MoKα","","0.0527","0.0351","","","0.0848","0.0938","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021625","8.1942","0.0006","8.9362","0.0006","13.4442","0.0009","93.782","0.001","93.303","0.001","116.375","0.001","875.88","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C46 H40 O4 -","2","1","","Chunmei Gao; Derong Cao; Sheyang Xu; Herbert Meier","Acid-Catalyzed Cyclization of Anthracenol Derivatives to Homotriptycenes","Journal of Organic Chemistry","2006","71","","3071","3076","10.1021/jo0526791","","","0.71073","MoKα","","0.0716","0.0424","","","0.101","0.1156","","","","","","1.013","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021626","13.122","0.003","8.981","0.0018","10.755","0.002","90","","123.76","0.03","90","","1053.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 I2 -","- C8 H10 I2 -","- C32 H40 I8 -","4","0.5","","Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi","Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","3154","3158","10.1021/jo060003f","","","0.71073","MoKα","","0.0839","0.0512","","","0.1425","0.1575","","","","","","0.991","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021627","7.6944","0.0015","15.719","0.003","25.11","0.005","90","","90","","90","","3037.2","1","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 I2 -","- C16 H12 I2 -","- C128 H96 I16 -","8","1","","Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi","Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","3154","3158","10.1021/jo060003f","","","0.71073","MoKα","","0.0667","0.0365","","","0.073","0.0793","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021628","13.345","0.003","8.431","0.004","41.094","0.004","90","","90","","90","","4624","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N4 O4 -","- C23 H25 B F2 N4 O4 -","- C184 H200 B8 F16 N32 O32 -","8","1","","Raymond Ziessel; Laure Bonardi; Pascal Retailleau; Gilles Ulrich","Isocyanate-, Isothiocyanate-, Urea-, and Thiourea-Substituted Boron Dipyrromethene Dyes as Fluorescent Probes","Journal of Organic Chemistry","2006","71","","3093","3102","10.1021/jo0600151","","x-ray","1.5418","Cukα","","0.076","0.051","","","0.1363","0.1529","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021629","11.4564","0.0004","11.4564","0.0004","16.2373","0.0012","90","","90","","120","","1845.61","0.16","298","2","298","2","","","","","","","","6","P 32","P 32","145","","","","- C23 H24 F5 N O4 S2 -","- C23 H24 F5 N O4 S2 -","- C69 H72 F15 N3 O12 S6 -","3","1","","Jeremy P. Scott; Steven F. Oliver; Karel M. J. Brands; Sarah E. Brewer; Antony J. Davies; Andrew D. Gibb; David Hands; Stephen P. Keen; Faye J. Sheen; Robert A. Reamer; Robert D. Wilson; Ulf-H. Dolling","Practical Asymmetric Synthesis of a γ-Secretase Inhibitor Exploiting Substrate-Controlled Intramolecular Nitrile Oxide-Olefin Cycloaddition","Journal of Organic Chemistry","2006","71","","3086","3092","10.1021/jo060033i","","","0.71073","MoKα","","0.0617","0.0456","","","0.1025","0.1104","","","","","","1.031","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021630","8.367","0.005","11.281","0.007","13.2","0.005","65.18","0.04","79.23","0.04","69.25","0.04","1056.5","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","PYRENE AMINO ACID","N-(1-pyrenyl)-2-aminobenzoic acid","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Christian Wolf; Shuanglong Liu; Xuefeng Mei; Adam T. August; Michael D. Casimir","Regioselective Copper-Catalyzed Amination of Bromobenzoic Acids Using Aliphatic and Aromatic Amines","Journal of Organic Chemistry","2006","71","","3270","3273","10.1021/jo060034a","","","0.71073","MoKα","","0.081","0.0504","","","0.1295","0.1393","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021631","13.7819","0.0002","16.2114","0.0002","18.7744","0.0003","71.381","0.005","87.314","0.005","85.678","0.005","3962.7","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 Ni O2 -","- C54 H36 N4 Ni O2 -","- C216 H144 N16 Ni4 O8 -","4","2","","Christophe Jeandon; Romain Ruppert; Henry J. Callot","Acylation of Nickel meso-Tetraarylporphyrins: Porphyrin to Corrole Ring Contraction and Formation of seco-Porphyrins","Journal of Organic Chemistry","2006","71","","3111","3120","10.1021/jo0600499","","","0.71073","Mo-Kα","","0.121","0.046","","0.187","","0.063","","","3.434","","","1.071","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021632","16.52","0.0006","18.257","0.0009","14.923","0.0009","90","","114.974","0.002","90","","4080","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 N4 Ni O2 -","- C55 H38 N4 Ni O2 -","- C220 H152 N16 Ni4 O8 -","4","1","","Christophe Jeandon; Romain Ruppert; Henry J. Callot","Acylation of Nickel meso-Tetraarylporphyrins: Porphyrin to Corrole Ring Contraction and Formation of seco-Porphyrins","Journal of Organic Chemistry","2006","71","","3111","3120","10.1021/jo0600499","","","0.71073","MoKα","","0.13","0.0828","","","0.1559","0.1742","","","","","","1.061","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021633","7.4498","0.0003","10.6899","0.0004","11.6023","0.0003","90","","90","","90","","923.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ferrocenyl azide","","- C10 H9 Fe N3 -","- C10 H9 Fe N3 -","- C40 H36 Fe4 N12 -","4","1","","Peter Walla; Vladimir B. Arion; Udo H. Brinker","Solvent- and Temperature-Tuned Orientation of Ferrocenyl Azide Inside β-Cyclodextrin","Journal of Organic Chemistry","2006","71","","3274","3277","10.1021/jo060102t","","","0.71073","MoKα","","0.0153","0.0148","","","0.039","0.0392","","","","","","1.067","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021634","28.769","0.005","7.5895","0.0013","21.58","0.004","90","","101.375","0.003","90","","4619.4","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr O4 -","- C12 H10 Cr O4 -","- C192 H160 Cr16 O64 -","16","2","","Hechun Lin; Qian Chen; Lidong Cao; Li Yang; Yun-Dong Wu; Chaozhong Li","Effect of M(CO)~3~ (M = Cr, Mn^+^) on Aromatic C-Cl BDE in (η-ArCl)M(CO)~3~ Complexes","Journal of Organic Chemistry","2006","71","","3328","3331","10.1021/jo060154i","","","0.71073","MoKα","","0.108","0.0532","","","0.0971","0.1116","","","","","","0.818","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021635","12.035","0.002","9.5555","0.0018","13.675","0.003","90","","110.512","0.003","90","","1472.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cr N O3 -","- C15 H15 Cr N O3 -","- C60 H60 Cr4 N4 O12 -","4","1","","Hechun Lin; Qian Chen; Lidong Cao; Li Yang; Yun-Dong Wu; Chaozhong Li","Effect of M(CO)~3~ (M = Cr, Mn^+^) on Aromatic C-Cl BDE in (η-ArCl)M(CO)~3~ Complexes","Journal of Organic Chemistry","2006","71","","3328","3331","10.1021/jo060154i","","","0.71073","MoKα","","0.1432","0.0565","","","0.1234","0.1435","","","","","","0.769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021636","5.6458","0.0002","14.9698","0.0004","22.167","0.0006","90","","90","","90","","1873.48","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0365","0.0318","","","0.0813","0.0879","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021637","10.9426","0.0002","5.4801","0.0001","27.9676","0.0006","90","","97.52","0.002","90","","1662.7","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0525","0.0453","","","0.1644","0.1919","","","","","","1.068","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021638","15.969","0.0016","5.852","0.0006","21.143","0.002","90","","109.744","0.004","90","","1859.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N O5 -","- C19 H22 B N O5 -","- C76 H88 B4 N4 O20 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0971","0.0662","","","0.1579","0.1729","","","","","","1.105","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021639","8.8777","0.0002","9.1491","0.0002","17.359","0.0004","90","","90","","90","","1409.95","0.05","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0544","0.0416","","0.0533","","0.051","","","1.314","","","1.446","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021640","7.561","0.0002","16.2981","0.0004","17.611","0.0005","90","","90","","90","","2170.2","0.09","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0624","0.0393","","0.0451","","0.0403","","","0.955","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021641","7.7972","0.0001","8.4637","0.0001","18.482","0.0004","90","","90","","90","","1219.69","0.03","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0594","0.041","","0.0512","","0.048","","","1.202","","","1.321","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021642","5.7154","0.0004","28.899","0.002","7.9525","0.0006","90","","101.967","0.003","90","","1285","0.2","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1643","0.0729","","0.0807","","0.0672","","","1.689","","","1.898","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021643","14.4024","0.0003","6.3863","0.0001","18.4534","0.0005","90","","105.924","0.001","90","","1632.18","0.06","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0672","0.0444","","0.06","","0.0554","","","1.27","","","1.455","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021644","8.0557","0.0001","12.5","0.0002","19.094","0.0004","91.8994","0.0007","96.6238","0.0007","103.216","0.0009","1855.75","0.05","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C78 H84 N12 O12 -","6","3","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1299","0.0436","","0.0575","","0.0423","","","0.929","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021645","6.4005","0.0002","9.6092","0.0003","16.9445","0.0007","97.81","0.001","93.968","0.001","91.459","0.003","1029.37","0.06","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0992","0.0399","","0.0539","","0.0426","","","0.93","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021646","7.6385","0.0001","11.8594","0.0001","29.2414","0.0004","90","","90","","90","","2648.92","0.05","200","","200","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","","0.0353","","","","0.0381","","","","","","1.0422","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021647","12.7675","0.0001","15.2014","0.0001","19.6121","0.0002","90","","90","","90","","3806.39","0.06","200","","200","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H60 N2 O5 S -","- C39 H60 N2 O5 S -","- C156 H240 N8 O20 S4 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","0.0517","0.0276","","0.0385","0.0307","0.0307","","","","","","1.126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021648","9.1846","0.0005","12.2299","0.0007","13.6313","0.0008","90","","90","","90","","1531.16","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C56 H100 N4 O24 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0587","0.05","","","0.1282","0.1357","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021649","9.2158","0.0004","9.2268","0.0004","36.499","0.0016","90","","90","","90","","3103.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.079","0.0576","","","0.1317","0.1441","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021650","10.0458","0.0005","15.1747","0.0008","20.8717","0.0011","90","","90","","90","","3181.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.1008","0.0574","","","0.1263","0.1462","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021651","11.7344","0.0007","13.0317","0.0008","10.7158","0.0006","90","","90","","90","","1638.65","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 N O7 -","- C14 H25 N O7 -","- C56 H100 N4 O28 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0756","0.0628","","","0.1485","0.1573","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021652","5.5578","0.0005","14.2895","0.0012","8.6246","0.0007","90","","102.443","0.002","90","","668.9","0.1","150","","150","","","","","","","","?","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cl4 O2 -","- C2 Cl4 O2 -","- C8 Cl16 O8 -","4","1","","Valeria B. Arce; Carlos O. Della Védova; Anthony J. Downs; Simon Parsons; Rosana M. Romano","Trichloromethyl Chloroformate (""Diphosgene""), ClC(O)OCCl~3~: Structure and Conformational Properties in the Gaseous and Condensed Phases","Journal of Organic Chemistry","2006","71","","3423","3428","10.1021/jo052260a","","","0.71073","MoKα","","","0.0248","","","","0.0271","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021653","11.073","0.002","11.844","0.002","17.13","0.003","106.076","0.003","99.448","0.003","90.43","0.003","2126.1","0.7","298","2","298","2","","","","","","","","5","P 1","P 1","1","","Methyl-4-O-(2,3-di-O-benzyl-4,6-O-[1-cyano-2-(2-iodophenyl)] ethylidene-β-D-mannopyranosyl)-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C47 H52 I N10 O12 -","- C43 H53.5 I N O11 -","- C86 H107 I2 N2 O22 -","2","2","","David Crich; Albert A. Bowers","4,6-O-[1-Cyano-2-(2-iodophenyl)ethylidene] Acetals. Improved Second-Generation Acetals for the Stereoselective Formation of β-D-Mannopyranosides and Regioselective Reductive Radical Fragmentation to β-D-Rhamnopyranosides. Scope and Limitations","Journal of Organic Chemistry","2006","71","","3452","3463","10.1021/jo0526688","","","0.71073","MoKα","","0.128","0.0686","","","0.1384","0.1656","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021654","9.519","0.008","11.715","0.014","14.964","0.005","104.5","0.06","106.22","0.04","100.07","0.09","1497","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1SR,2RS,3RS,3aSR,8aSR)-5,6,5,6-tetramethoxy-1,3-di(4-pyridyl)- 3a,8a-dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)-indene}-1,8(3H)-dione","","- C34 H32 N2 O7 -","- C34 H30 N2 O7 -","- C68 H60 N4 O14 -","2","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71069","MoKα","","0.6403","0.0486","","","0.057","0.1663","","","","","","0.671","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021655","11.904","0.005","21.892","0.011","11.857","0.008","90","","106.53","0.03","90","","2962","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1SR,2RS,3RS,3aSR,8aSR)-5,6,5,6-tetramethoxy-1,3-diphenyl- 3a,8a-dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)indene}-1,8(3H)-dione","","- C36 H32 O6 -","- C36 H32 O6 -","- C144 H128 O24 -","4","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.3089","0.0519","","","0.0516","0.0835","","","","","","0.811","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021656","20.518","0.006","14.615","0.005","15.355","0.007","90","","103.29","0.02","90","","4481","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,3SR,3aSR,8aSR)-1,3-di(2-pyridyl)-3a,8a- dihydrospiro{cyclopenta[a]indene- 2,2(1H,3H)-indene}-1,8(3H)-dione","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C240 H176 N16 O16 -","8","2","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.2293","0.0383","","","0.0373","0.0555","","","","","","0.769","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021657","12.426","0.009","17.622","0.005","10.968","0.009","90","","105.33","0.06","90","","2316","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,3RS,3aSR,8aSR)-1,3-di(2-pyridyl)3a,8a- dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)-indene}-1,8(3H)-dione","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","1","","Pelayo Camps; Luis R. Domingo; Xavier Formosa; Carles Galdeano; Diana González; Diego Muñoz-Torrero; Sílvia Segalés; Mercè Font-Bardia; Xavier Solans","Highly Diastereoselective One-Pot Synthesis of Spiro{cyclopenta[a]indene-2,2'-indene}diones from 1-Indanones and Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","3464","3471","10.1021/jo0600095","","","0.71073","MoKα","","0.5684","0.0323","","","0.0331","0.12","","","","","","0.662","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021658","28.734","0.005","9.253","0.005","25.67","0.005","90","0.005","119.869","0.005","90","0.005","5918","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 O4 S Se Si -","- C30 H36 O4 S Se Si -","- C240 H288 O32 S8 Se8 Si8 -","8","1","","Philippe James; Kurt Schenk; Yannick Landais","Radical-Mediated 5-Exo-Trig Cyclizations of 3-Silylhepta-1,6-dienes","Journal of Organic Chemistry","2006","71","","3630","3633","10.1021/jo060024+","","","0.71069","MoKα","","0.1548","0.1419","","","0.4052","0.4093","","","","","","3.204","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021659","35.397","0.003","8.1002","0.0007","13.1578","0.0012","90","","93.618","0.002","90","","3765.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","04058a","","","- C18 H25 N O3 S2 -","- C18 H25 N O3 S2 -","- C144 H200 N8 O24 S16 -","8","1","","William G. O'Neal; William P. Roberts; Indranath Ghosh; Hui Wang; Peter A. Jacobi","Studies in Chlorin Chemistry. 3. A Practical Synthesis of C,D-Ring Symmetric Chlorins of Potential Utility in Photodynamic Therapy","Journal of Organic Chemistry","2006","71","","3472","3480","10.1021/jo060041z","","","0.71073","MoKα","","0.0686","0.0536","","","0.1351","0.1441","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021660","22.3786","0.001","16.5405","0.0007","11.1443","0.0005","90","","103.305","0.001","90","","4014.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-[2,3-diphenyl-4-(2,2,2-trifluoroacetyl)piperazino]-2,2,2-trifluoro-1-ethanone","1-[2,3-diphenyl-4-(2,2,2-trifluoroacetyl)piperazino]-2,2,2-trifluoro-1-ethanone","","- C20 H16 F6 N2 O2 -","- C20 H16 F6 N2 O2 -","- C160 H128 F48 N16 O16 -","8","2","","Pothiappan Vairaprakash; Mariappan Periasamy","A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine","Journal of Organic Chemistry","2006","71","","3636","3638","10.1021/jo060083n","","","0.71073","MoKα","","0.158","0.0799","","","0.2291","0.2847","","","","","","1.02","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021661","9.2088","0.001","35.387","0.004","6.2519","0.0007","90","","90","","90","","2037.3","0.4","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanediote","(2S,3S)-2,3-diphenylhexahydropyrazinediium(2R,3R)-2,3-dihydroxybutanedioate","","- C20 H28 N2 O8 -","- C20 H28 N2 O8 -","- C80 H112 N8 O32 -","4","1","","Pothiappan Vairaprakash; Mariappan Periasamy","A Simple Method of Synthesis of (±)-2,3-Diarylpiperazines and a Novel Method of Resolution of (±)-2,3-Diphenylpiperazine","Journal of Organic Chemistry","2006","71","","3636","3638","10.1021/jo060083n","","","0.71073","MoKα","","0.0562","0.0483","","","0.1071","0.1108","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021662","9.841","0.0005","9.841","0.0005","22.1322","0.0013","90","","90","","120","","1856.24","0.17","293","2","293","2","","","","","","","","5","P 65","P 65","170","","R-2-Oxo-2-phenyl-benzo[c][1,2]thiazin-8-ol","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C84 H66 N6 O12 S6 -","6","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0316","0.0273","","","0.0692","0.0712","","","","","","1.053","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021663","8.4357","0.0019","18.756","0.004","9.093","0.002","90","","110.79","0.004","90","","1345","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 N O5 P S -","- C30 H28 N O5 P S -","- C60 H56 N2 O10 P2 S2 -","2","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0683","0.0546","","","0.1269","0.1357","","","","","","1.05","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021664","13.6913","0.0018","15.254","0.002","18.401","0.002","90","","90","","90","","3843.2","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C144 H116 Cd4 Cl8 I8 N12 O16 S8 -","4","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0584","0.0393","","","0.07","0.0758","","","","","","1.024","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021665","9.7558","0.0009","9.0365","0.0009","26.814","0.003","90","","90","","90","","2363.8","0.4","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C128 H112 N16 -","8","1","","Norio Sakai; Kimiyoshi Annaka; Takeo Konakahara","Direct Synthesis of Polysubstituted Quinoline Derivatives by InBr~3~-Promoted Dimerization of 2-Ethynylaniline Derivatives","Journal of Organic Chemistry","2006","71","","3653","3655","10.1021/jo060245f","","","0.71073","MoKα","","0.0623","0.0526","","","0.1422","0.1714","","","","","","1.146","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021666","11.253","0.001","39.851","0.006","20.366","0.003","90","","94.469","0.003","90","","9105","2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-[9-Methyl-2-(4-phenoxy-phenyl)-6,7,8,9-tetrahydro- 5H-pyrido[2,3-b]azepin-4-yl]-benzonitrile","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C464 H400 N48 O16 -","16","8","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.1726","0.0735","","","0.1356","0.1718","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021667","11.4985","0.0002","8.2319","0.0001","19.1003","0.0003","90","","95.956","0.001","90","","1798.17","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[6-(4-Methoxy-phenyl)-1-methyl-2,3-dihydro-1H-pyrrolo [2,3-b]pyridin-4-yl]-benzonitrile","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0421","0.0324","","","0.0807","0.0879","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021668","6.9223","0.0004","11.9648","0.0007","18.529","0.001","90","","90","","90","","1534.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(4-Methoxy-phenyl)-1-methyl-4-pyrimidin-2-yl-2,3-1H-pyrrolo[2,3-b]pyrimidine","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0389","0.0379","","","0.1003","0.1013","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021669","11.415","0.003","10.313","0.003","18.66","0.005","90","","93.896","0.007","90","","2191.6","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-(4-Phenoxy-phenyl)-8-methyl-5,6,7,8-tetrahydro- [1,8]naphthyridin-4-yl]-benzonitrile","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0551","0.0387","","","0.0937","0.1018","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021670","8.9544","0.0006","10.4943","0.0007","11.4673","0.0009","66.502","0.002","71.853","0.002","67.098","0.002","894.61","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxy-phenyl)-9-methyl-4-pyridin-2-yl-6,7,8,9- tetrahydro-5H-pyrido[2,3-b]azepine","","- C22 H23 N3 O -","- C22 H23 N3 O -","- C44 H46 N6 O2 -","2","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0564","0.0404","","","0.1055","0.1131","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021671","30.991","0.0003","6.095","0.0001","26.505","0.0005","90","","125.089","0.0006","90","","4096.64","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N O4 -","- C22 H27 N O4 -","- C176 H216 N8 O32 -","8","1","","Alphonse Tenaglia; Sylvain Marc","CpRuCl(PPh~3~)~2~-Catalyzed Cyclopropanation of Bicyclic Alkenes with Tertiary Propargylic Acetates","Journal of Organic Chemistry","2006","71","","3569","3575","10.1021/jo060276a","","","0.71073","MoKα","","0.1255","0.0667","","","0.1846","0.2282","","","","","","1.032","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021672","9.7776","0.0005","13.6558","0.0005","9.8864","0.0005","90","","101.014","0.0006","90","","1295.7","0.1","173.2","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C34 H34 N2 -","- C34 H34 N2 -","- C68 H68 N4 -","2","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0505","","","","0.1505","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021673","8.545","0.002","17.764","0.005","11.252","0.002","90","","110.089","0.003","90","","1604","0.7","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0452","","","","0.1084","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021674","10.1556","0.0004","8.8798","0.0004","16.9199","0.0009","90","","89.478","0.001","90","","1525.8","0.1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0567","","","","0.139","","","","","","1.322","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021675","23.402","0.001","14.6147","0.0006","17.5801","0.0009","90","","137.473","0.0009","90","","4064.2","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C184 H216 N8 O32 -","8","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0462","","","","0.1365","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021676","10.124","0.004","14.703","0.005","11.485","0.004","90","","110.43","0.02","90","","1602","3","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N O2 -","- C20 H20 N O2 -","- C80 H80 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0446","","","","0.1358","","","","","","1.334","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021677","10.9945","0.0008","15.532","0.001","19.61","0.001","90","","103.689","0.0009","90","","3253.5","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.08","","","","0.2146","","","","","","1.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021678","10.5311","0.0005","11.2818","0.0007","13.3134","0.0007","90","0.003","108.86","0.002","90","0.003","1496.8","0.1","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.0634","","","","0.1805","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021679","9.92","0.0002","13.896","0.0003","17.005","0.0005","87.986","0.001","79.848","0.001","79.04","0.002","2265.32","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O -","- C13 H20 O -","- C104 H160 O8 -","8","4","","Kao-Hsien Shen; Ching-Fa Yao","Novel and Efficient Method for the Allylation of Carbonyl Compounds and Imines Using Triallylaluminum","Journal of Organic Chemistry","2006","71","","3980","3983","10.1021/jo052385f","","","0.71073","MoKα","","0.1253","0.0599","","","0.1589","0.1955","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021680","9.909","0.0002","13.439","0.0002","22.069","0.0004","90","","93.59","0.0007","90","","2933.1","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O4 -","- C34 H36 O4 -","- C136 H144 O16 -","4","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo M. Perna; Antonio Salomone","Synthesis of 1,3-Dihydrobenzo[c]furans from Ortho-Lithiated Aryloxiranes","Journal of Organic Chemistry","2006","71","","3984","3987","10.1021/jo052645t","","","0.71073","MoKα","","0.1131","0.0878","","","0.2571","0.2771","","","","","","1.083","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021681","6.5866","0.0007","10.7519","0.0011","25.662","0.003","90","","90","","90","","1817.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O6 -","- C17 H18 F3 N O6 -","- C68 H72 F12 N4 O24 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.0842","0.051","","","0.1079","0.1185","","","","","","0.83","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021682","9.2107","0.0012","10.4318","0.0013","20.222","0.003","90","","90","","90","","1943","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 N2 O5 -","- C17 H21 F3 N2 O5 -","- C68 H84 F12 N8 O20 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.1229","0.0457","","","0.0823","0.0972","","","","","","0.724","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021683","8.039","0.002","9.123","0.005","11.27","0.003","90","","96.06","0.02","90","","821.9","0.5","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.1214","0.0951","","","0.2396","0.2605","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021684","7.487","","8.4","","10.324","","90","","104.96","","90","","627.3","","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0653","0.0426","","","0.1141","0.1248","","","","","","1.042","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021685","9.183","0.001","9.649","0.001","14.829","0.003","89.13","0.01","73.905","0.01","61.905","0.01","1103.3","0.3","567","2","567","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C56 H58 N2 O4 -","2","2","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0638","0.0448","","","0.1138","0.1265","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021686","17.077","0.002","6.1","0.002","20.335","0.003","90","","94.74","0.02","90","","2111.1","0.8","294","2","294","2","","","","","","","synthesis as described","4","I 1 2 1","I 2y","5","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0789","0.0477","","","0.1137","0.1318","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021687","7.4204","0.001","9.7672","0.0013","10.349","0.013","90","","105.788","0.011","90","","721.8","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C32 H42 N2 O4 -","2","1","","Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch","Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines","Journal of Organic Chemistry","2006","71","","3804","3815","10.1021/jo060157v","","x-ray","0.71073","MoKα","","0.0875","0.0534","","","0.1275","0.146","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021688","7.1748","0.0001","12.322","0.0002","12.7561","0.0003","80.9493","0.0006","78.1764","0.0008","78.3594","0.0008","1073.17","0.03","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N-Diethylethanaminium (1E)-1,3-bis(2-chloro-4-nitrophenyl)triazenide","","- C18 H22 Cl2 N6 O4 -","- C18 H22 Cl2 N6 O4 -","- C36 H44 Cl4 N12 O8 -","2","1","","Andrej Virag; Anton Meden; Marijan Kočevar; Slovenko Polanc","Synthesis and Characterization of New Triazenide Salts","Journal of Organic Chemistry","2006","71","","4014","4017","10.1021/jo060178p","","","0.71073","MoKα","","","0.046","","","","0.041","","","","","","1.43","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021689","11.529","0.0002","13.8586","0.0003","17.0008","0.0003","90","","100.46","0.0013","90","","2671.18","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1E)-3-Ethoxy-N,N,N-triethyl-3-oxo-1-propen-1-aminium (1E)- 1,3-bis(2-chloro-4-nitrophenyl)triazenide","","- C23 H28 Cl2 N6 O6 -","- C23 H28 Cl2 N6 O6 -","- C92 H112 Cl8 N24 O24 -","4","1","","Andrej Virag; Anton Meden; Marijan Kočevar; Slovenko Polanc","Synthesis and Characterization of New Triazenide Salts","Journal of Organic Chemistry","2006","71","","4014","4017","10.1021/jo060178p","","","0.71073","MoKα","","","0.056","","","","0.053","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021690","5.7123","0.0011","11.521","0.002","19.939","0.004","90","","90","","90","","1312.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Jeff T. Suri; Susumu Mitsumori; Klaus Albertshofer; Fujie Tanaka; Carlos F. Barbas III","Dihydroxyacetone Variants in the Organocatalytic Construction of Carbohydrates: Mimicking Tagatose and Fuculose Aldolases","Journal of Organic Chemistry","2006","71","","3822","3828","10.1021/jo0602017","","","0.71073","MoKα","","0.0424","0.0356","","","0.0856","0.0896","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021691","20.703","0.002","5.5301","0.0005","7.6557","0.0008","90","","90","","90","","876.5","0.15","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H6 F2 O2 -","- C11 H6 F2 O2 -","- C44 H24 F8 O8 -","4","1","","Yi Wang; Donald J. Burton","A Facile, General Synthesis of 3,4-Difluoro-6-substituted-2-pyrones","Journal of Organic Chemistry","2006","71","","3859","3862","10.1021/jo060362a","","","0.71073","MoKα","","0.0566","0.0422","","","0.1002","0.1058","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021692","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021693","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021694","37.2189","0.0005","25.8102","0.0004","22.6434","0.0004","90","","115.247","0.001","90","","19674.1","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H111 N9 O15 S3 -","- C81 H105 N9 O15 S3 -","- C648 H840 N72 O120 S24 -","8","1","","David Coquière; Hélène Cadeau; Yannick Rondelez; Michel Giorgi; Olivia Reinaud","Ipso-Chlorosulfonylation of Calixarenes: A Powerful Tool for the Selective Functionalization of the Large Rim","Journal of Organic Chemistry","2006","71","","4059","4065","10.1021/jo052605p","","","0.71073","MoKα","","0.2169","0.1199","","","0.2893","0.3551","","","","","","1.055","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021695","6.05","0.001","9.625","0.002","21.19","0.004","90","","90","","90","","1233.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Lili Lin; Qian Fan; Bo Qin; Xiaoming Feng","Highly Enantio- and Diastereoselective Brassard Type Hetero-Diels-Alder Approach to 5-Methyl-Containing α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2006","71","","4141","4146","10.1021/jo060046w","","","0.71073","MoKα","","0.1337","0.047","","","0.055","0.0666","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021696","11.465","0.001","11.569","0.002","14.849","0.002","110.7","0.01","91.91","0.01","96.29","0.01","1825.8","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","2","","Renata Marcia de Figueiredo; Roland Fröhlich; Mathias Christmann","N,N'-Carbonyldiimidazole-Mediated Cyclization of Amino Alcohols to Substituted Azetidines and Other N-Heterocycles","Journal of Organic Chemistry","2006","71","","4147","4154","10.1021/jo060130b","","","1.54178","CuKα","","0.131","0.0749","","","0.1832","0.2267","","","","","","1.009","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021697","18.2861","0.0006","9.5825","0.0003","23.9084","0.0008","90","","110.824","0.001","90","","3915.7","0.2","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H38 Cl2 -","- C55 H38 Cl2 -","- C220 H152 Cl8 -","4","1","","Rajib Mondal; Bipin K. Shah; Douglas C. Neckers","Synthesis and Photophysical Properties of Dihydroheptacenes: New Blue-Emitting Materials","Journal of Organic Chemistry","2006","71","","4085","4091","10.1021/jo0601314","","","0.71073","MoKα","","0.0737","0.0625","","","0.1476","0.1541","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021698","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021699","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021700","6.8927","0.0001","8.8506","0.0002","12.6185","0.0003","75.92","0.001","80.014","0.001","75.82","0.001","718.59","0.03","100","2","100","2","","","","","","","synthesized","5","P 1","P 1","1","","","","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","- C26 H30 Cl2 N8 O6 -","1","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.0274","0.0264","","","0.0681","0.0689","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021701","11.2761","0.0005","23.5451","0.0009","26.7168","0.0011","90","","90","","90","","7093.2","0.5","100","2","100","2","","","","","","","synthesized","5","C 2 2 21","C 2c 2","20","","","","- C33 H45 Cl N5 O9 -","- C33 H43 Cl N5 O8 -","- C264 H344 Cl8 N40 O64 -","8","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.044","0.0368","","","0.0838","0.0868","","","","","","1.037","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021702","6.3331","0.0009","20.91","0.004","13.268","0.003","90","","103.735","0.006","90","","1706.8","0.6","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18.5 F3 N3 O8.25 -","- C13 H18.5 F3 N3 O8.25 -","- C52 H74 F12 N12 O33 -","4","2","","T. Santhosh Kumar; Andreas S. Madsen; Jesper Wengel; Patrick J. Hrdlicka","Synthesis and Hybridization Studies of 2'-Amino-α-L-LNA and Tetracyclic ""Locked LNA""","Journal of Organic Chemistry","2006","71","","4188","4201","10.1021/jo060331f","","","0.71073","MoKα","","0.1181","0.0899","","","0.2369","0.2551","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021703","13.449","0.002","20.433","0.004","9.746","0.003","90","","107.333","0.002","90","","2556.8","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(2-butylimidazol-1-yl)-2-chloropurine","","- C12 H13 Cl N6 -","- C12 H13 Cl N6 -","- C96 H104 Cl8 N48 -","8","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0413","0.0349","","","0.0928","0.0979","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021704","28.454","0.006","12.209","0.002","7.1539","0.0014","90","","95.85","0.03","90","","2472.3","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(1,2,4-triazol-4-yl)purine.pyridine","","- C12 H10 N8 -","- C12 H10 N8 -","- C96 H80 N64 -","8","2","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0511","0.0338","","","0.0904","0.1017","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021705","8.6769","0.0008","14.8384","0.0014","25.297","0.002","90","","90","","90","","3257","0.5","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","9-(5-O-acetyl-β-D-ribofuranosyl)-6-(imidazol-1-yl)purine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C120 H128 N48 O40 -","8","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0294","0.0289","","","0.0776","0.0782","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021706","9.702","0.003","10.67","0.003","29.835","0.008","90","","90","","90","","3088.4","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-2-chloro-6- (4,5-diphenylimidazol-1-yl)purine","","- C31 H27 Cl N6 O7 -","- C31 H27 Cl N6 O7 -","- C124 H108 Cl4 N24 O28 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0448","0.0281","","","0.0604","0.0675","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021707","9.9025","0.0017","13.057","0.0015","19.969","0.002","90","","90","","90","","2582","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","9-(5-O-tert-butyldimethylsilyl-2,3-dideoxy-3-iodo- β-D-threo-pentofuranosyl)-6-(2,5-dimethylpyrrol-1-yl)purine","","- C22 H32 I N5 O2 Si -","- C22 H32 I N5 O2 Si -","- C88 H128 I4 N20 O8 Si4 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0942","0.0488","","","0.0743","0.0863","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021708","5","0.001","9.13","0.002","10.483","0.003","90","","91.434","0.011","90","","478.4","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Paquette 1404","","","- C9 H18 O5 -","- C9 H18 O5 -","- C18 H36 O10 -","2","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0471","0.0389","","","0.0887","0.093","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021709","7.5","0.001","10.249","0.002","29.643","0.006","90","","90","","90","","2278.6","0.7","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Paquette 1365","","","- C22 H36 O6 Si -","- C22 H36 O6 Si -","- C88 H144 O24 Si4 -","4","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0664","0.0458","","","0.0992","0.1075","","","","","","1.069","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021710","11.2797","0.0011","11.9022","0.0011","13.0227","0.0012","90","","90","","90","","1748.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0442","0.0336","","","0.1008","0.1129","","","","","","0.826","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021711","14.553","0.004","13.477","0.003","11.77","0.003","90","","108.896","0.005","90","","2184","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0761","0.0524","","","0.1311","0.148","","","","","","0.931","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021712","10.2983","0.0008","10.946","0.0009","13.785","0.0012","90","","90","","90","","1553.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0778","0.0645","","","0.1901","0.2024","","","","","","1.45","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021713","6.9263","0.0006","12.6281","0.001","18.6474","0.0015","90","","90","","90","","1631","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0377","0.0346","","","0.1158","0.1195","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021714","24.233","0.005","13.861","0.003","18.487","0.004","90","","107.5","0.03","90","","5922","2","123","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C81 H46 Cl4 O12 -","- C81 H46 Cl4 O12 -","- C324 H184 Cl16 O48 -","4","1","","Fudong Wang; Zuo Xiao; Zhipeng Yao; Zhenshan Jia; Shaohua Huang; Liangbing Gan; Jiang Zhou; Gu Yuan; Shiwei Zhang","Lewis Acid Promoted Preparation of Isomerically Pure Fullerenols from Fullerene Peroxides C~60~(OOt-Bu)~6~ and C~60~(O)(OOt-Bu)~6~","Journal of Organic Chemistry","2006","71","","4374","4382","10.1021/jo060012o","","","0.71073","MoKα","","0.1739","0.082","","","0.1931","0.2205","","","","","","1.009","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021715","13.301","0.003","14.292","0.003","18.349","0.004","99.32","0.03","94.56","0.03","108.96","0.03","3222.5","1.1","123","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.5 H52 O13 S5 -","- C84.5 H52 O13 S5 -","- C169 H104 O26 S10 -","2","1","","Fudong Wang; Zuo Xiao; Zhipeng Yao; Zhenshan Jia; Shaohua Huang; Liangbing Gan; Jiang Zhou; Gu Yuan; Shiwei Zhang","Lewis Acid Promoted Preparation of Isomerically Pure Fullerenols from Fullerene Peroxides C~60~(OOt-Bu)~6~ and C~60~(O)(OOt-Bu)~6~","Journal of Organic Chemistry","2006","71","","4374","4382","10.1021/jo060012o","","","0.71073","MoKα","","0.1043","0.0773","","","0.2138","0.2317","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021716","12.427","0.003","12.482","0.003","20.495","0.004","78.28","0.03","89.97","0.03","78.6","0.03","3049","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cl2 N3 O4 -","- C32 H31 Cl2 N3 O4 -","- C128 H124 Cl8 N12 O16 -","4","2","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1537","0.0699","","","0.1747","0.2055","","","","","","1.011","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021717","12.156","0.002","13.886","0.003","17.364","0.004","90","","103.23","0.03","90","","2853.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Br2 N3 O3 -","- C30 H27 Br2 N3 O3 -","- C120 H108 Br8 N12 O12 -","4","1","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1427","0.0526","","","0.1225","0.1471","","","","","","0.833","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021718","17.945","0.004","8.919","0.0018","28.366","0.006","90","","105.7","0.03","90","","4370.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 Br2 Cl N3 O4 -","- C50 H36 Br2 Cl N3 O4 -","- C200 H144 Br8 Cl4 N12 O16 -","4","1","","Ying Cheng; Bo Wang; Lan-Qing Cheng","High Nucleophilicity of Cyclic Amidocarbene toward Aryl Isocyanates, New Approach to Spiro[azetidinone-4,3'-indolinone] Derivatives","Journal of Organic Chemistry","2006","71","","4418","4427","10.1021/jo060265h","","","0.71073","MoKα","","0.1076","0.0679","","","0.2042","0.2341","","","","","","1.046","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021719","19.1714","0.0002","19.1714","0.0002","23.39","0.0003","90","","90","","90","","8596.82","0.17","150","","150","","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","","","- C22 H30 N2 O2 Os -","- C22 H30 N2 O2 Os -","- C352 H480 N32 O32 Os16 -","16","1","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.0431","0.0272","","0.051","0.0299","0.0299","","","","","","1.0711","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021720","9.3653","0.0002","17.3355","0.0004","16.0132","0.0003","90","","94.3128","0.001","90","","2592.42","0.09","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N2 O3 Os -","- C26 H38 N2 O3 Os -","- C104 H152 N8 O12 Os4 -","4","1","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.041","0.0277","","0.0404","0.0321","0.0321","","","","","","1.0623","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021721","6.1505","0.0002","12.5027","0.0002","16.6071","0.0003","90","","90","","90","","1277.05","0.05","150","","150","","","","","","","","?","5","P b c n","-P 2n 2ab","60","","","","- C10 H22 N2 O2 Os -","- C10 H22 N2 O2 Os -","- C40 H88 N8 O8 Os4 -","4","0.5","","Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker","New Osmium-Based Reagent for the Dihydroxylation of Alkenes","Journal of Organic Chemistry","2006","71","","4481","4489","10.1021/jo060301c","","","0.71073","MoKα","","0.0341","0.0225","","0.0348","0.0302","0.0302","","","","","","1.0531","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021722","15.0702","0.0006","9.4707","0.0004","17.8664","0.0007","90","","91.564","0.001","90","","2549.04","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-3,5-di(bromomethyl)-4-tert-butylmorpholine","","- C10 H19 Br2 N O -","- C10 H19 Br2 N O -","- C80 H152 Br16 N8 O8 -","8","2","","Matthias D'hooghe; Tim Vanlangendonck; Karl W. Törnroos; Norbert De Kimpe","Novel Synthesis of cis-3,5-Disubstituted Morpholine Derivatives","Journal of Organic Chemistry","2006","71","","4678","4681","10.1021/jo060313y","","","0.71073","MoKα","","0.033","0.0229","","","0.0476","0.0512","","","","","","1.016","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021723","14.6581","0.0011","12.0535","0.0009","9.6751","0.0007","90","","90","","90","","1709.4","0.2","298","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-(1-tert-Butyl-1-methoxy-2,2-dimethyl-propyl)-2-isopropyl-benzene 4","","- C19 H32 O -","- C19 H32 O -","- C76 H128 O4 -","4","0.5","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Structure, Conformation, and Stereodynamics of the Atropisomers of Highly Hindered Benzyl Ethers","Journal of Organic Chemistry","2006","71","","4490","4496","10.1021/jo0603173","","","0.71073","MoKα","","0.0541","0.0412","","","0.1414","0.152","","","","","","1.023","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021724","15.698","0.003","9.7251","0.0016","16.164","0.003","90","","108.106","0.003","90","","2345.6","0.7","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O6 -","- C26 H26 N4 O6 -","- C104 H104 N16 O24 -","4","0.5","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0566","0.0459","","","0.1128","0.1204","","","","","","1.02","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021725","18.3914","0.0016","12.5889","0.0011","32.662","0.003","90","","122.009","0.004","90","","6412.4","1","292","2","273","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C60 H70 N8 O21 -","- C60 H70 N8 O21 -","- C240 H280 N32 O84 -","4","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1153","0.0638","","","0.0937","0.0995","","","","","","1.031","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021726","29.7596","0.0018","29.7596","0.0018","14.0373","0.0016","90","","90","","90","","12431.9","1.8","292","2","292","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H37 N5 O6 -","- C32 H37 N5 O6 -","- C512 H592 N80 O96 -","16","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0769","0.0452","","","0.1179","0.1302","","","","","","0.928","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021727","9.8669","0.0013","10.4332","0.0013","15.6359","0.0019","98.861","0.002","93.896","0.002","102.489","0.002","1544.2","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cl N4 O10 -","- C31 H34 Cl N4 O10 -","- C62 H68 Cl2 N8 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0923","0.0605","","","0.1714","0.2119","","","","","","1.037","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021728","8.4288","0.0016","11.561","0.002","13.722","0.003","94.82","0.003","98.701","0.003","90.263","0.004","1316.9","0.4","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N6 O10 -","- C26 H24 N6 O10 -","- C52 H48 N12 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0734","0.0578","","","0.163","0.1803","","","","","","1.039","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021729","9.945","0.0008","22.6112","0.0017","25.928","0.002","90","","95.379","0.002","90","","5804.6","0.8","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl3 N12 O20 -","- C53 H49 Cl3 N12 O20 -","- C212 H196 Cl12 N48 O80 -","4","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1164","0.0606","","","0.159","0.1766","","","","","","0.914","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021730","9.9585","0.0008","10.4964","0.0009","14.6205","0.0012","71.555","0.002","86.28","0.002","78.775","0.002","1422","0.2","292","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N6 O12 -","- C28 H28 N6 O12 -","- C56 H56 N12 O24 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.1075","0.0695","","","0.1892","0.2308","","","","","","1.035","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021731","12.9697","0.0015","15.7345","0.0018","28.299","0.003","90","","101.549","0.002","90","","5658.1","1.1","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O12 -","- C28 H28 N6 O12 -","- C224 H224 N48 O96 -","8","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0983","0.0577","","","0.1342","0.154","","","","","","1.026","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021732","10.139","0.012","12.672","0.015","13.818","0.017","78.23","0.02","68.9","0.02","70.97","0.02","1558","3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cl N4 O10 -","- C31 H34 Cl N4 O10 -","- C62 H68 Cl2 N8 O20 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0937","0.0614","","","0.175","0.219","","","","","","1.044","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021733","9.6701","0.0012","13.4476","0.0016","13.6194","0.0016","89.008","0.002","72.456","0.002","73.091","0.002","1610.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H35 Cl3 N4 O8 -","- C31 H35 Cl3 N4 O8 -","- C62 H70 Cl6 N8 O16 -","2","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0937","0.0609","","","0.1665","0.1982","","","","","","0.993","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021734","22.813","0.005","14.951","0.003","18.936","0.004","90","","90","","90","","6458","2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H34 Cl3 N4 O9.5 -","- C29 H34 Cl3 N4 O9.5 -","- C232 H272 Cl24 N32 O76 -","8","1","","Zhi-Guo Wang; Bao-Han Zhou; Yun-Feng Chen; Guo-Dong Yin; Yi-Tao Li; An-Xin Wu; Lyle Isaacs","Substituent Effects Control the Self-Association of Molecular Clips in the Crystalline State","Journal of Organic Chemistry","2006","71","","4502","4508","10.1021/jo0603375","","","0.71073","MoKα","","0.0934","0.0733","","","0.1754","0.1918","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021735","9.7628","0.0009","12.5244","0.0011","13.9344","0.0012","102.227","0.002","94.988","0.002","99.295","0.002","1630.3","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H96 O16 -","- C68 H96 O16 -","- C68 H96 O16 -","1","0.5","","Shigeo Kohmoto; Yasunobu Someya; Hyuma Masu; Kentaro Yamaguchi; Keiki Kishikawa","Liquid Crystal and Crystal Structure of Octahomotetraoxacalix[4]arenes","Journal of Organic Chemistry","2006","71","","4509","4515","10.1021/jo060355m","","","0.71073","MoKα","","0.1149","0.0715","","","0.1973","0.2268","","","","","","1.073","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021736","9.5109","0.0007","9.1849","0.0007","12.3031","0.0009","90","","100.176","0.001","90","","1057.85","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(1R*,2S*,3S*)-3-(4-Hydroxyphenyl)-cyclohex-4-ene-1,2-diol","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","David Crich; Daniel Grant; Donald J. Wink","Expedient Two-Step Synthesis of Phenolic Cyclitols from Benzene","Journal of Organic Chemistry","2006","71","","4521","4524","10.1021/jo0603734","","","0.71073","MoKα","","0.0529","0.0445","","","0.1184","0.1231","","","","","","1.037","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021737","19.799","0.003","6.541","0.0011","17.571","0.003","90","","107.194","0.003","90","","2173.8","0.6","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1R,2S,3r,4R,5S)-3-(2-Hydroxyphenyl)-1,2,4,5-cyclohexanetetraol","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","","David Crich; Daniel Grant; Donald J. Wink","Expedient Two-Step Synthesis of Phenolic Cyclitols from Benzene","Journal of Organic Chemistry","2006","71","","4521","4524","10.1021/jo0603734","","","0.71073","MoKα","","0.0677","0.063","","","0.1503","0.1525","","","","","","1.226","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021738","10.087","0.003","5.4955","0.0015","14.843","0.004","90","","97.321","0.015","90","","816.1","0.4","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C36 H60 O4 -","2","1","","Vikram C. Purohit; Robyn D. Richardson; Jeffrey W. Smith; Daniel Romo","Practical, Catalytic, Asymmetric Synthesis of β-Lactones via a Sequential Ketene Dimerization/Hydrogenation Process: Inhibitors of the Thioesterase Domain of Fatty Acid Synthase","Journal of Organic Chemistry","2006","71","","4549","4558","10.1021/jo060392d","","","1.54178","CuKα","","0.0964","0.0615","","","0.139","0.154","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021739","10.571","0.003","10.934","0.003","12.616","0.004","71.74","0.03","75.85","0.04","66.9","0.03","1261.3","0.7","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","4,5-Diethylcarboxy-2,7-bis(1,1-dimethylethyl)- 9,9-dimethyl-xanthene","","- C27 H34 O5 -","- C27 H34 O5 -","- C54 H68 O10 -","2","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1333","0.0887","","","0.2116","0.2486","","","","","","0.896","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021740","11.407","0.003","14.078","0.004","17.325","0.004","96.17","0.03","93.52","0.03","100.92","0.03","2706.4","1.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,7-Bis(1,1-dimethylethyl)-9,9-dimethyl-4,5-bis(1-(2,3-dimethylphenyl amino)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene","","- C63 H76 N4 O2 -","- C63 H70 N4 O2 -","- C126 H140 N8 O4 -","2","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1114","0.0593","","","0.1396","0.1581","","","","","","0.869","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021741","17.47","0.002","28.695","0.004","27.5","0.003","90","","90","","90","","13786","3","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dilithium 2,7-Bis(1,1-dimethylethyl)9,9-dimethyl-4,5-bis(1-(2,3-dimethyl phenylamido)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene","","- C73 H98 Li2 N4 O4 -","- C73 H98 Li2 N4 O4 -","- C584 H784 Li16 N32 O32 -","8","1","","Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer","Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites","Journal of Organic Chemistry","2006","71","","4559","4564","10.1021/jo060394y","","","0.71073","MoKα","","0.1582","0.0907","","","0.2299","0.2549","","","","","","0.87","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021742","9.071","0.002","14.515","0.003","17.209","0.004","90","","95.318","0.005","90","","2256.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4c","N-cyclohexyl-1-[N'-carbamoyl-N-(2-oxo-2-phenylacetyl) hydrazino]cyclohexanecarboxamide","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C88 H120 N16 O16 -","4","1","","María Sañudo; Stefano Marcaccini; Sara Basurto; Tomás Torroba","Synthesis of 3-Hydroxy-6-oxo[1,2,4]triazin-1-yl Alaninamides, a New Class of Cyclic Dipeptidyl Ureas","Journal of Organic Chemistry","2006","71","","4578","4584","10.1021/jo060434y","","","0.71073","MoKα","","0.182","0.1052","","","0.3034","0.3495","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021743","11.367","0.004","15.514","0.005","11.871","0.004","90","","116.88","0.004","90","","1867.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","N-Cyclohexyl-2-(3-hydroxy-6-oxo-5- phenyl-6H-[1,2,4]triazin-1-yl)isobutyramide","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C76 H96 N16 O12 -","4","1","","María Sañudo; Stefano Marcaccini; Sara Basurto; Tomás Torroba","Synthesis of 3-Hydroxy-6-oxo[1,2,4]triazin-1-yl Alaninamides, a New Class of Cyclic Dipeptidyl Ureas","Journal of Organic Chemistry","2006","71","","4578","4584","10.1021/jo060434y","","","0.71073","MoKα","","0.1322","0.0788","","","0.2226","0.2495","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021744","7.912","0.002","9.492","0.001","12.597","0.002","102.24","0.01","99.95","0.02","96.12","0.02","900.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H10 F6 O4 -","- C21 H10 F6 O4 -","- C42 H20 F12 O8 -","2","1","","Vyacheslav Ya. Sosnovskikh; Vladislav Yu. Korotaev; Dmitry L. Chizhov; Igor B. Kutyashev; Danil S. Yachevskii; Olga N. Kazheva; Oleg A. Dyachenko; Valery N. Charushin","Reaction of Polyhaloalkyl-Substituted Chromones, Pyrones, and Furanones with Salicylaldehydes as a Direct Route to Fused 2H-Chromenes","Journal of Organic Chemistry","2006","71","","4538","4543","10.1021/jo060459x","","","0.7107","MoKα","","0.0397","0.0355","","","0.0912","0.0942","","","","","","1.045","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021745","11.053","0.002","12.222","0.002","13.902","0.002","90","","97.37","0.02","90","","1862.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H10 F6 O4 -","- C21 H10 F6 O4 -","- C84 H40 F24 O16 -","4","1","","Vyacheslav Ya. Sosnovskikh; Vladislav Yu. Korotaev; Dmitry L. Chizhov; Igor B. Kutyashev; Danil S. Yachevskii; Olga N. Kazheva; Oleg A. Dyachenko; Valery N. Charushin","Reaction of Polyhaloalkyl-Substituted Chromones, Pyrones, and Furanones with Salicylaldehydes as a Direct Route to Fused 2H-Chromenes","Journal of Organic Chemistry","2006","71","","4538","4543","10.1021/jo060459x","","","0.7107","MoKα","","0.0446","0.0343","","","0.0869","0.0921","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021746","9.0507","0.0015","6.9774","0.0012","14.452","0.002","90","","103.996","0.003","90","","885.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Cristiano Raminelli; Zhijian Liu; Richard C. Larock","Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides","Journal of Organic Chemistry","2006","71","","4689","4691","10.1021/jo060523a","","","0.71073","MoKα","","0.0443","0.038","","","0.109","0.1162","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021747","7.4164","0.0018","12.426","0.003","20.103","0.005","90","","90","","90","","1852.6","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","2","","Cristiano Raminelli; Zhijian Liu; Richard C. Larock","Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides","Journal of Organic Chemistry","2006","71","","4689","4691","10.1021/jo060523a","","","0.71073","MoKα","","0.0379","0.0332","","","0.086","0.0896","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021748","14.6298","0.001","25.9566","0.001","18.5998","0.001","90","0.01","111.751","0.01","90","0.01","6560.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 O6 -","- C39 H33 O6 -","- C312 H264 O48 -","8","1","","Arkasish Bandyopadhyay; Babu Varghese; Sethuraman Sankararaman","Synthesis of 1,4-Cyclohexadiene-Based Acetylenic Macrocycles with Cadiot-Chodkiewicz Coupling. Structure of a Tub-Shaped Tetrameric Container","Journal of Organic Chemistry","2006","71","","4544","4548","10.1021/jo0605290","","","1.5418","CuKα","","0.1926","0.1085","","","0.2421","0.268","","","","","","0.866","","","","has coordinates","259535","2020-12-04","06:04:51",""
"4021749","14.832","0.006","25.376","0.008","12.737","0.004","90","","90","","90","","4794","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C52 H48 O10 -","- C52 H48 O10 -","- C208 H192 O40 -","4","0.5","","Arkasish Bandyopadhyay; Babu Varghese; Sethuraman Sankararaman","Synthesis of 1,4-Cyclohexadiene-Based Acetylenic Macrocycles with Cadiot-Chodkiewicz Coupling. Structure of a Tub-Shaped Tetrameric Container","Journal of Organic Chemistry","2006","71","","4544","4548","10.1021/jo0605290","","","0.71069","MoKα","","0.1521","0.0583","","","0.1436","0.1715","","","","","","1.022","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021750","12.524","0.003","8.4105","0.0017","14.315","0.003","90","","112.12","0.03","90","","1396.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-bis(hexoxy)-1,2-bis(2,6-dibromopyrid-4-yl)ethane","","- C12 H16 Br2 N O -","- C12 H16 Br2 N O -","- C48 H64 Br8 N4 O4 -","4","1","","Chad M. Amb; Seth C. Rasmussen","6,6'-Dibromo-4,4'-di(hexoxymethyl)-2,2'- bipyridine: A New Solubilizing Building Block for Macromolecular and Supramolecular Applications","Journal of Organic Chemistry","2006","71","","4696","4699","10.1021/jo060557i","","","0.71073","MoKα","","0.1279","0.0379","","","0.0708","0.0969","","","","","","0.977","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021751","8.6992","0.0003","6.3159","0.0002","39.6797","0.0015","90","","90","","90","","2180.13","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","2","","Fatiah Issa; Joshua Fischer; Peter Turner; Mark J. Coster","Regioselective Reduction of 3-Methoxymaleimides: An Efficient Method for the Synthesis of Methyl 5-Hydroxytetramates","Journal of Organic Chemistry","2006","71","","4703","4705","10.1021/jo0605750","","","0.71073","MoKα","","0.052","0.0365","","","0.0678","0.0689","","","","","","1.184","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021752","9.721","0.001","9.8697","0.0006","14.583","0.001","88.249","0.004","74.925","0.004","86.837","0.004","1348.7","0.2","113.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N6 O14 -","- C58 H66 N6 O14 -","- C58 H66 N6 O14 -","1","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0455","","","","0.1144","","","","","","1.274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021753","8.061","0.004","24.011","0.01","15.935","0.007","90","","104.634","0.0015","90","","2984","2","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H68 N4 O14 -","- C72 H68 N4 O14 -","- C144 H136 N8 O28 -","2","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0478","","","","0.1297","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021754","8.765","0.005","12.877","0.006","13.308","0.006","63.612","0.012","83.379","0.016","78.521","0.015","1318.1","1.1","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H60 N4 O13 -","- C62 H60 N4 O13 -","- C62 H60 N4 O13 -","1","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0436","","","","0.1351","","","","","","1.004","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021755","8.2594","0.0004","14.7704","0.0008","20.8394","0.0009","90.058","0.004","89.99","0.004","89.935","0.004","2542.3","0.2","100","","100","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F N2 O4 -","- C30 H29 F N2 O4 -","- C120 H116 F4 N8 O16 -","4","1","","Tilak Chandra; Xiang Zou; Edward J. Valente; Kenneth L. Brown","Regio- and Stereoselective Glycosylation: Synthesis of 5-Haloimidazole α-Ribonucleosides","Journal of Organic Chemistry","2006","71","","5000","5003","10.1021/jo060087s","","x-ray","0.71073","MoKα","","0.0463","0.0378","","","0.0924","0.0953","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021756","10.47","0.002","36.98","0.006","6.81","0.0008","90","","97.12","0.007","90","","2616.4","0.7","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N2 O2 -","- C30 H35 N2 O2 -","- C120 H140 N8 O8 -","4","1","","Yozo Miura; Yoshikazu Muranaka; Yoshio Teki","New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals","Journal of Organic Chemistry","2006","71","","4786","4794","10.1021/jo0600959","","","0.7107","MoKα","","","0.0941","","","","0.2242","","","","","","1.434","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021757","49.366","0.005","9.5302","0.0009","11.6401","0.0011","90","","98.786","0.005","90","","5412","0.9","203","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cl2 N2 O -","- C29 H31 Cl2 N2 O -","- C232 H248 Cl16 N16 O8 -","8","1","","Yozo Miura; Yoshikazu Muranaka; Yoshio Teki","New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals","Journal of Organic Chemistry","2006","71","","4786","4794","10.1021/jo0600959","","","0.7107","MoKα","","0.0838","0.075","","","0.1601","0.1646","","","","","","1.183","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021758","21.1411","0.0008","12.4781","0.0005","8.2457","0.0003","90","","108.638","0.002","90","","2061.15","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 N8 O2 -","- C17 H30 N8 O2 -","- C68 H120 N32 O8 -","4","0.5","","David J. R. Brook; Gordon T. Yee","Radical-Radical Interaction through a Saturated Link: Methylenebis-6-oxoverdazyl","Journal of Organic Chemistry","2006","71","","4889","4895","10.1021/jo060165b","","","0.71073","MoKα","","0.0614","0.0435","","","0.1111","0.1233","","","","","","1.039","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021759","6.043","0.0005","6.9857","0.0005","21.1694","0.0018","90","","94.074","0.001","90","","891.4","0.12","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl3 N2 -","- C7 H5 Cl3 N2 -","- C28 H20 Cl12 N8 -","4","1","","Tomas Martinu; William P. Dailey","Reactivity of 1-Chloro-3-phenyldiazirines","Journal of Organic Chemistry","2006","71","","5012","5015","10.1021/jo060341g","","","0.71069","MoKα","","0.0283","0.0264","","","0.0694","0.0706","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021760","12.5066","0.0011","6.4952","0.0006","12.8842","0.0012","90","","116.588","0.002","90","","935.94","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C40 H42 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.0929","0.0402","","","0.07","0.0837","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021761","13.592","0.002","5.98","0.0009","13.892","0.002","90","","119.223","0.002","90","","985.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Benito Alcaide; Pedro Almendros; Amparo Luna; M. Rosario Torres","Proline-Catalyzed Diastereoselective Direct Aldol Reaction between 4-Oxoazetidine-2-carbaldehydes and Ketones","Journal of Organic Chemistry","2006","71","","4818","4822","10.1021/jo0604235","","","0.71073","MoKα","","0.152","0.0517","","","0.101","0.1264","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021762","7.543","0.0001","10.508","0.0002","21.921","0.0004","90","","90","","90","","1737.5","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C80 H80 O16 S4 -","4","1","","Don Antoine Lanfranchi; Gilles Hanquet","Asymmetric Diels-Alder Reactions of a New Enantiomerically Pure Sulfinylquinone: A Straightforward Access to Functionalized Wieland-Miescher Ketone Analogues with (R) Absolute Configuration","Journal of Organic Chemistry","2006","71","","4854","4861","10.1021/jo060486n","","","0.71073","MoKα","","0.048","0.0372","","","0.088","0.0937","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021763","8.938","0.005","9.571","0.004","9.327","0.005","90","","94.63","0.02","90","","795.3","0.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C30 H50 N2 O8 -","2","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.05","","","","0.098","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021764","5.209","0.001","8.188","0.002","18.667","0.006","90","","90","","90","","796.1","0.4","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O -","- C9 H13 N O -","- C36 H52 N4 O4 -","4","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.057","","","","0.156","","","","","","1.016","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021765","11.8863","0.0014","5.3819","0.0007","22.632","0.003","90","","101.436","0.002","90","","1419","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Osajaxanthone","","","- C18 H14 O5 -","- C18 H14 O5 -","- C72 H56 O20 -","4","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F","Journal of Organic Chemistry","2006","71","","4992","4995","10.1021/jo0606655","","","0.71073","MoKα","","0.068","0.0338","","","0.0724","0.0807","","","","","","0.842","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021766","18.5994","0.0009","10.662","0.0005","14.7627","0.0007","90","","102.537","0.001","90","","2857.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","NigrolineaxanthoneF","","","- C18 H14 O5 -","- C18 H14 O5 -","- C144 H112 O40 -","8","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F","Journal of Organic Chemistry","2006","71","","4992","4995","10.1021/jo0606655","","","0.71073","MoKα","","0.0479","0.0424","","","0.1095","0.1157","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021767","6.5552","0.0001","7.6732","0.0001","12.5769","0.0002","90","","98.603","0.001","90","","625.492","0.016","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H15 N -","- C16 H15 N -","- C32 H30 N2 -","2","1","","Manyam Praveen Kumar; Rai-Shung Liu","Zn(OTf)~2~-Catalyzed Cyclization of Proparyl Alcohols with Anilines, Phenols, and Amides for Synthesis of Indoles, Benzofurans, and Oxazoles through Different Annulation Mechanisms","Journal of Organic Chemistry","2006","71","","4951","4955","10.1021/jo0606711","","","0.71073","MoKα","","0.0588","0.0397","","","0.0908","0.1136","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021768","7.3484","0.0002","10.8617","0.0003","17.3118","0.0005","79.781","0.001","88.252","0.001","82.925","0.001","1349.43","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Manyam Praveen Kumar; Rai-Shung Liu","Zn(OTf)~2~-Catalyzed Cyclization of Proparyl Alcohols with Anilines, Phenols, and Amides for Synthesis of Indoles, Benzofurans, and Oxazoles through Different Annulation Mechanisms","Journal of Organic Chemistry","2006","71","","4951","4955","10.1021/jo0606711","","","0.71073","MoKα","","0.1492","0.0815","","","0.241","0.2831","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021769","8.2284","0.0005","14.6764","0.0009","21.4924","0.0013","90","","90","","90","","2595.5","0.3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O S -","- C14 H17 N O S -","- C112 H136 N8 O8 S8 -","8","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0371","0.0308","","","0.08","0.0851","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021770","8.1328","0.0004","9.4467","0.0004","20.376","0.0009","90","","90","","90","","1565.45","0.12","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O S -","- C17 H24 O S -","- C68 H96 O4 S4 -","4","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0292","0.0276","","","0.0728","0.0738","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021771","14.3874","0.0014","5.6698","0.0006","24.607","0.003","90","","90","","90","","2007.3","0.4","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H15 F O -","- C12 H15 F O -","- C96 H120 F8 O8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0635","0.0503","","","0.1352","0.1454","","","","","","1.046","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021772","6.1056","0.0007","11.1995","0.0014","12.5523","0.0015","93.171","0.002","101.992","0.002","105.393","0.002","803.9","0.17","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 O2 S -","- C17 H26 O2 S -","- C34 H52 O4 S2 -","2","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0554","0.0386","","","0.0957","0.107","","","","","","1.049","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021773","8.738","0.009","30.34","0.03","13.872","0.014","90","","91.031","0.016","90","","3677","6","148","2","148","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C144 H216 N8 O16 S8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.2956","0.2421","","","0.5343","0.5669","","","","","","1.469","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021774","16.8009","0.0018","11.0584","0.0012","20.623","0.002","90","","90","","90","","3831.6","0.7","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H28 O S -","- C22 H28 O S -","- C176 H224 O8 S8 -","8","2","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0467","0.0335","","","0.0729","0.0808","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021775","11.8808","0.0005","19.7939","0.0007","11.3706","0.0004","105.173","0.001","92.806","0.002","84.887","0.001","2569.6","0.2","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 F6 N O11 P -","- C50 H64 F6 N O11 P -","- C100 H128 F12 N2 O22 P2 -","2","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.092","","","","0.265","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021776","18.9561","0.0003","31.016","0.0005","16.5337","0.0003","90","","90","","90","","9720.9","0.3","296.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H63 N O11 -","- C52 H63 N O11 -","- C416 H504 N8 O88 -","8","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021777","14.9969","0.0002","29.4294","0.0004","11.8503","0.0001","90","","90","","90","","5230.1","0.1","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 N2 O11 -","- C56 H64 N2 O11 -","- C224 H256 N8 O44 -","4","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.121","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021778","14.6538","0.0004","19.8519","0.0005","15.3287","0.0005","90","","93.445","0.001","90","","4451.1","0.2","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 N O11 -","- C46 H55 N O11 -","- C184 H220 N4 O44 -","4","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.065","","","","0.191","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021779","8.5368","0.0008","8.8167","0.001","14.2494","0.0015","86.753","0.008","83.833","0.007","62.065","0.007","942.03","0.17","295","2","","","","","","","","","","2","P -1","-P 1","2","","","","- C24 H28 -","- C24 H28 -","- C48 H56 -","2","1","","Chao Chen; Chanjuan Xi; Yuanyuan Liu; Xiaoyin Hong","Generation of Benzocyclobutadiene Derivatives from Zirconaindene Derivatives","Journal of Organic Chemistry","2006","71","","5373","5376","10.1021/jo060334s","","","0.71073","MoKα","","0.0779","0.0487","","","0.0932","0.1082","","","","","","1.049","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021780","26.953","0.003","26.953","0.003","9.978","0.003","90","","90","","90","","7249","2","295","2","293","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","9,10,diphenylphenanthrene","","- C26 H18 -","- C26 H18 -","- C416 H288 -","16","1","","Chao Chen; Chanjuan Xi; Yuanyuan Liu; Xiaoyin Hong","Generation of Benzocyclobutadiene Derivatives from Zirconaindene Derivatives","Journal of Organic Chemistry","2006","71","","5373","5376","10.1021/jo060334s","","","0.71073","MoKα","","0.3153","0.08","","","0.0889","0.1412","","","","","","0.795","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021781","5.7186","0.0003","11.3015","0.0005","32.3981","0.0016","90","","90","","90","","2093.85","0.18","298","2","298","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith","Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane","Journal of Organic Chemistry","2006","71","","5198","5207","10.1021/jo060495w","","","1.54178","CuKα","","0.0566","0.0421","","","0.1056","0.115","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021782","8.2329","0.0011","12.4797","0.0016","20.963","0.003","90","","94.791","0.005","90","","2146.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H55 N3 O10 S -","- C44 H51 N3 O10 S -","- C88 H102 N6 O20 S2 -","2","1","","Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith","Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane","Journal of Organic Chemistry","2006","71","","5198","5207","10.1021/jo060495w","","","1.54178","CuKα","","0.1308","0.1045","","","0.2861","0.3196","","","","","","1.272","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021783","5.439","0.005","8.173","0.001","15.782","0.002","90","","92.39","0.003","90","","700.9","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-methyl-5-oxo-1-phenylhex-1-en-3-yl acetate","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0601","0.049","","","0.1231","0.1359","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021784","5.466","0.001","9.27","0.001","24.217","0.003","90","","90","","90","","1227.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-methyl-6-phenylhex-5-ene-2,4-diol","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.1022","0.0807","","","0.1918","0.2152","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021785","31.54","0.005","5.608","0.005","8.403","0.005","90","0.005","102.653","0.005","90","0.005","1450.2","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-hydroxy-3-methyl-6-phenyl-5-en-2-yl acetate","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.0667","0.0609","","","0.1728","0.1854","","","","","","1.125","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021786","8.1665","0.0012","12.191","0.003","25.975","0.006","90","","94.916","0.014","90","","2576.5","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0716","0.0433","","","0.0963","0.11","","","","","","1.012","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021787","13.398","0.003","10.8","0.003","18.235","0.004","90","","91.853","0.015","90","","2637.2","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0877","0.0492","","","0.1113","0.1321","","","","","","1.02","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021788","10.838","0.008","11.321","0.008","11.438","0.007","109.08","0.04","94.84","0.04","95.86","0.03","1309","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C70 H52 O6 S2 -","2","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.1537","0.1198","","","0.3556","0.3764","","","","","","1.031","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021789","10.228","0.004","10.607","0.003","14.554","0.005","76.54","0.02","87.73","0.02","62.9","0.02","1363","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C70 H52 O6 S2 -","2","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0853","0.0459","","","0.1007","0.1203","","","","","","1.013","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021790","14.174","0.002","13.068","0.002","14.911","0.003","90","","90","","90","","2761.9","0.8","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C35 H26 O3 S -","- C35 H26 O3 S -","- C140 H104 O12 S4 -","4","1","","Thomas G. Back; Masood Parvez; Huimin Zhai","Rearrangements of the Diels-Alder Cycloadducts Obtained from Acetylenic Sulfones and 1,3-Diphenylisobenzofuran","Journal of Organic Chemistry","2006","71","","5254","5259","10.1021/jo060598e","","","0.71073","MoKα","","0.0905","0.0493","","","0.0996","0.1179","","","","","","1.006","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021791","8.0947","0.0004","8.6895","0.0005","13.3367","0.0007","96.89","0.002","103.349","0.002","96.254","0.002","897.04","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","On the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes","Journal of Organic Chemistry","2006","71","","5328","5339","10.1021/jo060664c","","","0.71073","MoKα","","0.0459","0.0429","","","0.1053","0.1075","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021792","8.6472","0.0006","12.6628","0.0008","15.9518","0.0011","90","","95.773","0.002","90","","1737.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O4 S -","- C18 H20 N2 O4 S -","- C72 H80 N8 O16 S4 -","4","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","On the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes","Journal of Organic Chemistry","2006","71","","5328","5339","10.1021/jo060664c","","","0.71073","MoKα","","0.0342","0.032","","","0.0849","0.0869","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021793","13.156","0.0002","15.007","0.0002","21.406","0.0004","90","","106.766","0.001","90","","4046.58","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N6 O8 S4 -","- C40 H38 N6 O8 S4 -","- C160 H152 N24 O32 S16 -","4","0.5","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0526","0.0415","","0.0601","0.0507","0.0507","","","","","","1.0662","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021794","13.38","0.0003","14.444","0.0003","15.927","0.0004","78.831","0.0014","70.965","0.0011","87.133","0.0014","2854.36","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H57.2 N4 O10 S4 -","- C64 H57.2 N4 O10 S4 -","- C128 H114.4 N8 O20 S8 -","2","1","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0623","0.0412","","0.0652","0.0486","0.0486","","","","","","1.1044","","","","has coordinates,has disorder","208244","2020-10-21","18:00:00",""
"4021795","21.518","0.0001","27.62","0.0002","18.686","0.0002","90","","107.492","0.0004","90","","10592.1","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H65 Cl N4 O8 S4 -","- C52.5 H65 Cl N4 O8 S4 -","- C420 H520 Cl8 N32 O64 S32 -","8","2","","Václav Št'astný; Ivan Stibor; Ivana Císarřová; Jan Sýkora; Michaela Pojarová; Pavel Lhoták","Synthesis of Unique Cagelike Thiacalix[4]arene Derivatives in a 1,3-Alternate Conformation","Journal of Organic Chemistry","2006","71","","5404","5406","10.1021/jo0607358","","","0.71073","MoKα","","0.0756","0.0506","","0.0758","0.059","0.059","","","","","","1.0892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021796","8.4065","0.0003","16.0349","0.0007","9.6956","0.0004","90","","91.027","0.001","90","","1306.73","0.09","90","1","90","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 Br2 N O6 -","- C27 H27 Br2 N O6 -","- C54 H54 Br4 N2 O12 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0254","0.0216","","","0.0467","0.0474","","","","","","0.985","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021797","20.5888","0.0005","6.8523","0.0002","15.1405","0.0003","90","","111.949","0.001","90","","1981.19","0.08","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H18 Br2 O5 -","- C22 H18 Br2 O5 -","- C88 H72 Br8 O20 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0186","0.0179","","","0.045","0.0452","","","","","","1.044","","","","has coordinates,has disorder","178395","2020-10-21","18:00:00",""
"4021798","7.2726","0.0002","15.5701","0.0005","10.5727","0.0003","90","","102.539","0.001","90","","1168.65","0.06","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7-(4-Bromo-phenyl)-2-oxa-bicyclo[4.1.0]heptane- 7-carboxylic acid methyl ester","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0155","0.0152","","","0.038","0.038","","","","","","0.931","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021799","10.788","0.0002","9.0472","0.0002","11.5689","0.0002","90","","94.443","0.001","90","","1125.75","0.04","90","2","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 Br2 O5 -","- C24 H22 Br2 O5 -","- C48 H44 Br4 O10 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0508","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021800","9.0996","0.0008","9.6184","0.0009","16.7505","0.0015","90","","90","","90","","1466.1","0.2","90","1","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[4-Bromophenyl]-1a,6a-dihydro-1H-6-oxacyclopropa[a]indene-1-carboxylic acid methyl ester","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0209","0.018","","","0.0405","0.0412","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021801","9.4056","0.0008","9.2688","0.0009","19.5943","0.0015","90","","93.333","0.003","90","","1705.3","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H36 Br N O8 -","- C39 H36 Br N O8 -","- C78 H72 Br2 N2 O16 -","2","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0489","0.0407","","","0.087","0.089","","","","","","1.265","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021802","9.0453","0.0012","9.4904","0.0013","12.2205","0.0017","103.268","0.002","96.557","0.002","109.701","0.002","940","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 I N5 -","- C17 H22 I N5 -","- C34 H44 I2 N10 -","2","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.0356","0.0318","","","0.0752","0.0767","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021803","13.5919","0.0014","19.444","0.002","20.692","0.002","67.405","0.002","74.981","0.002","75.348","0.002","4803.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H27 B Cl F4 N5 Pd -","- C20 H19.5 B Cl F4 N5 Pd -","- C160 H156 B8 Cl8 F32 N40 Pd8 -","8","4","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1714","0.07","","","0.1729","0.1981","","","","","","0.88","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021804","16.2963","0.0018","8.7755","0.0009","17.3718","0.0019","90","","99.707","0.002","90","","2448.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl N5 O2 -","- C24 H32 Cl N5 O2 -","- C96 H128 Cl4 N20 O8 -","4","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1006","0.0523","","","0.11","0.1243","","","","","","0.853","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021805","22.812","0.003","15.838","0.002","14.956","0.002","90","","90","","90","","5403.8","1.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl2 N5 O1.5 Pd -","- C26 H29 Cl2 N5 O1.5 Pd -","- C208 H232 Cl16 N40 O12 Pd8 -","8","1","","Fanlong Zeng; Zhengkun Yu","Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions","Journal of Organic Chemistry","2006","71","","5274","5281","10.1021/jo060795d","","","0.71073","MoKα","","0.1166","0.0603","","","0.1545","0.1712","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021806","11.579","0.002","7.248","0.0014","11.656","0.002","90","","103.7","0.03","90","","950.4","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H23 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.1465","0.1087","","","0.2648","0.3243","","","","","","1.336","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021807","9.667","0.0019","10.054","0.002","12.664","0.003","90","","108.47","0.03","90","","1167.4","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 O11 -","- C18 H24 Cl2 O11 -","- C36 H48 Cl4 O22 -","2","1","","Jialong Yuan; Kristof Lindner; Holger Frauenrath","1-O-Vinyl Glycosides via Tebbe Olefination, Their Use as Chiral Auxiliaries and Monomers","Journal of Organic Chemistry","2006","71","","5457","5467","10.1021/jo0600510","","","1.54178","CuKα","","0.0756","0.0737","","","0.1903","0.1946","","","","","","1.167","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021808","6.542","0.0008","11.3679","0.0012","11.5336","0.0012","79.169","0.007","75.112","0.008","85.849","0.01","813.92","0.16","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Br Cl N O2 -","- C16 H17 Br Cl N O2 -","- C32 H34 Br2 Cl2 N2 O4 -","2","1","","Albert Padwa; Kenneth R. Crawford; Christopher S. Straub; Susan N. Pieniazek; K. N. Houk","Halo Substituent Effects on Intramolecular Cycloadditions Involving Furanyl Amides","Journal of Organic Chemistry","2006","71","","5432","5439","10.1021/jo0602322","","","1.54178","CuKα","","0.0364","0.035","","","0.0899","0.0909","","","","","","1.122","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021809","9.6959","0.001","9.2239","0.0006","36.216","0.003","90","","92.532","0.008","90","","3235.8","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br Cl N O2 -","- C16 H17 Br Cl N O2 -","- C128 H136 Br8 Cl8 N8 O16 -","8","2","","Albert Padwa; Kenneth R. Crawford; Christopher S. Straub; Susan N. Pieniazek; K. N. Houk","Halo Substituent Effects on Intramolecular Cycloadditions Involving Furanyl Amides","Journal of Organic Chemistry","2006","71","","5432","5439","10.1021/jo0602322","","","1.54178","CuKα","","0.0658","0.046","","","0.1139","0.1266","","","","","","1.033","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021810","11.4799","0.0009","11.002","0.0008","13.6671","0.0011","90","","102.557","0.002","90","","1684.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 O4 Si2 -","- C32 H50 O4 Si2 -","- C64 H100 O8 Si4 -","2","1","","Paula Álvarez-Bercedo; Juan Murga; Miguel Carda; J. Alberto Marco","Stereoselective Synthesis of the Published Structure of Feigrisolide A. Structural Revision of Feigrisolides A and B","Journal of Organic Chemistry","2006","71","","5766","5769","10.1021/jo060314q","","","0.71073","MoKα","","0.1644","0.0601","","","0.0918","0.1196","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021811","9.879","0.005","9.971","0.005","13.983","0.006","65.57","0.02","72.71","0.02","82.83","0.03","1197.5","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","compound 11b","","","- C23 H21 Cl4 O3 P Si -","- C23 H21 Cl4 O3 P Si -","- C46 H42 Cl8 O6 P2 Si2 -","2","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.0465","0.0353","","","0.0872","0.0951","","","","","","1.072","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021812","11.908","0.014","13.215","0.015","16.772","0.019","90","","90","","90","","2639","5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound15","","","- C26 H16 Br Cl4 O3 P -","- C26 H16 Br Cl4 O3 P -","- C104 H64 Br4 Cl16 O12 P4 -","4","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.1906","0.1557","","","0.3205","0.3419","","","","","","1.19","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021813","10.049","0.003","10.577","0.003","13.329","0.005","70.756","0.017","74.706","0.018","61.338","0.015","1164.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","compound 4a","","","- C26 H15 Cl4 O2 P -","- C26 H15 Cl4 O2 P -","- C52 H30 Cl8 O4 P2 -","2","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.0374","0.0307","","","0.0749","0.079","","","","","","1.036","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021814","5.3816","0.0018","8.385","0.003","27.511","0.009","90","","90","","90","","1241.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1a","","","- C16 H12 O Se -","- C16 H12 O Se -","- C64 H48 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","0.0254","0.0234","","","0.0457","0.0466","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021815","8.365","0.003","5.537","0.002","38.84","0.003","90","","94.81","0.02","90","","1792.8","1","292.2","","292.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O2 Se -","- C23 H18 O2 Se -","- C92 H72 O8 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0452","","","0.0329","","","","","1.568","1.568","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021816","9.167","0.001","10.057","0.002","7.759","0.001","106.35","0.01","97.32","0.01","84.94","0.01","679.8","0.2","292.2","","292.2","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl O Se -","- C16 H11 Cl O Se -","- C32 H22 Cl2 O2 Se2 -","2","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.03","","","0.0314","","","","","1.156","1.156","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021817","13.592","0.003","14.685","0.003","7.444","0.001","102.74","0.02","98.73","0.02","71.54","0.02","1369.3","0.5","292.2","","292.2","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O3 Se -","- C16 H11 N O3 Se -","- C64 H44 N4 O12 Se4 -","4","2","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0419","","","0.0307","","","","","1.528","1.528","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021818","8.03","0.002","17.143","0.002","10.335","0.002","90","","99.31","0.02","90","","1404.1","0.4","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl2 O Se -","- C16 H10 Cl2 O Se -","- C64 H40 Cl8 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0488","","","0.0513","","","","","1.087","1.087","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021819","4.936","0.002","11.336","0.005","13.923","0.006","108.452","0.006","98.946","0.005","93.199","0.004","725.4","0.5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","4b","","","- C17 H13 Br O2 Se -","- C17 H13 Br O2 Se -","- C34 H26 Br2 O4 Se2 -","2","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","0.0292","0.0245","","","0.0512","0.0533","","","","","","1.061","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021820","24.671","0.004","14.074","0.004","8.717","0.003","89","","89","","90","","3026","2","292.2","","292.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Se -","- C20 H14 Se -","- C160 H112 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0435","","","0.0312","","","","","1.757","1.757","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021821","8.401","0.002","29.632","0.004","5.448","0.004","90","","90","","90","","1356.2","0.9","292.2","","292.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O Se -","- C17 H14 O Se -","- C68 H56 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0408","","","0.0411","","","","","1.796","1.796","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021822","7.241","0.002","8.759","0.003","22.891","0.002","90","","93.14","0.02","90","","1449.7","0.5","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F O2 Se -","- C17 H13 F O2 Se -","- C68 H52 F4 O8 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0331","","","0.0357","","","","","1.843","1.843","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021823","12.955","0.002","7.278","0.002","19.129","0.002","90","","99.985","0.01","90","","1776.4","0.5","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl O Se -","- C20 H19 Cl O Se -","- C80 H76 Cl4 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0412","","","0.0346","","","","","1.857","1.857","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021824","17.592","0.004","7.785","0.003","24.445","0.003","90","0.02","114.25","0.01","90.01","0.03","3052","1","292.2","","292.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O Se -","- C20 H14 O Se -","- C160 H112 O8 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0349","","","0.037","","","","","1.798","1.798","","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4021825","7.128","0.0005","11.738","0.0009","17.068","0.003","90","","90","","90","","1428.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 B N P -","- C12 H23 B N P -","- C48 H92 B4 N4 P4 -","4","1","","Jean-Valère Naubron; Laurent Giordano; Frédéric Fotiadu; Thomas Bürgi; Nicolas Vanthuyne; Christian Roussel; Gérard Buono","Chromatographic Resolution, Solution and Crystal Phase Conformations, and Absolute Configuration of tert-Butyl(dimethylamino)phenylphosphine-Borane Complex","Journal of Organic Chemistry","2006","71","","5586","5593","10.1021/jo0605647","","","0.71073","MoKα","","0.0445","0.0389","","","0.097","0.1009","","","","","","1.113","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021826","9.35","0.003","20.265","0.006","9.956","0.003","90","","113.142","0.0011","90","","1734.6","1","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 O4 P -","- C19 H21 O4 P -","- C76 H84 O16 P4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Takashi Nakabuchi; Yuichiro Matsutani; Hiroshi Imahori","A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups","Journal of Organic Chemistry","2006","71","","5792","5795","10.1021/jo0605748","","","0.7107","MoKα","","","0.0503","","","","0.1221","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021827","7.995","0.008","9.958","0.01","12.6","0.01","100.03","0.01","92.439","0.008","97.54","0.01","977","1","200.2","","","","","","","","","","","5","P -1","-P 1","2","EDT-TnbU","2-{4-(N1'-n-Butyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin","","- C16 H16 N2 O2 S6 -","- C16 H16 N2 O2 S6 -","- C32 H32 N4 O4 S12 -","2","1","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0414","","","","0.1182","","","","","","2.419","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021828","36.01","0.02","5.545","0.003","23.48","0.01","90","","125.16","0.02","90","","3833","3","200.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","EDT-TphU","2-{4-(N1'-n-Phenyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin","","- C18 H12 N2 O2 S6 -","- C18 H12 N2 O2 S6 -","- C144 H96 N16 O16 S48 -","8","1","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0501","","","","0.1099","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021829","4.518","0.002","14.316","0.005","18.966","0.006","89.77","0.01","89.155","0.01","86.373","0.009","1224.2","0.7","113.2","","","","","","","","","","","5","P -1","-P 1","2","EDT-TnbU-TCNQ","2-{4-(N1'-n-Butyluracil-5'-yl)-1,3-dithiole-2-ylidene}-5,6-dihydro- 1,3-dithiole[4,5-b][1,4]dithiin Tetracyanoquinodimethane Complex","","- C44 H36 N8 O4 S12 -","- C44 H36 N8 O4 S12 -","- C44 H36 N8 O4 S12 -","1","0.5","","Yasushi Morita; Eigo Miyazaki; Yoshikazu Umemoto; Kozo Fukui; Kazuhiro Nakasuji","Two-Dimensional Networks of Ethylenedithiotetrathiafulvalene Derivatives with the Hydrogen-Bonded Functionality of Uracil, and Channel Structure of Its Tetracyanoquinodimethane Complex","Journal of Organic Chemistry","2006","71","","5631","5637","10.1021/jo060748l","","","0.7107","MoKα","","","0.0636","","","","0.1373","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021830","6.6934","0.0001","29.198","0.0005","26.3649","0.0006","90","","96.4756","0.0006","90","","5119.72","0.16","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 N12 O6 -","- C45 H66 N12 O6 -","- C180 H264 N48 O24 -","4","1","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.1766","0.0593","","","0.1362","0.1791","","","","","","0.965","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021831","9.8078","0.0003","11.5104","0.0003","12.6508","0.0004","100.932","0.0011","109.33","0.0011","98.4297","0.0013","1288.98","0.07","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C54 H60 N12 O6 -","- C54 H60 N12 O6 -","- C54 H60 N12 O6 -","1","0.5","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.071","0.0448","","","0.1164","0.1327","","","","","","1.026","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021832","25.344","0.003","10.264","0.001","19.173","0.002","90","","123.41","0.01","90","","4163.3","0.9","150","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 N12 O6 -","- C36 H56 N12 O6 -","- C144 H224 N48 O24 -","4","0.5","","Philippe Le Grel; Arnaud Salaün; Michel Potel; Barbara Le Grel; Fredéric Lassagne","Aza-β^3^-Cyclohexapeptides: Pseudopeptidic Macrocycles with Interesting Conformational and Configurational Properties Slow Pyramidal Nitrogen Inversion in 24-Membered Rings!","Journal of Organic Chemistry","2006","71","","5638","5645","10.1021/jo0608467","","x-ray","0.71069","MoKα","","0.0486","0.0412","","","0.1074","0.1137","","","","","","1.041","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021833","13.9628","0.0005","11.9516","0.0004","15.2533","0.0005","90","","116.052","0.001","90","","2286.81","0.13","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Syn-N-[(cis-1-benzenesulfonyl-2-chloro-3-(4-chlorophenyl) aziridin-2-yl)phenylmethyl]isopropylamine","","- C24 H24 Cl2 N2 O2 S -","- C24 H24 Cl2 N2 O2 S -","- C96 H96 Cl8 N8 O8 S4 -","4","1","","Nicola Giubellina; Sven Mangelinckx; Karl W. Törnroos; Norbert De Kimpe","Synthesis of 2-Chloro-2-imidoylaziridines via Aza-Darzens-type Reaction of 3,3-Dichloro-1-azaallylic Anions and N-(Arylsulfonyl)imines","Journal of Organic Chemistry","2006","71","","5881","5887","10.1021/jo060241a","","","0.71073","MoKα","","0.0334","0.0296","","","0.0796","0.0829","","","","","","1.036","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021834","33.411","0.004","7.6918","0.0006","32.527","0.005","90","","93.011","0.004","90","","8347.8","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","chlorin45","","","- C45 H36 F3 N7 O6 -","- C45 H36 F3 N7 O6 -","- C360 H288 F24 N56 O48 -","8","1","","Michał Gałȩzowski; Daniel T. Gryko","Synthesis of Locked meso-β-Substituted Chlorins via 1,3-Dipolar Cycloaddition","Journal of Organic Chemistry","2006","71","","5942","5950","10.1021/jo060545x","","","0.71073","MoKα","","0.1187","0.0653","","","0.1517","0.1737","","","","","","0.935","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021835","8.7553","0.001","11.861","0.002","14.22","0.002","90.409","0.01","90.473","0.01","111.535","0.01","1373.5","0.4","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 I N2 O -","- C28 H39 I N2 O -","- C56 H78 I2 N4 O2 -","2","1","","Attila Paczal; Attila C. Bényei; András Kotschy","Modular Synthesis of Heterocyclic Carbene Precursors","Journal of Organic Chemistry","2006","71","","5969","5979","10.1021/jo060594+","","x-ray","0.71073","MoKα","","0.056","0.0496","","","0.1366","0.1416","","","","","","1.015","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021836","5.502","0.007","6.094","0.007","12.278","0.014","95.19","0.01","91.88","0.01","108.79","0.01","387.3","0.8","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C17 H23 N O4 -","1","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0373","0.0368","","","0.089","0.0893","","","","","","1.239","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021837","15.041","0.017","15.047","0.017","14.156","0.016","90","","90","","90","","3204","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","2","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0666","0.0568","","","0.1371","0.1422","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021838","10.311","0.012","11.648","0.013","13.537","0.015","90","","90","","90","","1626","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0908","0.0756","","","0.155","0.1624","","","","","","1.262","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021839","6.24","0.009","10.604","0.012","19.21","0.02","90","","90","","90","","1271","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0578","0.0448","","","0.1126","0.1195","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021840","8.4981","0.0012","8.948","0.0013","11.3983","0.0016","90","","109.065","0.002","90","","819.2","0.2","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Diisopropyl-4a,10a-dihydro-thianthrene","","- C18 H20 S2 -","- C18 H20 S2 -","- C36 H40 S4 -","2","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Ring Inversion Dynamics of Derivatives of Thianthrene Di- and Tetraoxide","Journal of Organic Chemistry","2006","71","","6248","6250","10.1021/jo0606610","","","0.71073","MoKα","","0.0413","0.0395","","","0.1061","0.1081","","","","","","1.064","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021841","10.899","0.0003","5.554","0.0001","17.6497","0.0003","90","","107.704","0.0014","90","","1017.79","0.04","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.044","0.0333","","0.0478","0.0421","0.0421","","","","","","1.0045","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021842","17.9961","0.0005","8.5436","0.0002","13.6219","0.0004","90","","94.962","0.0015","90","","2086.54","0.1","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C88 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0638","0.0372","","0.0265","0.0238","0.0238","","","","","","1.0403","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021843","11.1852","0.0004","12.1545","0.0005","14.9021","0.0005","90","","90","","90","","2025.95","0.13","200","","200","","","","","","","","local","3","P b c n","-P 2n 2ab","60","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0718","0.0319","","0.0699","0.0366","0.0366","","","","","","1.1094","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021844","14.0629","0.0003","5.2062","0.0001","14.6596","0.0003","90","","93.5888","0.0011","90","","1071.19","0.04","200","","200","","","","","","","","?","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0413","0.0305","","0.0423","0.0386","0.0386","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021845","5.8162","0.0001","19.9828","0.0006","21.1044","0.0006","90","","90","","90","","2452.84","0.11","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0644","0.0353","","0.0612","0.0389","0.0389","","","","","","1.1352","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021846","5.1908","0.0002","10.1089","0.0005","11.0009","0.0006","90.472","0.002","103.348","0.003","103.337","0.003","545.36","0.05","200","","200","","","","","","","","?","3","P -1","-P 1","2","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C28 H28 O4 -","2","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0377","0.0358","","0.0412","0.0397","0.0397","","","","","","1.1143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021847","11.7727","0.0002","9.2254","0.0002","12.0539","0.0003","90","","106.374","0.0014","90","","1256.05","0.05","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0475","0.0345","","0.0494","0.0412","0.0412","","","","","","1.0484","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021848","7.666","0.0018","9.906","0.002","11.42","0.003","80.496","0.003","82.929","0.004","88.154","0.004","848.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Yugang Chen; Mark G. Steinmetz","Photoactivation of Amino-Substituted 1,4-Benzoquinones for Release of Carboxylate and Phenolate Leaving Groups Using Visible Light","Journal of Organic Chemistry","2006","71","","6053","6060","10.1021/jo060790g","","","0.71073","MoKα","","0.1015","0.0601","","","0.1424","0.1625","","","","","","0.999","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021849","8.6303","0.0006","7.5224","0.0005","17.1285","0.0012","90","","98.932","0.001","90","","1098.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C44 H44 Cl8 N4 O8 -","4","1","","Yugang Chen; Mark G. Steinmetz","Photoactivation of Amino-Substituted 1,4-Benzoquinones for Release of Carboxylate and Phenolate Leaving Groups Using Visible Light","Journal of Organic Chemistry","2006","71","","6053","6060","10.1021/jo060790g","","","0.71073","MoKα","","0.0308","0.028","","","0.0791","0.0811","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021850","27.19","0.003","11.435","0.001","14.976","0.002","90","","113.257","0.009","90","","4278","1","153.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 S4 Si2 -","- C20 H20 S4 Si2 -","- C160 H160 S32 Si16 -","8","1","","Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda","Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates","Journal of Organic Chemistry","2006","71","","6110","6117","10.1021/jo0608063","","","0.7107","MoKα","","","0.0322","","","","0.1031","","","","","","1.163","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021851","11.358","0.002","15.466","0.004","9.749","0.002","90","","90","","90","","1712.5","0.6","298.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda","Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates","Journal of Organic Chemistry","2006","71","","6110","6117","10.1021/jo0608063","","","0.7107","MoKα","","","0.0606","","","","0.2111","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021852","29.66","0.012","4.99","0.002","22.643","0.01","90","","126.593","0.006","90","","2691","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C36 H36 O4 -","- C36 H36 O4 -","- C144 H144 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.1146","0.0594","","","0.096","0.1109","","","","","","0.916","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021853","13.635","0.003","7.9222","0.0014","20.448","0.004","90","","90.694","0.003","90","","2208.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O4 -","- C26 H34 O4 -","- C104 H136 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0645","0.0468","","","0.1186","0.1279","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021854","11.2907","0.0006","11.2907","0.0006","79.253","0.008","90","","90","","120","","8749.5","1.1","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C23 H26 O2 -","- C23 H26 O2 -","- C414 H468 O36 -","18","0.5","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0561","0.0504","","","0.1394","0.1455","","","","","","0.969","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021855","4.7571","0.0009","14.256","0.003","15.113","0.003","90","","91.62","0.003","90","","1024.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0635","0.0448","","","0.1176","0.1283","","","","","","1.027","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021856","8.0925","0.0007","22.9034","0.0019","10.7566","0.0009","90","","111.796","0.001","90","","1851.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","- C80 H72 Br8 O16 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.0454","0.0303","","","0.0692","0.0727","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021857","26.881","0.003","4.4185","0.0004","13.2856","0.0013","90","","90","","90","","1578","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H14 Br2 O2 -","- C18 H14 Br2 O2 -","- C72 H56 Br8 O8 -","4","1","","Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore","A Practical Synthesis of Bridged Diarylacetylenes","Journal of Organic Chemistry","2006","71","","6124","6129","10.1021/jo060817w","","","0.71073","MoKα","","0.038","0.0295","","","0.061","0.0634","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021858","9.0744","0.0008","12.5038","0.0012","19.0417","0.0018","90","","90","","90","","2160.6","0.3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Yi-Heng Sun; Xu-Hui Zhu; Zhao Chen; Yong Zhang; Yong Cao","Potential Solution Processible Phosphorescent Iridium Complexes toward Applications in Doped Light-Emitting Diodes: Rapid Syntheses and Optical and Morphological Characterizations","Journal of Organic Chemistry","2006","71","","6281","6284","10.1021/jo060840h","","","0.71073","MoKα","","0.0437","0.0335","","","0.0757","0.0816","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021859","7.2373","0.0004","13.5582","0.0008","19.6995","0.0011","90","","90","","90","","1933.01","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0414","0.0328","","","0.0765","0.0813","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021860","7.9606","0.0005","9.3051","0.0006","25.7461","0.0016","90","","90","","90","","1907.1","0.2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0463","0.0371","","","0.0945","0.0995","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021861","6.5874","0.0007","12.1639","0.0013","32.34","0.003","90","","90","","90","","2591.3","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O3 Si -","- C30 H37 N O3 Si -","- C120 H148 N4 O12 Si4 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0333","0.03","","","0.076","0.0785","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021862","7.3446","0.0002","10.1754","0.0003","16.0336","0.0005","90","","94.1618","0.0015","90","","1195.1","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N O8 -","- C23 H33 N O8 -","- C46 H66 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","","0.0346","","","","0.0399","","","","","","1.0484","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021863","7.4421","0.0003","6.2276","0.0003","23.7398","0.001","90","","98.6773","0.0013","90","","1087.66","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F3 N O8 -","- C20 H26 F3 N O8 -","- C40 H52 F6 N2 O16 -","2","1","","Timothy J. Donohoe; Caroline L. Rigby; Rhian E. Thomas; William F. Nieuwenhuys; Farrah L. Bhatti; Andrew R. Cowley; Gurdip Bhalay; Ian D. Linney","An Enzymatic Approach to the Desymmetrization of Disubstituted Pyrrolines","Journal of Organic Chemistry","2006","71","","6298","6301","10.1021/jo060926a","","","0.71073","MoKα","","0.0716","0.0611","","0.1633","0.1568","0.1568","","","","","","1.0975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021864","5.6798","0.0008","14.991","0.002","20.777","0.004","90","","90","","90","","1769.1","0.4","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0744","0.0688","","0.1912","0.1787","","","","1.044","1.05","1.05","","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021865","12.203","0.003","11.0105","0.0018","12.2933","0.0017","90","","98.444","0.013","90","","1633.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H43 N O8 -","- C30 H43 N O8 -","- C60 H86 N2 O16 -","2","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0739","0.0564","","","0.1501","0.166","","","","","","1.023","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021866","5.7926","0.0004","21.7959","0.0014","24.7014","0.0015","90","","90","","90","","3118.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O9 -","- C30 H45 N O9 -","- C120 H180 N4 O36 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54248","CuKα","","0.0458","0.0332","","","0.067","0.0716","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021867","9.166","0.003","15.547","0.005","10.174","0.004","90","","110.783","0.006","90","","1355.6","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0676","0.0407","","","0.089","0.0969","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021868","8.406","0.003","17.081","0.005","10.259","0.003","90","","94.155","0.005","90","","1469.2","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.065","0.0392","","","0.0948","0.1034","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021869","8.634","0.006","10.072","0.007","23.622","0.016","90","","90","","90","","2054","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0506","0.0341","","","0.0804","0.0867","","","","","","1.025","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021870","10.3615","0.0004","8.4311","0.0004","18.5887","0.0006","90","","98.806","0.0007","90","","1604.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 N O2 -","- C18 H13 Cl2 N O2 -","- C72 H52 Cl8 N4 O8 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0633","0.0382","","","0.0987","0.1073","","","","","","0.824","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021871","19.877","0.004","18.927","0.004","8.0012","0.0016","90","","90","","90","","3010.2","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0614","0.0474","","","0.1278","0.1322","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021872","10.3","0.002","14.278","0.003","11.79","0.002","90","","114.4","0.03","90","","1578.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C72 H56 Cl4 N4 O12 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0835","0.0493","","","0.1266","0.1374","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021873","7.9843","0.0016","19.014","0.004","10.55","0.002","90","","109.99","0.03","90","","1505.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen","Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters","Journal of Organic Chemistry","2006","71","","6592","6595","10.1021/jo060290n","","","0.71073","MoKα","","0.0921","0.0671","","","0.171","0.1904","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021874","9.335","0.004","11.521","0.005","17.934","0.008","90","","99.614","0.006","90","","1901.6","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl O Pd S2 -","- C21 H19 Cl O Pd S2 -","- C84 H76 Cl4 O4 Pd4 S8 -","4","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","0.71073","MoKα","","0.038","0.0319","","","0.0754","0.0784","","","","","","1.084","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021876","4.7602","0.0003","13.4131","0.0009","29.517","0.003","90","","90","","90","","1884.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N4 O6 -","- C20 H18 N4 O6 -","- C80 H72 N16 O24 -","4","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0648","0.0392","","","0.062","0.0666","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021877","13.2293","0.0004","4.8292","0.0001","15.8456","0.0004","90","","100.164","0.001","90","","996.44","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N4 O6 -","- C21 H20 N4 O6 -","- C42 H40 N8 O12 -","2","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0327","0.0305","","","0.0702","0.0714","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021878","9.373","0.006","9.802","0.005","10.391","0.008","71.79","0.04","70.18","0.04","72.29","0.04","831.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","MART064","[(R,S)-2-morpholino-3-spiro-1'-cyclohexyl-6-nitro-3,4-dihydro-2H- = 1,4-benzoxazine : 5f","","- C17 H23 N3 O4 -","- C17 H23 N3 O4 -","- C34 H46 N6 O8 -","2","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.0677","0.0504","","","0.124","0.1377","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021879","10.734","0.004","10.465","0.004","15.663","0.006","90","","107.34","0.02","90","","1679.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MART063","[(R,S)-2-morpholino-3-spiro-1'-cyclohexyl-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl]nitrile: 5e","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.0869","0.0483","","","0.1096","0.1286","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021880","31.003","0.013","7.393","0.004","20.004","0.008","90","","112.19","0.03","90","","4245","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MART061","[(R,S)-3,3-dimethyl-5-hydroxy-2-isobutylamino-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl] [2,6-dimethylphenyl] methanone : 3h.","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C184 H240 N16 O24 -","8","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.135","0.0623","","","0.1557","0.1944","","","","","","1.03","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021881","14.022","0.013","10.92","0.009","12.843","0.012","90","","92.64","0.05","90","","1964","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MART062","[(R,S)-3,3-dimethyl-5-hydroxy-2-isobutylamino-3,4-dihydro-2H- = 1,4-benzoxazin-6-yl] [4-fluorophenyl] methanone : 3f","","- C21 H25 F N2 O3 -","- C21 H25 F N2 O3 -","- C84 H100 F4 N8 O12 -","4","1","","Daiwang Xu; Angèle Chiaroni; Maurice-Bernard Fleury; Martine Largeron","Electrochemically Induced Cascade Reaction for the Assembly of Libraries of Biologically Relevant 1,4-Benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","6374","6381","10.1021/jo060452f","","","0.71073","MoKα","","0.1491","0.0658","","","0.1643","0.2129","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021882","9.1682","0.0014","13.934","0.002","14.818","0.002","103.742","0.002","102.728","0.002","103.863","0.002","1706.3","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Br N3 O3 -","- C39 H42 Br N3 O3 -","- C78 H84 Br2 N6 O6 -","2","1","","Wannaporn Disadee; Tsutomu Ishikawa; Masatoshi Kawahata; Kentaro Yamaguchi","Guanidinium Ylide Mediated Aziridination: Identification of a Spiro Imidazolidine-Oxazolidine Intermediate","Journal of Organic Chemistry","2006","71","","6600","6603","10.1021/jo060531r","","","0.71073","MoKα","","0.0684","0.0468","","","0.1162","0.1279","","","","","","1.027","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021883","15.461","0.003","19.71","0.004","5.7408","0.0011","90","","90","","90","","1749.4","0.6","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 O4 P -","- C21 H19 O4 P -","- C84 H76 O16 P4 -","4","1","","Babak Kaboudin; Hamideh Haghighat; Tsutomu Yokomatsu","A Novel Method for the Separation of Bis(α-hydroxyalkyl)phosphinic Acid Diastereoisomers via Formation of Novel Cyclic Phosphinic Acids","Journal of Organic Chemistry","2006","71","","6604","6606","10.1021/jo060547h","","","0.71073","MoKα","","0.0646","0.0415","","","0.0797","0.0874","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021884","12.5986","0.0006","8.2876","0.0004","20.2572","0.001","90","","90","","90","","2115.1","0.18","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson","Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions","Journal of Organic Chemistry","2006","71","","6397","6402","10.1021/jo0605851","","","0.71073","MoKα","","0.0567","0.0481","","","0.1299","0.136","","","","","","1.247","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021885","10.359","0.0005","21.7109","0.001","16.1006","0.0007","90","","106.263","0.001","90","","3476.2","0.3","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H20 O3 -","- C20.5 H20 O3 -","- C164 H160 O24 -","8","2","","Benjamin D. Stevens; Christopher J. Bungard; Scott G. Nelson","Strategies for Expanding Structural Diversity Available from Olefin Isomerization-Claisen Rearrangement Reactions","Journal of Organic Chemistry","2006","71","","6397","6402","10.1021/jo0605851","","","0.71073","MoKα","","0.1535","0.0764","","","0.1658","0.1899","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021886","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Terunobu Saitoh; Suguru Yoshida; Junji Ichikawa","Naphthalene-1,8-diylbis(diphenylmethylium) as an Organic Two-Electron Oxidant: Benzidine Synthesis via Oxidative Self-Coupling of N,N-Dialkylanilines","Journal of Organic Chemistry","2006","71","","6414","6419","10.1021/jo060662s","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021887","31.582","0.0008","7.466","0.0002","11.068","0.0002","90","","109.485","0.002","90","","2460.27","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O -","- C30 H31 N O -","- C120 H124 N4 O4 -","4","1","","José M. Concellón; Pablo L. Bernad; Virginia del Solar; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Synthesis of Enantiopure (αS,βS)- or (αR,βR)-Amino Alcohols by Complete Regioselective Opening of Aminoepoxides by Organolithium Reagents LiAlH~4~ ir LiAlD~4~","Journal of Organic Chemistry","2006","71","","6420","6426","10.1021/jo0606756","","","1.54184","CuKα","","0.0513","0.0338","","","0.0778","0.0883","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021888","11.63","0.0005","11.7664","0.0005","17.036","0.0008","90","","108.827","0.001","90","","2206.53","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N4 O4 -","- C20 H32 N4 O4 -","- C80 H128 N16 O16 -","4","2","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1579","0.0627","","","0.1551","0.1928","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021889","9.3241","0.0006","24.0941","0.0015","27.4957","0.0017","90","","90","","90","","6177.1","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H74 B2 F8 N4 O6 Pd2 -","- C58 H74 B2 F8 N4 O6 Pd2 -","- C232 H296 B8 F32 N16 O24 Pd8 -","4","1","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1092","0.0741","","","0.1779","0.1993","","","","","","1.023","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021890","6.8302","0.0007","21.142","0.002","23.441","0.003","90","","90","","90","","3384.9","0.6","150","1","150","1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31 H34 F12 N4 O P2 S -","- C31 H34 F12 N4 O P2 S -","- C124 H136 F48 N16 O4 P8 S4 -","4","0.25","","Hai-Bo Yang; Neeladri Das; Feihe Huang; Adam M. Hawkridge; David D. Díaz; Atta M. Arif; M. G. Finn; David C. Muddiman; Peter J. Stang","Incorporation of 2,6-Di(4,4'-dipyridyl)-9-thiabicyclo[3.3.1]nonane into Discrete 2D Supramolecules via Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2006","71","","6644","6647","10.1021/jo0608117","","","0.71073","MoKα","","0.127","0.0758","","","0.1807","0.2126","","","","","","1.047","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021891","8.7399","0.0018","8.9692","0.0018","9.1427","0.0019","62.293","0.004","65.552","0.004","69.368","0.004","566.1","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","1","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1266","0.0516","","","0.1009","0.1191","","","","","","0.752","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021892","7.726","0.0019","7.977","0.002","42.958","0.011","90","","90","","90","","2647.4","1.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C136 H96 N8 O8 S8 -","4","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1978","0.0674","","","0.1358","0.1657","","","","","","0.851","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021893","7.7042","0.0013","18.073","0.003","14.668","0.003","90","","98.44","0.004","90","","2020.3","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 B N O -","- C27 H20 B N O -","- C108 H80 B4 N4 O4 -","4","2","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1618","0.0435","","","0.0695","0.0898","","","","","","0.719","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021894","12.403","0.004","13.052","0.004","18.606","0.006","104.016","0.007","102.524","0.006","103.065","0.006","2726.6","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56.5 H41.5 Cl7.5 N3 O3 -","- C54 H39 N3 O3 -","- C108 H78 N6 O6 -","2","1","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1836","0.0791","","","0.1966","0.2263","","","","","","0.761","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021895","7.0433","0.0003","11.6066","0.0004","14.5664","0.0008","90","","101.33","0.002","90","","1167.57","0.09","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O2 S -","- C13 H16 O2 S -","- C52 H64 O8 S4 -","4","1","","Yuji Miyahara","A New General Route to Thiophenophanes: Synthesis and Properties of [n](2,5)Thiophenophane-1,n-diones","Journal of Organic Chemistry","2006","71","","6516","6521","10.1021/jo060889n","","","0.7107","MoKα","","","0.0339","","","","0.1169","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021896","15.803","0.003","22.033","0.004","19.949","0.003","90","","103.148","0.004","90","","6763.9","1.9","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Zn4{(R)-3,3'-bis(Ph2P=O)-BINOLate}(m4-O)](CH2Cl2)3","","","- C135 H96 Cl6 O13 P6 Zn4 -","- C135 H96 Cl6 O13 P6 Zn4 -","- C270 H192 Cl12 O26 P12 Zn8 -","2","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1168","0.0709","","","0.1812","0.2066","","","","","","1.087","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021897","10.709","0.005","18.515","0.005","53.426","0.005","90","0.005","90.282","0.005","90","0.005","10593","6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C528 H384 O48 P24 -","12","3","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71069","MoKα","","0.0686","0.0555","","","0.132","0.1391","","","","","","1.018","","","","has coordinates","259535","2020-12-04","06:04:52",""
"4021898","24.535","0.006","6.0496","0.0015","23.504","0.006","90","","98.006","0.005","90","","3454.6","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-3,3'-bis(diphenylphosphinoyl)-BINOL","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C176 H128 O16 P8 -","4","1","","Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara","3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes","Journal of Organic Chemistry","2006","71","","6474","6484","10.1021/jo060908t","","","0.71073","MoKα","","0.1402","0.0703","","","0.1147","0.1389","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021899","30.19","0.003","23.5668","0.0018","25.858","0.002","90","","115.333","0.002","90","","16629","2","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,3,5,7,9-penta-tert-butylcorannulene","","- C40 H50 -","- C39.93 H49.9 -","- C798.6 H998 -","20","5","","Yulia Sevryugina; Andrey Yu. Rogachev; Edward A. Jackson; Lawrence T. Scott; Marina A. Petrukhina","X-ray and Density Functional Theory Structural Study of 1,3,5,7,9-Penta-tert-butylcorannulene, C~40~H~50~","Journal of Organic Chemistry","2006","71","","6615","6618","10.1021/jo060933z","","","0.71073","MoKα","","0.2313","0.1692","","","0.299","0.3267","","","","","","1.122","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021900","8.3006","0.0002","10.7427","0.0002","14.3728","0.0004","90","","95.137","0.001","90","","1276.49","0.05","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound X","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Laura A. McAllister; Kristy L. Turner; Stephen Brand; Mark Stefaniak; David J. Procter","Solid Phase Approaches to N-Heterocycles Using a Sulfur Linker Cleaved by SmI~2~","Journal of Organic Chemistry","2006","71","","6497","6507","10.1021/jo060940n","","","0.71073","MoKα","","0.0555","0.0425","","","0.1064","0.1146","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021901","4.811","0.005","7.525","0.008","10.678","0.011","83.007","0.012","85.592","0.013","78.525","0.012","375.5","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 O3 S2 -","- C6 H6 O3 S2 -","- C12 H12 O6 S4 -","2","1","","Nicolas Eghbali; D. Scott Bohle; David N. Harpp","Synthesis of New Cyclic Dialkoxy Disulfides","Journal of Organic Chemistry","2006","71","","6659","6661","10.1021/jo060944s","","","0.71073","MoKα","","0.0348","0.0333","","","0.1043","0.1066","","","","","","0.961","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021902","9.8124","0.0013","10.8017","0.0014","11.0897","0.0013","113.836","0.003","115.303","0.003","91.97","0.003","941","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C40 H44 N8 O6 -","2","1","","Laura D. Shirtcliff; Jazmin Rivers; Michael M. Haley","Synthesis of 2H-Indazoles via Lewis Acid Promoted Cyclization of 2-(Phenylazo)benzonitriles","Journal of Organic Chemistry","2006","71","","6619","6622","10.1021/jo060965m","","","0.71073","MoKα","","0.0838","0.0483","","","0.1024","0.1209","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021903","9.0546","0.001","23.673","0.002","14.153","0.002","90","","104.083","0.005","90","","2942.4","0.6","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C71 H72 Cl2 O8 -","- C71 H72 Cl2 O8 -","- C142 H144 Cl4 O16 -","2","1","","Kazunori Tsubaki; Hiroyuki Tanaka; Kazuto Takaishi; Masaya Miura; Hiroshi Morikawa; Takumi Furuta; Kiyoshi Tanaka; Kaoru Fuji; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata","Bottom-Up Synthesis of Optically Active Oligonaphthalenes: Three Different Pathways for Controlling Axial Chirality","Journal of Organic Chemistry","2006","71","","6579","6587","10.1021/jo060974v","","","0.7107","MoKα","","","0.054","","","","0.146","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021904","32.441","0.001","15.9505","0.0005","9.9787","0.0003","90","","90","","90","","5163.5","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H34 Cr O5 Si -","- C26 H34 Cr O5 Si -","- C208 H272 Cr8 O40 Si8 -","8","2","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0345","0.0292","","","0.0717","0.075","","","","","","1.039","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021905","9.7249","0.0004","21.6847","0.0009","14.6103","0.0006","90","","102.439","0.001","90","","3008.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cr O5 Si2 -","- C28 H42 Cr O5 Si2 -","- C112 H168 Cr4 O20 Si8 -","4","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0448","0.0354","","","0.0903","0.0955","","","","","","1.071","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021906","17.5783","0.0016","18.3011","0.0018","21.379","0.002","90","","90","","90","","6877.5","1.2","83","3","83","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cr O6 Si -","- C37 H42 Cr O6 Si -","- C296 H336 Cr8 O48 Si8 -","8","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0594","0.0448","","","0.109","0.1189","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021907","8.7767","0.0018","22.603","0.005","10.482","0.002","90","","90.287","0.003","90","","2079.3","0.7","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 B F N O -","- C24 H29 B F N O -","- C96 H116 B4 F4 N4 O4 -","4","2","","Peter Shapland; Edwin Vedejs","Isopinocampheylborane Derivatives with >99% ee via the DMAP Complex","Journal of Organic Chemistry","2006","71","","6666","6669","10.1021/jo061002q","","","0.71073","MoKα","","0.0661","0.0427","","","0.0861","0.0921","","","","","","0.991","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021908","12.4457","0.0006","15.6835","0.0009","20.44","0.001","106.507","0.003","96.998","0.004","102.985","0.003","3653.1","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H112 O14 P4 Pt2 -","- C70.5 H110 O14 P4 Pt1.9 -","- C141 H220 O28 P8 Pt3.8 -","2","1","","Feihe Huang; Hai-Bo Yang; Neeladri Das; Umamageswaran Maran; Atta M. Arif; Harry W. Gibson; Peter J. Stang","Incorporating a Flexible Crown Ether into Neutral Discrete Self-Assemblies Driven by Metal Coordination","Journal of Organic Chemistry","2006","71","","6623","6625","10.1021/jo061007n","","","0.71073","MoKα","","0.1041","0.0718","","","0.1813","0.2116","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021909","10.4332","0.0003","16.4733","0.0004","21.4199","0.0006","90","","90.01","0.001","90","","3681.42","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C160 H208 N16 O24 -","8","2","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1995","0.058","","","0.0853","0.104","","","","","","1.065","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021910","12.8635","0.0003","12.1962","0.0003","21.3633","0.0006","90","","90","","90","","3351.6","0.15","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1075","0.0532","","","0.0942","0.1113","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021911","11.0013","0.0002","11.1975","0.0002","12.6806","0.0003","107.147","0.001","108.1","0.001","98.967","0.001","1365.12","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O5 S2 -","- C28 H36 N2 O5 S2 -","- C56 H72 N4 O10 S4 -","2","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1019","0.0574","","","0.1121","0.1322","","","","","","1.001","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021912","18.57","0.003","9.8463","0.0014","18.461","0.003","90","","100.472","0.003","90","","3319.2","0.8","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N3 O6 -","- C20 H11 N3 O6 -","- C160 H88 N24 O48 -","8","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of 2,6,14- and 2,7,14-Trisubstituted Triptycene Derivatives","Journal of Organic Chemistry","2006","71","","6626","6629","10.1021/jo061067t","","","0.7107","MoKα","","","0.0548","","","","0.1508","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021913","12.6019","0.0015","16.4583","0.0019","20.154","0.002","90","","90","","90","","4180.1","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 I6 -","- C45 H22 I6 -","- C180 H88 I24 -","4","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of 2,6,14- and 2,7,14-Trisubstituted Triptycene Derivatives","Journal of Organic Chemistry","2006","71","","6626","6629","10.1021/jo061067t","","","0.71073","MoKα","","0.0648","0.04","","","0.101","0.1124","","","","","","1.08","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021914","7.172","0.002","10.348","0.003","11.029","0.003","90","","104.856","0.011","90","","791.2","0.4","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","Paquette 1402","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C28 H44 N4 O12 S4 -","4","1","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.0467","0.0371","","","0.0813","0.0847","","","","","","1.042","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021915","8.448","0.002","8.554","0.002","27.028","0.006","90","","90.982","0.007","90","","1952.9","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","Paquette 1473","","","- C19 H26 N4 O4 S -","- C19 H26 N4 O4 S -","- C76 H104 N16 O16 S4 -","4","2","","Adam J. Preston; Judith C. Gallucci; Leo A. Paquette","Synthesis and Selected Reactions of a Bicyclic Sultam Having Sulfur at the Apex Position","Journal of Organic Chemistry","2006","71","","6573","6578","10.1021/jo0611162","","x-ray","0.71073","MoKα","","0.051","0.0365","","","0.0705","0.0759","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021916","7.9412","0.0009","12.6199","0.0014","13.4644","0.0015","90","","100.658","0.002","90","","1326.1","0.3","173","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br O5 -","- C14 H15 Br O5 -","- C56 H60 Br4 O20 -","4","1","","Soo-Im Chung; Joobeom Seo; Cheon-Gyu Cho","Tandem Diels-Alder Cycloadditions of 2-Pyrone-5-acrylates for the Efficient Synthesis of Novel Tetracyclolactones","Journal of Organic Chemistry","2006","71","","6701","6704","10.1021/jo061119e","","","0.71073","MoKα","","0.0456","0.0319","","","0.0742","0.0799","","","","","","1.039","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021917","6.5969","0.0008","9.805","0.0012","11.5438","0.0015","87.85","0.015","83.935","0.015","88.231","0.015","741.71","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","9-Acetyl-Triamantan","","","- C20 H26 O -","- C20 H26 O -","- C40 H52 O2 -","2","1","","Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin","Functionalized Nanodiamonds: Triamantane and [121]Tetramantane","Journal of Organic Chemistry","2006","71","","6709","6720","10.1021/jo052646l","","","0.71073","MoKα","","0.0686","0.041","","","0.1119","0.1243","","","","","","0.991","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021918","9.614","0.002","8.0531","0.0018","12.265","0.003","90","","99.09","0.03","90","","937.7","0.4","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,16-Diacetyl-Tetramantan","","","- C26 H32 O2 -","- C26 H32 O2 -","- C52 H64 O4 -","2","0.5","","Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin","Functionalized Nanodiamonds: Triamantane and [121]Tetramantane","Journal of Organic Chemistry","2006","71","","6709","6720","10.1021/jo052646l","","","0.71073","MoKα","","0.1023","0.0621","","","0.162","0.185","","","","","","1.153","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021919","25.46","0.008","10.292","0.006","16.264","0.006","90","","98.503","0.011","90","","4215","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H46 Mn3 N4 O12 -","- C40 H41 Mn2.989 N4 O12 -","- C160 H164 Mn11.956 N16 O48 -","4","1","","Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang","Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes","Journal of Organic Chemistry","2006","71","","6721","6727","10.1021/jo060709+","","","0.71073","MoKα","","0.0553","0.0414","","","0.0964","0.1041","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021920","11.4098","0.0014","12.4332","0.0014","26.421","0.003","90","","98.624","0.003","90","","3705.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Mn3 N4 O12 -","- C36 H34 Mn3.004 N4 O12 -","- C144 H136 Mn12.016 N16 O48 -","4","0.5","","Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang","Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes","Journal of Organic Chemistry","2006","71","","6721","6727","10.1021/jo060709+","","","0.71073","MoKα","","0.1039","0.0785","","","0.2114","0.231","","","","","","1.038","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021921","10.8344","0.0015","18.814","0.003","8.0715","0.0011","90","","96.537","0.003","90","","1634.6","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N -","- C20 H18 F3 N -","- C80 H72 F12 N4 -","4","1","","Rajendra Prasad Korivi; Chien-Hong Cheng","Nickel-Catalyzed Cyclization of 2-Iodoanilines with Aroylalkynes: An Efficient Route for Quinoline Derivatives","Journal of Organic Chemistry","2006","71","","7079","7082","10.1021/jo060800d","","","0.71073","MoKα","","0.1174","0.0686","","","0.1928","0.2097","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021922","10.6031","0.0007","11.5144","0.0008","18.735","0.0013","90","","98.822","0.001","90","","2260.3","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H55 N O9 S -","- C48 H55 N O9 S -","- C96 H110 N2 O18 S2 -","2","1","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.0393","0.0371","","","0.1018","0.104","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021923","15.8067","0.0008","17.1839","0.0008","34.6122","0.0017","90","","90","","90","","9401.4","0.8","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H63 N2 O9 S Si2 -","- C35 H63 N2 O9 S Si2 -","- C280 H504 N16 O72 S8 Si16 -","8","2","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.2846","0.0927","","","0.2114","0.3167","","","","","","0.965","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021924","36.6969","0.0005","11.5239","0.0002","15.7065","0.0002","90","","102.023","0.0007","90","","6496.45","0.17","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu N4 O -","- C40 H36 Cu N4 O -","- C320 H288 Cu8 N32 O8 -","8","1","","Joydev K. Laha; Chinnasamy Muthiah; Masahiko Taniguchi; Jonathan S. Lindsey","A New Route for Installing the Isocyclic Ring on Chlorins Yielding 13^1^-Oxophorbines","Journal of Organic Chemistry","2006","71","","7049","7052","10.1021/jo0608265","","","0.71073","MolybdenumKα","","0.07","0.054","","0.147","0.055","","","","","2.07","2.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021925","19.6992","0.0013","29.454","0.002","6.1556","0.0002","90","","90","","90","","3571.6","0.4","298","","","","","","","","","","Synthesis","4","P 21 21 2","P 2 2ab","18","","","","- C35 H47 N5 O6 -","- C35 H47 N5 O6 -","- C140 H188 N20 O24 -","4","1","","Anna S. Norgren; Frank Büttner; Samran Prabpai; Palangpon Kongsaeree; Per I. Arvidsson","β^2^-Amino Acids in the Design of Conformationally Homogeneous cyclo-Peptide Scaffolds","Journal of Organic Chemistry","2006","71","","6814","6821","10.1021/jo060854n","","x-ray","0.71073","MoKα","","0.1532","0.1204","","","0.3076","0.3416","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021926","15.419","0.0009","7.0236","0.0004","30.8348","0.0018","90","","90","","90","","3339.3","0.3","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.068","0.0405","","","0.0922","0.1062","","","","","","1.012","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021927","8.5415","0.0011","11.5119","0.0015","13.4368","0.0018","113.89","0.002","94.826","0.002","91.961","0.002","1200.4","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N4 O6 -","- C25 H32 N4 O6 -","- C50 H64 N8 O12 -","2","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0502","0.0364","","","0.0922","0.1016","","","","","","1.018","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021928","8.0052","0.0015","11.777","0.002","12.237","0.002","87.037","0.004","84.042","0.003","86.669","0.003","1144.3","0.4","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O5 -","- C25 H32 N2 O5 -","- C50 H64 N4 O10 -","2","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0593","0.0383","","","0.0917","0.1046","","","","","","1.01","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021929","14.1248","0.0018","11.8471","0.0015","19.754","0.003","90","","98.782","0.002","90","","3266.9","0.7","171","2","171","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C128 H176 N16 O40 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.1304","0.05","","","0.1271","0.1819","","","","","","1.021","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021930","8.8274","0.0014","42.094","0.007","7.8988","0.0013","90","","104.349","0.003","90","","2843.5","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0562","0.0421","","","0.0987","0.1082","","","","","","1.085","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021931","6.6669","0.0009","32.636","0.005","6.7762","0.001","90","","104.551","0.002","90","","1427.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0551","0.0412","","","0.1007","0.1097","","","","","","1.054","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021932","7.5049","0.0006","9.4498","0.0007","19.6691","0.0016","90","","94.676","0.001","90","","1390.29","0.19","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.0426","0.0352","","","0.0965","0.1038","","","","","","1.031","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021933","11.812","0.003","10.601","0.003","22.291","0.006","90","","100.453","0.005","90","","2745.1","1.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 O2.5 -","- C13 H27 O2.5 -","- C104 H216 O20 -","8","2","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.1141","0.0482","","","0.0985","0.1295","","","","","","1.058","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021934","11.3709","0.0017","15.214","0.003","7.2459","0.0009","90","","90.484","0.011","90","","1253.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O S2 -","- C11 H13 N3 O S2 -","- C44 H52 N12 O4 S8 -","4","2","","Shinji Yamada; Tomoko Misono; Yuko Iwai; Ayako Masumizu; Yukiko Akiyama","New Class of Pyridine Catalyst Having a Conformation Switch System: Asymmetric Acylation of Various sec-Alcohols","Journal of Organic Chemistry","2006","71","","6872","6880","10.1021/jo060989t","","","1.54178","CuKα","","0.0439","0.0397","","","0.1101","0.1133","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021935","9.6935","0.0011","11.6333","0.0014","8.035","0.0011","108.982","0.009","100.171","0.01","70.47","0.009","805.17","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br N3 O S2 -","- C12 H16 Br N3 O S2 -","- C24 H32 Br2 N6 O2 S4 -","2","1","","Shinji Yamada; Tomoko Misono; Yuko Iwai; Ayako Masumizu; Yukiko Akiyama","New Class of Pyridine Catalyst Having a Conformation Switch System: Asymmetric Acylation of Various sec-Alcohols","Journal of Organic Chemistry","2006","71","","6872","6880","10.1021/jo060989t","","","1.54178","CuKα","","0.0782","0.077","","","0.2759","0.2808","","","","","","1.053","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021936","14.0776","0.0017","15.6931","0.0019","18.185","0.002","90","","106.286","0.003","90","","3856.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N6 -","- C48 H42 N6 -","- C192 H168 N24 -","4","1","","Rosa M. Claramunt; Pilar Cornago; Verónica Torres; Elena Pinilla; M. Rosario Torres; André Samat; Vladimir Lokshin; Magali Valés; José Elguero","The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study","Journal of Organic Chemistry","2006","71","","6881","6891","10.1021/jo0609935","","","0.71073","MoKα","","0.2871","0.0642","","","0.1296","0.198","","","","","","0.788","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021937","12.1905","0.0012","5.1933","0.0005","23.579","0.002","90","","103.88","0.002","90","","1449.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 N2 -","- C17 H13 F3 N2 -","- C68 H52 F12 N8 -","4","1","","Rosa M. Claramunt; Pilar Cornago; Verónica Torres; Elena Pinilla; M. Rosario Torres; André Samat; Vladimir Lokshin; Magali Valés; José Elguero","The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study","Journal of Organic Chemistry","2006","71","","6881","6891","10.1021/jo0609935","","","0.71073","MoKα","","0.0815","0.0436","","","0.1102","0.124","","","","","","0.93","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021938","6.7244","0.0013","8.0417","0.0016","13.879","0.003","76.24","0.03","89.16","0.03","83.32","0.03","724","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Chuang-Chuang Li; Cui-Hua Wang; Bo Liang; Xin-Hao Zhang; Lu-Jiang Deng; Shuang Liang; Jia-Hua Chen; Yun-Dong Wu; Zhen Yang","Synthetic Study of 1,3-Butadiene-Based IMDA Approach to Construct a [5-7-6] Tricyclic Core and Its Application to the Total Synthesis of C8-epi-Guanacastepene O","Journal of Organic Chemistry","2006","71","","6892","6897","10.1021/jo060996h","","","0.71073","MoKα","","0.0776","0.0455","","","0.1063","0.1128","","","","","","1.002","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021939","10.019","0.002","9.0397","0.0018","17.986","0.004","90","","99.99","0.03","90","","1604.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chuang-Chuang Li; Cui-Hua Wang; Bo Liang; Xin-Hao Zhang; Lu-Jiang Deng; Shuang Liang; Jia-Hua Chen; Yun-Dong Wu; Zhen Yang","Synthetic Study of 1,3-Butadiene-Based IMDA Approach to Construct a [5-7-6] Tricyclic Core and Its Application to the Total Synthesis of C8-epi-Guanacastepene O","Journal of Organic Chemistry","2006","71","","6892","6897","10.1021/jo060996h","","","0.71073","MoKα","","0.0871","0.043","","","0.0992","0.1063","","","","","","0.994","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021940","4.8595","0.0009","6.1554","0.001","12.589","0.002","83.486","0.003","88.86","0.004","74.263","0.003","360.09","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H26 N4 -","- C14 H26 N4 -","- C14 H26 N4 -","1","0.5","","Takashi Mino; Yoshiaki Shirae; Yousuke Sasai; Masami Sakamoto; Tsutomu Fujita","Phosphine-Free Palladium Catalyzed Mizoroki-Heck Reaction Using Hydrazone as a Ligand","Journal of Organic Chemistry","2006","71","","6834","6839","10.1021/jo0610006","","","0.71073","MoKα","","0.0852","0.0577","","","0.1384","0.1575","","","","","","0.992","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021941","11.195","0.003","15.666","0.006","9.728","0.003","90","0","90","0","90","0","1706.1","0.9","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,4S,4aR,5R,6S,7S,8aR)-1-Methoxy-4-methoxymethoxy-1,5,7,8a-tetramethyl- 4a,5,6,7,8,8a-hexahydroisochroman-6-ol","","- C16 H30 O5 -","- C16 H30 O5 -","- C64 H120 O20 -","4","1","","Asano, Moriteru; Inoue, Munenori; Watanabe, Kazuhiro; Abe, Hideki; Katoh, Tadashi","Synthetic Studies toward GKK1032s, Novel Antibiotic Antitumor Agents: Enantioselective Synthesis of the Fully Elaborated Tricyclic Core via an Intramolecular Diels-Alder Cycloaddition","Journal of Organic Chemistry","2006","71","18","6942","6951","10.1021/jo0610208","","","1.54178","CuK-alpha","","","0.0396","","","0.0477","","","","","2.3986","2.3986","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021942","9.3215","0.0002","10.8327","0.0002","13.7718","0.0002","90","","106.425","0.001","90","","1333.88","0.04","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O5 P -","- C24 H39 N2 O5 P -","- C48 H78 N4 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0425","0.0354","","","0.0939","0.0991","","","","","","1.046","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021943","6.0341","0.0001","6.6249","0.0002","16.5069","0.0005","90","","98.184","0.001","90","","653.15","0.03","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C22 H32 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0433","0.0366","","","0.0944","0.1061","","","","","","1.114","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021944","6.7943","0.0013","8.718","0.003","11.059","0.004","90","","90","","90","","655.1","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 F N O3 P -","- C4 H9 F N O3 P -","- C16 H36 F4 N4 O12 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0258","0.0234","","0.0638","0.0627","","","","1.066","1.08","1.08","","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021945","15.3035","0.0016","10.3641","0.0011","14.1931","0.0015","90","","101.189","0.002","90","","2208.3","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H29 N O5.5 P -","- C18 H29 N O5.5 P -","- C72 H116 N4 O22 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.073","0.0438","","","0.1042","0.1168","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021946","7.1087","0.0003","10.2928","0.0005","13.5073","0.0006","90","","99.401","0.002","90","","975.03","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 N O5 P -","- C15 H30 N O5 P -","- C30 H60 N2 O10 P2 -","2","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.065","0.0442","","","0.0977","0.1088","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021947","15.706","0.005","8.93","0.003","12.969","0.005","90","","90","","90","","1818.8","1.1","173.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","","Nitin T. Patil; Zhibao Huo; Yoshinori Yamamoto","Palladium-Catalyzed Decarboxylative Aza-Michael Addition-Allylation Reactions between Allyl Carbamates and Activated Olefins. Generation of Quaternary Carbon Adjacent to Secondary Amine Carbon Center","Journal of Organic Chemistry","2006","71","","6991","6995","10.1021/jo061110c","","","0.7107","MoKα","","","0.0264","","","","0.0595","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021948","9.2755","0.0002","13.5333","0.0003","25.1099","0.0007","90","","90","","90","","3152","0.13","180","2","180","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C37 H32 N2 O9 -","- C37 H32 N2 O9 -","- C148 H128 N8 O36 -","4","0.5","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0961","0.0488","","","0.1199","0.1423","","","","","","1.053","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021949","8.087","0.0001","8.2484","0.0001","12.1896","0.0003","82.999","0.001","81.897","0.001","68.672","0.001","747.65","0.02","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","- C36 H29 N3 O8 -","1","1","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0347","0.0339","","","0.0957","0.0965","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021950","7.4919","0.0003","9.0192","0.0003","49.8755","0.0018","90","","90","","90","","3370.1","0.2","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H21 Br O5 -","- C17 H21 Br O5 -","- C136 H168 Br8 O40 -","8","1","","Tobias Bender; Tim Schuhmann; Jörg Magull; Stephanie Grond; Paultheo von Zezschwitz","Comprehensive Study of Okaspirodiol: Characterization, Total Synthesis, and Biosynthesis of a New Metabolite from Streptomyces","Journal of Organic Chemistry","2006","71","","7125","7132","10.1021/jo060149e","","","1.54178","CuKα","","0.0294","0.0286","","","0.0644","0.0648","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021951","8.9558","0.0001","22.6588","0.0003","13.5142","0.0002","90","","109.24","0.001","90","","2589.23","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","N,N'-Dibenzhydrylbisoidine","3,7-Bis(1,1-diphenylmetyl)-3,7-diazabicyclo[3.3.1]nonane","","- C33 H34 N2 -","- C33 H34 N2 -","- C132 H136 N8 -","4","1","","Lauri Toom; Agnes Kütt; Ivari Kaljurand; Ivo Leito; Henrik Ottosson; Helena Grennberg; Adolf Gogoll","Substituent Effects on the Basicity of 3,7-Diazabicyclo[3.3.1]nonanes","Journal of Organic Chemistry","2006","71","","7155","7164","10.1021/jo0604991","","","0.71073","MoKα","","0.0699","0.0507","","","0.1167","0.1283","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021952","16.2829","0.0009","9.8672","0.0005","17.0435","0.0009","90","","107.847","0.001","90","","2606.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","allenyl triethylamine salt","","","- C27 H36 Cl N O3 -","- C27 H36 Cl N O3 -","- C108 H144 Cl4 N4 O12 -","4","1","","Galla V. Karunakar; Mariappan Periasamy","Conversion of Propargyl Alcohols to Chloroallenes and Arylalkynes Using the TiCl~4~/R~3~N Reagent System","Journal of Organic Chemistry","2006","71","","7463","7466","10.1021/jo060683m","","","0.71073","MoKα","","0.1143","0.0821","","","0.261","0.2959","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021953","8.547","0.003","6.899","0.002","9.743","0.003","90","","101.65","0.007","90","","562.7","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","meso-(4R,5R,6S,7S)decane-4,5,6,7-tetraol","","- C10 H22 O4 -","- C10 H22 O4 -","- C20 H44 O8 -","2","0.5","","Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","Osmium Catalyzed Dihydroxylation of 1,2-Dioxines: A New Entry for Stereoselective Sugar Synthesis","Journal of Organic Chemistry","2006","71","","7236","7244","10.1021/jo060949p","","","0.71069","MoKα","","0.05","0.046","","","0.124","0.128","","","","","","1.1","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021954","12.3799","0.0005","24.2382","0.0012","21.2644","0.001","90","","101.707","0.005","90","","6248","0.5","200","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H98 Cl24 O15 P4 -","- C104 H98 Cl24 O15 P4 -","- C208 H196 Cl48 O30 P8 -","2","1","","Benoît Laleu; Gérald Bernardinelli; Remi Chauvin; Jérôme Lacour","Trimesitylmethylphosphonium Cation. Supramolecular Stereocontrol and Simple Enantiomerization Mechanism Determination","Journal of Organic Chemistry","2006","71","","7412","7416","10.1021/jo061097w","","","0.71073","MoKα","","","0.044","","","","0.042","","","","","","1.28","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021955","9.6273","0.0007","16.1782","0.0012","11.0361","0.0008","90","","106.487","0.001","90","","1648.2","0.2","198","2","198","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Franck Caussanel; Keyan Wang; Sreekanth A. Ramachandran; Pierre Deslongchamps","Synthetic Approach Toward the Total Synthesis of Kempane Diterpenes via Transannular Diels-Alder Strategy","Journal of Organic Chemistry","2006","71","","7370","7377","10.1021/jo061230k","","","0.71073","MoKα","","0.0592","0.0404","","","0.1044","0.114","","","","","","1.042","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021956","6.6318","0.0016","10.293","0.003","13.75","0.003","99.427","0.005","96.076","0.004","107.618","0.004","870.3","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Franck Caussanel; Keyan Wang; Sreekanth A. Ramachandran; Pierre Deslongchamps","Synthetic Approach Toward the Total Synthesis of Kempane Diterpenes via Transannular Diels-Alder Strategy","Journal of Organic Chemistry","2006","71","","7370","7377","10.1021/jo061230k","","x-ray","0.71073","MoKα","","0.0775","0.0693","","","0.1707","0.1743","","","","","","0.993","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021957","9.129","0.004","11.674","0.004","11.962","0.004","68.03","0.03","86.95","0.03","87.76","0.03","1180.3","0.7","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C30 H24 N P -","- C30 N P -","- C60 N2 P2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.099","0.057","","0.135","0.128","0.128","","","1.398","0.958","0.958","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021958","11.445","0.003","14.105","0.004","14.798","0.008","90","","113.59","0.08","90","","2189.3","1.5","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N P -","- C27 N P -","- C108 N4 P4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.119","0.043","","0.091","0.072","0.072","","","1.853","0.941","0.941","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021959","9.55","0.002","10.913","0.006","11.511","0.005","108.01","0.04","92.35","0.03","96.46","0.03","1130.1","0.8","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C27 H21 F N P -","- C27 F3 N P -","- C54 F6 N2 P2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.059","0.053","","0.159","0.158","0.158","","","0.794","0.636","0.636","0.636","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021960","18.401","0.006","35.757","0.011","7.264","0.003","90","","90","","90","","4779","3","298","","","","","","","","","","Local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C29 H26 N O2 P -","- C29 N O2 P -","- C232 N8 O16 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.166","0.047","","0.132","0.099","0.099","","","2.514","1.61","1.61","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021961","32.489","0.013","8.345","0.005","21.857","0.008","90","","132.24","0.03","90","","4387","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N O P -","- C27 H24 N O P -","- C216 H192 N8 O8 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.0663","0.0585","","","0.1612","0.1701","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021962","39.149","0.008","9.736","0.002","9.566","0.002","90","","96.414","0.005","90","","3623.3","1.3","293.1","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C39 H40 Cl N2 O2 P Pd -","- C39 H40 Cl N2 O2 P Pd -","- C156 H160 Cl4 N8 O8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.05","","","","0.055","","","","","","4.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021963","10.47","0.0013","15.561","0.002","22.835","0.003","90","","90","","90","","3720.3","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl N2 P Pd -","- C40 H38 Cl N2 P Pd -","- C160 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.056","","","","0.074","","","","","","5.223","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021964","9.24","0.001","14.715","0.002","27.222","0.004","90","","90","","90","","3701.4","0.8","293.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Cl F3 N2 P Pd -","- C37 H35 Cl F3 N2 P Pd -","- C148 H140 Cl4 F12 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.065","","","","0.086","","","","","","6.493","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021965","8.652","0.003","10.517","0.003","18.683","0.006","92.46","0.004","97.873","0.0004","106.201","0.004","1611.3","0.8","100.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl8 N P Pd -","- C29 H26 Cl8 N P Pd -","- C58 H52 Cl16 N2 P2 Pd2 -","2","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.0612","","","","0.0844","","","","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021966","38.3957","0.0012","9.6498","0.0003","9.6342","0.0003","90","","101.35","","90","","3499.74","0.19","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H38 Cl N2 P Pd -","- C37 H38 Cl N2 P Pd -","- C148 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.71073","MoKα","","0.0611","0.0601","","","0.1932","0.1951","","","","","","1.705","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021967","8.6283","0.0004","10.2323","0.0005","11.4766","0.0006","84.168","0.003","68.788","0.002","72.628","0.002","901.48","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","2","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","1.54178","CuKα","","0.06","0.0578","","","0.1536","0.1553","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021968","9.953","0.0015","6.9505","0.0011","11.7107","0.0018","90","","98.204","0.003","90","","801.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Albert Padwa; Qiu Wang","Synthesis of the Tetracyclic Framework of the Erythrina Alkaloids Using a [4 + 2]-Cycloaddition/Rh(I)-Catalyzed Cascade of 2-Imidofurans","Journal of Organic Chemistry","2006","71","","7391","7402","10.1021/jo061269p","","","0.71073","MoKα","","0.1525","0.0882","","","0.1548","0.1772","","","","","","1.004","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021969","12.609","0.002","14.633","0.002","8.6593","0.0014","90","","104.353","0.003","90","","1547.9","0.4","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Naphthalen-1-yl-3-nitro-cyclopropane-1,1-dicarboxylic acid dimethyl ester","","","- C17 H15 N O6 -","- C17 H15 N O6 -","- C68 H60 N4 O24 -","4","1","","Séamus H. McCooey; Thomas McCabe; Stephen J. Connon","Stereoselective Synthesis of Highly Functionalized Nitrocyclopropanes via Organocatalyic Conjugate Addition to Nitroalkenes","Journal of Organic Chemistry","2006","71","","7494","7497","10.1021/jo0613838","","","0.71073","MoKα","","0.0489","0.0424","","","0.1147","0.1203","","","","","","1.063","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021970","6.8464","0.0014","8.435","0.0017","26.544","0.005","90","","92.16","0.03","90","","1531.8","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ferrocene-Me2Uracil","5-(Ferrocenylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione","","- C17 H19 Fe N3 O2 -","- C17 H19 Fe N3 O2 -","- C68 H76 Fe4 N12 O8 -","4","1","","Gilles Gasser; Matthew J. Belousoff; Alan M. Bond; Leone Spiccia","Facile Synthesis and Detailed Characterization of a New Ferrocenyl Uracil Peptide Nucleic Acid Monomer","Journal of Organic Chemistry","2006","71","","7565","7573","10.1021/jo060868t","","","0.71073","MoKα","","0.1047","0.0682","","","0.1843","0.2642","","","","","","1.256","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021971","7.2646","0.0008","11.5316","0.0012","19.383","0.002","90","","90","","90","","1623.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Fe N O -","- C18 H25 Fe N O -","- C72 H100 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0309","0.0297","","","0.0735","0.0743","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021972","9.7784","0.0006","9.7784","0.0006","22.852","0.003","90","","90","","90","","2185","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C112 H116 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0307","0.0291","","","0.0687","0.0696","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021973","8.5492","0.0011","17.527","0.002","28.923","0.004","90","","90","","90","","4333.9","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C224 H232 Fe8 N8 O8 -","8","2","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0304","0.0286","","","0.0671","0.068","","","","","","1.079","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021974","9.7996","0.0013","7.6731","0.001","17.769","0.002","90","","100.095","0.002","90","","1315.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 Fe N O -","- C32 H37 Fe N O -","- C64 H74 Fe2 N2 O2 -","2","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0418","0.04","","","0.0976","0.0987","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021975","12.7298","0.0002","12.7298","0.0002","33.4904","0.0008","90","","90","","120","","4699.96","0.15","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(1S,4S,5R,6S,7S)-N-tert-butyloxycarbonyl-2-azabicyclo[2.2.1]heptan-7-bromo-5,6- (dimethylmethylene)dioxy-3-one","","- C14 H20 Br N O5 -","- C14 H20 Br N O5 -","- C168 H240 Br12 N12 O60 -","12","4","","James T. Slama; Nimish Mehta; Ewa Skrzypczak-Jankun","Carbocyclic Ribosylamines: Synthesis of 5-Substituted Carbocyclic β-Ribofuranosylamines","Journal of Organic Chemistry","2006","71","","7877","7880","10.1021/jo060920l","","","0.71073","MoKα","","0.0356","0.0257","","","0.0476","0.0494","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021976","7.9231","0.0002","10.6847","0.0003","10.9859","0.0003","90","","100.571","0.001","90","","914.24","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0296","0.0288","","","0.0742","0.0751","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021977","6.3436","0.0001","7.2244","0.0001","18.0527","0.0002","90","","97.691","0.001","90","","819.889","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C38 H36 O6 S2 -","2","1","","José L. García Ruano; M. Ángeles Fernández-Ibáñez; M. Carmen Maestro","Efficient trans-Selectivity in the Cyclocondensation of (S)-2-[2-(p-Tolylsulfinyl)phenyl]acetaldehyde with Activated Dienes Catalyzed by Yb(OTf)~3~","Journal of Organic Chemistry","2006","71","","7683","7689","10.1021/jo061128n","","","1.54178","CuKα","","0.0386","0.0381","","","0.1016","0.1021","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021978","12.1305","0.0004","9.08","0.0003","13.9003","0.0004","90","","90.887","0.002","90","","1530.86","0.08","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H35 N O5 -","- C36 H35 N O5 -","- C72 H70 N2 O10 -","2","1","","Gregory S. Coumbarides; Majid Motevalli; Warda A. Muse; Peter B. Wyatt","Stereoselective Synthesis of (E)-Mannosylidene Derivatives Using the Wittig Reaction","Journal of Organic Chemistry","2006","71","","7888","7891","10.1021/jo061178s","","","0.71073","MoKα","","0.0561","0.0449","","","0.1043","0.1098","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021979","11.768","0.003","23.204","0.005","12.531","0.003","90","","92.748","0.004","90","","3417.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl3 F3 N2 O6 S -","- C31 H30 Cl3 F3 N2 O6 S -","- C124 H120 Cl12 F12 N8 O24 S4 -","4","1","","Stefan Spange; Mirko Bauer; Bernhard Walfort; Heinrich Lang","Barbituric Acid as a Substituent at Aryl Methylium Ions","Journal of Organic Chemistry","2006","71","","7850","7853","10.1021/jo061196+","","","0.71073","MoKα","","0.1545","0.0514","","","0.1207","0.1393","","","","","","0.75","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021980","9.745","0.004","10.385","0.004","17.013","0.007","85.174","0.007","88.923","0.008","80.529","0.007","1692.3","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H39 N5 O5 -","- C38 H39 N5 O5 -","- C76 H78 N10 O10 -","2","1","","Stefan Spange; Mirko Bauer; Bernhard Walfort; Heinrich Lang","Barbituric Acid as a Substituent at Aryl Methylium Ions","Journal of Organic Chemistry","2006","71","","7850","7853","10.1021/jo061196+","","","0.71073","MoKα","","0.0877","0.049","","","0.1231","0.1426","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021981","7.2504","0.0015","23.958","0.005","9.568","0.0019","90","","96.49","0.03","90","","1651.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C56 H88 N4 O20 P4 -","4","1","","Yang-Ping Liu; Lan-Fen Wang; Zhou Nie; Yi-Qiong Ji; Yang Liu; Ke-Jian Liu; Qiu Tian","Effect of the Phosphoryl Substituent in the Linear Nitrone on the Spin Trapping of Superoxide Radical and the Stability of the Superoxide Adduct: Combined Experimental and Theoretical Studies","Journal of Organic Chemistry","2006","71","","7753","7762","10.1021/jo061204m","","","0.71073","MoKα","","0.0807","0.0567","","","0.1676","0.1832","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021982","19.732","0.002","19.732","0.002","19.732","0.002","90","","90","","90","","7683.2","1.6","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 Br3 O3 -","- C39 H45 Br3 O3 -","- C312 H360 Br24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.0999","0.0457","","","0.1096","0.1192","","","","","","0.827","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021983","36.383","0.004","36.383","0.004","36.383","0.004","90","","90","","90","","48160","8","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- C93 H105 B3 -","- C93 H105 B3 -","- C1488 H1680 B48 -","16","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.218","0.0693","","","0.1625","0.2256","","","","","","0.879","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021984","32.199","0.007","32.199","0.007","12.957","0.004","90","","90","","120","","11634","5","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- C75 H69 N3 -","- C75 H69 N3 -","- C600 H552 N24 -","8","1.33333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71073","MoKα","","0.2048","0.1069","","","0.2709","0.3586","","","","","","1.03","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021985","19.844","0.005","19.844","0.005","19.844","0.005","90","","90","","90","","7814","3","298","2","298","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C39 H45 I3 O3 -","- C39 H45 I3 O3 -","- C312 H360 I24 O24 -","8","0.333333","","Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu","Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence","Journal of Organic Chemistry","2006","71","","7858","7861","10.1021/jo061210i","","","0.71069","MoKα","","0.0809","0.0519","","","0.1338","0.1528","","","","","","1.016","","","","has coordinates,has disorder","277942","2022-09-17","18:22:32",""
"4021986","20.0396","0.0009","20.0396","0.0009","6.5949","0.0004","90","","90","","90","","2648.4","0.2","298","","298","","","","","","","","","4","P 42/n :2","-P 4bc","86","","(Z)-2-benzo[1,4]dioxin-2-ylidene-N,N-diethylacetamide","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci","A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines","Journal of Organic Chemistry","2006","71","","7895","7898","10.1021/jo061229l","","","0.71073","MoKα","","0.0795","0.0551","","","0.1668","0.1989","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021987","6.7277","0.0004","13.3202","0.001","14.9976","0.0011","89.706","0.004","86.144","0.004","86.008","0.004","1337.7","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(4H-benzo[1,4]oxazin-3-ylidene)-N,N-diethylacetamide","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C56 H68 N8 O8 -","2","1","","Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci","A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines","Journal of Organic Chemistry","2006","71","","7895","7898","10.1021/jo061229l","","","0.71073","MoKα","","0.0726","0.0484","","","0.1367","0.1643","","","","","","1.056","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021988","16.481","0.002","27.466","0.004","14.888","0.002","90","","103.509","0.006","90","","6552.8","1.7","100","","100","","","","","","","","acetonitrile","5","P 1 21/c 1","-P 2ybc","14","","5-(2,6-di(phenylazo)-phenyl)-10,15,20-tri(2,4,6- trimethoxyphenyl)-porphyrin-acetonitrile-zinc(ii) acetonitrile solute","","- C71.5 H63.75 N11.25 O9 Zn -","- C71.51 H62.01 N11.26 O9 Zn -","- C286.04 H248.04 N45.04 O36 Zn4 -","4","1","","Maike V. Peters; Richard Goddard; Stefan Hecht","Synthesis and Characterization of Azobenzene-Confined Porphyrins","Journal of Organic Chemistry","2006","71","","7846","7849","10.1021/jo0612877","","","1.54178","CuKα","","0.1676","0.0953","","","0.2339","0.2852","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021989","16.309","0.006","27.606","0.01","15.201","0.005","90","","103.276","0.01","90","","6661","4","100","","100","","","","","","","","acetonitrile/cyclohexane","5","P 1 21/c 1","-P 2ybc","14","","5-(2,6-di(phenylazo)-phenyl)-10,15,20-tri(2,4,6- trimethoxyphenyl)-porphyrin-acetonitrile-zinc(ii) acetonitrile cyclohexane solute","","- C71.25 H64.5 N10 O9 Zn -","- C71.25 H59.25 N10 O9 Zn -","- C285 H237 N40 O36 Zn4 -","4","1","","Maike V. Peters; Richard Goddard; Stefan Hecht","Synthesis and Characterization of Azobenzene-Confined Porphyrins","Journal of Organic Chemistry","2006","71","","7846","7849","10.1021/jo0612877","","","1.54178","CuKα","","0.1793","0.1004","","","0.254","0.3119","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021990","17.081","0.004","6.1806","0.0017","18.749","0.005","90","","104.029","0.006","90","","1920.3","0.9","100","","100","","","","","","","","pentane also hexane/diethylether","3","P 1 21/n 1","-P 2yn","14","","4-tert-butyl-3,5-bis(phenyldiazenyl)toluene","","- C23 H24 N4 -","- C23 H24 N4 -","- C92 H96 N16 -","4","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","0.8","synchrotron","","0.0704","0.0558","","","0.1271","0.1351","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021991","6.173","0.003","15.424","0.008","19.545","0.011","90","","91.888","0.013","90","","1859.9","1.8","100","","100","","","","","","","","hexane/diethylether","3","P 1 21/n 1","-P 2yn","14","","2-phenyl-4-phenyldiazenyl-6-tert-butyl-indazole","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","0.8","synchrotron","","0.1015","0.0799","","","0.1954","0.2115","","","","","","1.027","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021992","23.155","0.002","11.9939","0.0013","7.0969","0.0007","90","","90","","90","","1970.9","0.3","100","","100","","","","","","","","acetonitrile","4","P b c n","-P 2n 2ab","60","","2-N-phenyl-indazol-3-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","","Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht","On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives","Journal of Organic Chemistry","2006","71","","7840","7845","10.1021/jo061288z","","","1.54178","CuKα","","0.1368","0.0638","","","0.1326","0.1689","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021993","8.9899","0.0009","10.4965","0.001","11.5357","0.0011","67.726","0.005","72.898","0.005","88.678","0.005","957.95","0.16","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 F -","- C24 H29 F -","- C48 H58 F2 -","2","1","","Yi Wang; Jianjun Xu; Donald J. Burton","A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes","Journal of Organic Chemistry","2006","71","","7780","7784","10.1021/jo061305k","","","0.71069","MoKα","","0.0746","0.046","","","0.1103","0.1263","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021994","24.7067","0.0009","7.5782","0.0001","28.9751","0.0005","90","","101.974","0.003","90","","5307","0.2","190","2","190","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H17 F -","- C18 H17 F -","- C288 H272 F16 -","16","2","","Yi Wang; Jianjun Xu; Donald J. Burton","A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes","Journal of Organic Chemistry","2006","71","","7780","7784","10.1021/jo061305k","","","0.71073","MoKα","","0.0815","0.0466","","","0.1118","0.1291","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021995","10.517","0.001","12.589","0.001","13.854","0.001","72.45","0.01","70.51","0.01","70.07","0.01","1588.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-5-((E)-3-(1,4-bis(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol- 3-yl)allylidene)-1,3-bis(4-methoxyphenyl)imidazolidine-2,4-dione","","- C36 H31 N5 O7 -","- C36 H31 N5 O7 -","- C72 H62 N10 O14 -","2","1","","Roberta Palkó; Zsuzsanna Riedl; Orsolya Egyed; László Fábián; György Hajós","New Facile Tandem Route to Oxo- and Thioxo[1,2,4]triazolo[1,5-a]pyridinium Salts","Journal of Organic Chemistry","2006","71","","7805","7812","10.1021/jo061361l","","","1.54184","CUkα","","0.0763","0.0575","","","0.1658","0.1802","","","","","","1.105","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021996","8.568","0.003","36.381","0.007","9.457","0.006","90","","98.27","0.02","90","","2917","2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 F3 N5 O8 -","- C30 H28 F2.939 N5 O8 -","- C120 H112 F11.756 N20 O32 -","4","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.0609","0.0573","","","0.1814","0.1926","","","","","","1.124","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021997","10.6083","0.0004","21.8311","0.0005","24.3418","0.0011","86.317","0.004","89.074","0.004","83.529","0.003","5589.6","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H115 F9 N20 O23 -","- C110.99 H114.97 F9 N20 O23 -","- C221.98 H229.94 F18 N40 O46 -","2","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.162","0.1427","","","0.4684","0.5164","","","","","","1.063","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021998","17.0458","0.0003","21.4658","0.0003","21.6536","0.0005","89.712","0.002","78.77","0.002","80.944","0.002","7671.8","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H166 F12 N24 O36 -","- C152 H132 F12 N24 O36 -","- C304 H264 F24 N48 O72 -","2","1","","Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc","Amphipathic Helices from Aromatic Amino Acid Oligomers","Journal of Organic Chemistry","2006","71","","7931","7939","10.1021/jo0603577","","","1.54178","CuKα","","0.1223","0.1136","","","0.4073","0.4387","","","","","","1.066","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021999","38.89","0.01","20.452","0.005","8.701","0.003","89","","89","","90","","6919","3","300.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C336 H400 O32 -","8","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.045","","","","0.038","","","","","","1.885","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4022000","20.07","0.009","20.84","0.01","10.101","0.006","91.39","0.05","100.87","0.04","104.53","0.04","4004","3","300.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C92 H118 O8 -","- C92 H116 O8 -","- C184 H232 O16 -","2","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.111","","","","0.081","","","","","","4.693","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022001","12.517","0.003","10.304","0.002","19.366","0.003","90","","104.76","0.04","90","","2415.3","1","298.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 O4 Si2 -","- C24 H32 O4 Si2 -","- C96 H128 O16 Si8 -","4","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","0.7107","MoKα","","","0.0436","","","","0.0676","","","","","","1.402","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022002","8.5096","0.0005","9.116","0.0003","22.3675","0.0012","90","","90","","90","","1735.13","0.15","293","2","293","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Do Han Kim; Kwang Kim; Young Keun Chung","A Facile Synthesis of the Basic Steroidal Skeleton Using a Pauson-Khand Reaction as a Key Step","Journal of Organic Chemistry","2006","71","","8264","8267","10.1021/jo061052v","","","0.71073","MoKα","","0.0757","0.0491","","","0.1036","0.1156","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022003","7.9228","0.0001","10.6696","0.0002","11.9294","0.0002","100.696","0.0006","108.599","0.0006","94.2119","0.0007","929.58","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 I O3 S -","- C7 H7 I O3 S -","- C28 H28 I4 O12 S4 -","4","2","","Darko Dolenc; Božo Plesničar","Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals: Steric and Electronic Effects","Journal of Organic Chemistry","2006","71","","8028","8036","10.1021/jo061125a","","","0.71073","MoKα","","0.027","0.0253","","","0.0701","0.071","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022004","11.4023","0.0002","12.5114","0.0002","17.0335","0.0003","90","","101.099","0.0007","90","","2384.52","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F6 I O -","- C10 H7 F6 I O -","- C80 H56 F48 I8 O8 -","8","2","","Darko Dolenc; Božo Plesničar","Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals: Steric and Electronic Effects","Journal of Organic Chemistry","2006","71","","8028","8036","10.1021/jo061125a","","","0.71073","MoKα","","0.0298","0.0251","","","0.0644","0.0741","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022005","9.0732","0.001","10.0821","0.0011","10.659","0.0012","87.53","0.002","85.689","0.002","70.442","0.002","916.03","0.18","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 N2 O4 -","- C52 H36 N2 O4 -","- C52 H36 N2 O4 -","1","0.5","","Hyuma Masu; Ikuko Mizutani; Takako Kato; Isao Azumaya; Kentaro Yamaguchi; Keiki Kishikawa; Shigeo Kohmoto","Naphthalene- and Anthracene-Based Aromatic Foldamers with Iminodicarbonyl Linkers: Their Stabilities and Application to a Chiral Photochromic System Using Retro [4 + 4] Cycloaddition","Journal of Organic Chemistry","2006","71","","8037","8044","10.1021/jo0611317","","","0.71073","MoKα","","0.0738","0.0454","","","0.1105","0.1221","","","","","","1.061","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022006","9.0414","0.0007","9.4957","0.0007","13.2099","0.001","103.916","0.001","97.833","0.001","110.019","0.001","1004.17","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 N2 O4 -","- C54 H40 N2 O4 -","- C54 H40 N2 O4 -","1","0.5","","Hyuma Masu; Ikuko Mizutani; Takako Kato; Isao Azumaya; Kentaro Yamaguchi; Keiki Kishikawa; Shigeo Kohmoto","Naphthalene- and Anthracene-Based Aromatic Foldamers with Iminodicarbonyl Linkers: Their Stabilities and Application to a Chiral Photochromic System Using Retro [4 + 4] Cycloaddition","Journal of Organic Chemistry","2006","71","","8037","8044","10.1021/jo0611317","","","0.71073","MoKα","","0.0776","0.0585","","","0.1486","0.1621","","","","","","1.05","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022007","6.656","0.005","8.686","0.005","20.105","0.005","95.741","0.005","94.709","0.005","109.103","0.005","1084.7","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl N2 O2 S -","- C25 H21 Cl N2 O2 S -","- C50 H42 Cl2 N4 O4 S2 -","2","1","","Yan Li; Fushun Liang; Xihe Bi; Qun Liu","Intramolecular Thia-anti-Michael Addition of a Sulfur Anion to Enones: A Regiospecific Approach to Multisubstituted Thiophene Derivatives","Journal of Organic Chemistry","2006","71","","8006","8010","10.1021/jo0611420","","","0.71069","MoKα","","0.1224","0.079","","","0.2065","0.2483","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022008","12.396","0.005","6.627","0.005","27.073","0.005","90","0.005","94.564","0.005","90","0.005","2216.9","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O3 S -","- C26 H24 N2 O3 S -","- C104 H96 N8 O12 S4 -","4","1","","Yan Li; Fushun Liang; Xihe Bi; Qun Liu","Intramolecular Thia-anti-Michael Addition of a Sulfur Anion to Enones: A Regiospecific Approach to Multisubstituted Thiophene Derivatives","Journal of Organic Chemistry","2006","71","","8006","8010","10.1021/jo0611420","","","0.71069","MoKα","","0.1363","0.0804","","","0.1533","0.1788","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022009","10.849","0.005","16.398","0.003","9.71","0.006","90","","90","","90","","1727.5","1.3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.71069","MoKα","","","0.0506","","","","0.2045","","","","","","0.995","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022010","8.384","0.004","20.291","0.005","6.443","0.004","90.29","0.02","112.06","0.03","89.876","0.009","1015.8","0.8","295.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N5 O7 -","- C18 H22 N5 O7 -","- C36 H44 N10 O14 -","2","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.7107","MoKα","","","0.0428","","","","0.0614","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022011","5.7024","0.0002","18.5996","0.0006","19.8661","0.0009","90.011","0.002","89.994","0.002","85.451","0.002","2100.41","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","O,N-Dibenzoyl-5-hydroxylamino-3-heptafluoropropyl-1,2,4-triazin-6-one","","- C20 H11 F7 N4 O4 -","- C20 H11 F7 N4 O4 -","- C80 H44 F28 N16 O16 -","4","2","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.1582","0.0615","","","0.1124","0.1412","","","","","","0.997","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4022012","5.267","0.002","40.867","0.008","9.623","0.002","90","","102.16","0.01","90","","2024.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-N-methyl-5-hydroxylamino-3-pentadecafluoroheptyl-1,2,4-triazin-6-one","","- C13 H10 F15 N4 O3 -","- C13 H11 F15 N4 O3 -","- C52 H44 F60 N16 O12 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.3206","0.1088","","","0.2149","0.3066","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022013","10.2668","0.0003","6.1673","0.0002","30.2383","0.0007","90","","93.43","0.001","90","","1911.21","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Heptadecafluorooctyl-1-methyl-5-phenyl-1H-[1,2,4]triazole","","- C16 H8 F15 N3 -","- C16 H8 F15 N3 -","- C64 H32 F60 N12 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Ivana Pibiri; Nicoló Vivona; Gianluca Giorgi; Andrea Mazzanti; Domenico Spinelli","Five-to-Six Membered Ring-Rearrangements in the Reaction of 5-Perfluoroalkyl-1,2,4-oxadiazoles with Hydrazine and Methylhydrazine","Journal of Organic Chemistry","2006","71","","8106","8113","10.1021/jo061251e","","","0.71073","MoKα","","0.0579","0.0393","","","0.0859","0.0946","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022014","19.642","0.007","10.2","0.004","8.221","0.003","90","","95.4","0.02","90","","1639.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F3 N O8 S -","- C13 H10 F3 N O8 S -","- C52 H40 F12 N4 O32 S4 -","4","1","","Hermut Wehlan; Eva Jezek; Nathalie Lebrasseur; Grégoire Pavé; Emmanuel Roulland; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Synthesis of the CDEF Ring System","Journal of Organic Chemistry","2006","71","","8151","8158","10.1021/jo0613378","","","1.54178","CuKα","","0.143","0.0817","","","0.2078","0.2496","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022015","14.21","0.004","8.578","0.003","13.297","0.004","90","","103.33","0.006","90","","1577.3","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1036","0.0464","","","0.104","0.1328","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022016","16.447","0.003","13.067","0.002","13.693","0.002","90","","101.532","0.003","90","","2883.5","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O -","- C20 H16 O -","- C160 H128 O8 -","8","2","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1187","0.0438","","","0.0889","0.1145","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022017","9.1968","0.0018","9.722","0.002","11.602","0.002","66.783","0.003","82.017","0.004","75.466","0.003","921.9","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 O S -","- C25 H18 O S -","- C50 H36 O2 S2 -","2","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.0653","0.0427","","","0.1088","0.125","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022018","18.454","0.004","22.937","0.005","7.2039","0.0015","90","","90","","90","","3049.3","1.2","294","2","294","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C21 H16 O -","- C21 H16 O -","- C168 H128 O8 -","8","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.1134","0.0446","","","0.0859","0.1088","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022019","33.97","0.005","9.2207","0.0015","23.354","0.004","90","","110.094","0.003","90","","6870","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18.25 Fe O -","- C23 H18.25 Fe O -","- C368 H292 Fe16 O16 -","16","4","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.2201","0.0769","","","0.1731","0.2285","","","","","","1.042","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022020","8.6562","0.0015","8.6562","0.0015","22.961","0.006","90","","90","","90","","1720.5","0.6","294","2","294","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","0.5","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.0726","0.0452","","","0.1058","0.1191","","","","","","1.156","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022021","19.51","0.003","18.79","0.003","11.821","0.002","90","","126.895","0.002","90","","3465.7","1","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","1","","Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang","A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran","Journal of Organic Chemistry","2006","71","","8291","8293","10.1021/jo061415r","","","0.71073","MoKα","","0.09","0.0488","","","0.117","0.1364","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022022","12.8189","0.0009","7.7506","0.0005","15.7635","0.0011","90","","94.281","0.001","90","","1561.8","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 F4 O4 -","- C14 H20 F4 O4 -","- C56 H80 F16 O16 -","4","1","","Gerry A. Griffith; Ian H. Hillier; Jonathan M. Percy; Ricard Roig; Mark A. Vincent","Quantifying the Reactivity of a Remarkably Long-Lived Difluorinated Enol in Acidic Methanol via Solution Kinetics and Electronic Structure Calculations","Journal of Organic Chemistry","2006","71","","8250","8255","10.1021/jo061450y","","","0.71073","MoKα","","0.0387","0.0362","","","0.0936","0.0954","","","","","","1.035","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022023","7.1422","0.0003","11.0909","0.0004","21.2039","0.0007","90","","90","","90","","1679.63","0.11","220","2","220","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","Methyl aceric acid dimer","Dimethyl (2S,3R,3aS,4aS,6S,7R,7aS,8aS)-3,7-dihydroxy-2,6-dimethyl- hexahydro-1,4,5,8-tetraoxa-s-indacene-3,7-dicarboxylate","","- C14 H22 O11 -","- C14 H22 O11 -","- C56 H88 O44 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0372","0.0323","","","0.0816","0.0849","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022024","5.4985","0.0007","13.2676","0.0011","20.6881","0.0013","90","","90","","90","","1509.2","0.2","220","2","220","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Methyl 4-epi-aceric acid diethyl dithio acetal","5-deoxy-3-C-methoxycarbonyl-D-arabinose diethyl dithio acetal","","- C11 H22 O5 S2 -","- C11 H22 O5 S2 -","- C44 H88 O20 S8 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0863","0.0576","","","0.1211","0.1362","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022025","8.2354","0.0002","15.8639","0.0004","28.4689","0.0008","90","","90","","90","","3719.34","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 N2 O6 -","- C40 H48 N2 O6 -","- C160 H192 N8 O24 -","4","1","","Paul R. Blakemore; Colin Kilner; Selena D. Milicevic","Resolution, Enantiomerization Kinetics, and Chiroptical Properties of 7,7'-Dihydroxy-8,8'-biquinolyl","Journal of Organic Chemistry","2006","71","","8212","8218","10.1021/jo061608e","","x-ray","0.71073","MoKα","","0.0848","0.0527","","","0.1101","0.1266","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022026","17.987","0.004","11.679","0.002","13.663","0.003","90","","111.21","0.03","90","","2675.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-phenyl-4-(trimethylphosphoranylidene)-2,4- dihydro-3H-pyrazol-3-one","","- C13 H17 N2 O P -","- C13 H17 N2 O P -","- C104 H136 N16 O8 P8 -","8","2","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.54178","CuKα","","0.086","0.0557","","","0.134","0.1479","","","","","","1.017","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022027","12.028","0.004","12.923","0.005","16.482","0.004","90","","90","","90","","2561.8","1.4","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-4-(trichlorophoshoranylidene)- 2,4-dihydro-3H-pyrazol-3-one","","- C10 H8 Cl3 N2 O P -","- C10 H8 Cl3 N2 O P -","- C80 H64 Cl24 N16 O8 P8 -","8","1","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.5418","CuKα","","0.1734","0.0612","","0.1308","0.0625","0.0625","","","","","","1.1512","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022028","10.127","0.008","12.462","0.009","25.76","0.02","84.4","0.04","84.69","0.03","78.62","0.03","3163","4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H54 Cl6 O12 -","- C75 H54 Cl6 O12 -","- C150 H108 Cl12 O24 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, -(C~6~H~4~O)~n~- (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.069","","","","0.104","","","","","","0.997","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022029","14.61","0.02","10.187","0.015","26.99","0.04","90","","101.36","0.03","90","","3938","11","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cl6 O7 -","- C44 H30 Cl6 O7 -","- C176 H120 Cl24 O28 -","4","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.0566","","","","0.0507","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022030","9.596","0.007","14.145","0.01","17.077","0.013","83.87","0.04","81.86","0.03","87.12","0.03","2280","3","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl6 O8 -","- C50 H34 Cl6 O8 -","- C100 H68 Cl12 O16 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.0816","","","","0.1334","","","","","","0.954","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022031","10.566","0.009","14.099","0.011","19.125","0.014","77.94","0.04","74.87","0.03","76.71","0.03","2643","4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H51 Cl3 O9 -","- C55 H37 Cl3 O9 -","- C110 H74 Cl6 O18 -","2","1","","Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada","Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)","Journal of Organic Chemistry","2006","71","","8614","8617","10.1021/jo0609982","","","0.7107","MoKα","","","0.11","","","","0.159","","","","","","0.784","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022032","17.51","0.01","5.662","0.001","9.238","0.003","90","","90.25","0.02","90","","915.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C40 H32 F8 O8 -","4","1","","Wadih Ghattas; Corinna R. Hess; Gilles Iacazio; Renaud Hardré; Judith P. Klinman; Marius Réglier","Pathway for the Stereocontrolled Z and E Production of α,α-Difluorine-Substituted Phenyl Butenoates","Journal of Organic Chemistry","2006","71","","8618","8621","10.1021/jo061022s","","","0.71073","MoKα","","0.0625","0.0545","","","0.118","0.1226","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022033","18.045","0.001","5.4411","0.0002","9.4675","0.0006","90","","93.781","0.001","90","","927.47","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C40 H32 F8 O8 -","4","1","","Wadih Ghattas; Corinna R. Hess; Gilles Iacazio; Renaud Hardré; Judith P. Klinman; Marius Réglier","Pathway for the Stereocontrolled Z and E Production of α,α-Difluorine-Substituted Phenyl Butenoates","Journal of Organic Chemistry","2006","71","","8618","8621","10.1021/jo061022s","","","0.71073","MoKα","","0.0551","0.0442","","","0.1039","0.1111","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022034","8.2333","0.0006","25.9013","0.0019","9.8295","0.0007","90","","95.776","0.001","90","","2085.5","0.3","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0574","0.0418","","","0.0643","0.0657","","","","","","1.845","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022035","12.3799","0.0011","7.2521","0.0007","17.2138","0.0015","90","","101.892","0.002","90","","1512.3","0.2","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0606","0.0425","","","0.0689","0.071","","","","","","1.948","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022036","10.3188","0.0007","10.5705","0.0008","27.269","0.002","90","","92.941","0.001","90","","2970.5","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 O6 Si -","- C34 H38 O6 Si -","- C136 H152 O24 Si4 -","4","1","","Uttam K. Tambar; Taichi Kano; John F. Zepernick; Brian M. Stoltz","Convergent and Diastereoselective Synthesis of the Polycyclic Pyran Core of Saudin","Journal of Organic Chemistry","2006","71","","8357","8364","10.1021/jo061236+","","","0.71073","MoKα","","0.0835","0.0491","","","0.0689","0.0712","","","","","","1.686","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022037","11.6082","0.0006","11.9869","0.0005","16.3251","0.0008","94.876","0.003","100.979","0.002","91.852","0.003","2219.2","0.18","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H42 O4 -","- C60 H42 O4 -","- C120 H84 O8 -","2","1","","Chung-Chieh Lee; Man-kit Leung; Gene-Hsiang Lee; Yi-Hung Liu; Shie-Ming Peng","Revisit of the Dessy-White Intramolecular Acetylene-Acetylene [2 + 2] Cycloadditions","Journal of Organic Chemistry","2006","71","","8417","8423","10.1021/jo061334v","","","0.71073","MoKα","","0.1549","0.0666","","","0.1408","0.183","","","","","","1.021","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022038","6.4818","0.0013","9.578","0.0019","8.9682","0.0018","90","","91.9","0.03","90","","556.47","0.19","243","2","243","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C24 H30 Cl2 O6 -","2","1","","Jollie D. Godfrey, Jr.; Rita T. Fox; Frederic G. Buono; Jack Z. Gougoutas; Mary F. Malley","Novel 1,4-Homofragmentation via an α-Lactone","Journal of Organic Chemistry","2006","71","","8647","8650","10.1021/jo0613380","","x-ray","1.54178","CuKα","","0.1001","0.0904","","","0.2235","0.243","","","","","","1.456","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022039","16.2933","0.0019","12.0291","0.0014","27.005","0.003","90","","99.948","0.002","90","","5213.3","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N O3 Si -","- C28 H29 N O3 Si -","- C224 H232 N8 O24 Si8 -","8","2","","Christopher J. T. Hyland; Louis S. Hegedus","Gold-Catalyzed and N-Iodosuccinimide-Mediated Cyclization of -Substituted Allenamides","Journal of Organic Chemistry","2006","71","","8658","8660","10.1021/jo061340r","","","0.71073","MoKα","","0.1145","0.0502","","","0.1204","0.1588","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022040","14.939","0.01","11.769","0.008","8.078","0.005","90","","104.291","0.007","90","","1376.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jrc1551n","","","- C14 H7 Cl3 N2 O -","- C14 H7 Cl3 N2 O -","- C56 H28 Cl12 N8 O4 -","4","1","","Raymond J. Cvetovich; Robert A. Reamer; Lisa DiMichele; John Y. L. Chung; Jennifer R. Chilenski","Unique Tandem Heck-Lactamization Naphthyridinone Ring Formation between Acrylanilides and Halogenated Pyridines","Journal of Organic Chemistry","2006","71","","8610","8613","10.1021/jo0613479","","","0.71073","MoKα","","0.0931","0.0517","","","0.1182","0.1345","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022041","7.9218","0.001","15.295","0.002","10.2586","0.001","90","","99.385","0.006","90","","1226.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Paquette 1483","","","- C13 H13 Br2 N O -","- C13 H13 Br2 N O -","- C52 H52 Br8 N4 O4 -","4","1","","Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian","Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage","Journal of Organic Chemistry","2006","71","","8438","8445","10.1021/jo061404y","","x-ray","0.71073","MoKα","","0.0377","0.0254","","","0.0545","0.0578","","","","","","1.031","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022042","11.46","0.002","11.07","0.002","17.536","0.003","90","","100.395","0.01","90","","2188.1","0.7","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","2","","Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian","Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage","Journal of Organic Chemistry","2006","71","","8438","8445","10.1021/jo061404y","","x-ray","0.71073","MoKα","","0.0503","0.0416","","","0.0982","0.1023","","","","","","1.026","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022043","12.701","0.003","14.224","0.003","15.263","0.003","90","","91.56","0.03","90","","2756.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 B Cl2 N O8 -","- C29 H20 B Cl2 N O8 -","- C116 H80 B4 Cl8 N4 O32 -","4","1","","K. M. K. Swamy; Yoon Ju Lee; Han Na Lee; Jihyun Chun; Youngmee Kim; Sung-Jin Kim; Juyoung Yoon","A New Fluorescein Derivative Bearing a Boronic Acid Group as a Fluorescent Chemosensor for Fluoride Ion","Journal of Organic Chemistry","2006","71","","8626","8628","10.1021/jo061429x","","","0.71073","MoKα","","0.2762","0.1112","","","0.2902","0.3784","","","","","","0.965","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022044","19.017","0.003","7.7976","0.0011","8.8937","0.0012","90","","90","","90","","1318.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Azasugar","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C48 H84 N4 O20 -","4","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0412","0.0385","","","0.0836","0.0845","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022045","5.3217","0.0007","9.7758","0.0013","16.549","0.002","90","","92.897","0.002","90","","859.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Azasugar","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Ganesh Pandey; Shrinivas G. Dumbre; M. Islam Khan; M. Shabab","Convergent Approach toward the Synthesis of the Stereoisomers of C-6 Homologues of 1-Deoxynojirimycin and Their Analogues: Evaluation as Specific Glycosidase Inhibitors","Journal of Organic Chemistry","2006","71","","8481","8488","10.1021/jo061455v","","","0.71073","MoKα","","0.0746","0.0724","","","0.2217","0.2235","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022046","8.335","0.003","11.268","0.004","11.396","0.004","71.118","0.007","82.086","0.007","85.152","0.007","1002.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl N O2 P -","- C23 H21 Cl N O2 P -","- C46 H42 Cl2 N2 O4 P2 -","2","1","","Wei Tang; Yi-Xiang Ding","Synthesis of Phosphaisoquinolin-1-ones by Pd(II)-Catalyzed Cyclization of o-(1-Alkynyl)phenylphosphonamide Monoesters","Journal of Organic Chemistry","2006","71","","8489","8492","10.1021/jo0614644","","","0.71073","MoKα","","0.0916","0.0573","","","0.1214","0.1375","","","","","","0.924","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022047","6.2665","0.0015","13.0901","0.0015","12.7349","0.0017","90","","102.746","0.014","90","","1018.9","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I O3 -","- C9 H11 I O3 -","- C36 H44 I4 O12 -","4","1","","Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents","Journal of Organic Chemistry","2006","71","","8452","8458","10.1021/jo0614947","","","0.71073","MoKα","","0.0415","0.0384","","0.1051","0.1031","0.1031","","","","","","0.8219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022048","14.117","0.005","12.342","0.003","6.582","0.005","90","","98.8","0.04","90","","1133.3","1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 I O3 -","- C10 H13 I O3 -","- C40 H52 I4 O12 -","4","1","","Alexey Y. Koposov; Rashad R. Karimov; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","2-Iodylphenol Ethers: Preparation, X-ray Crystal Structure, and Reactivity of New Hypervalent Iodine(V) Oxidizing Reagents","Journal of Organic Chemistry","2006","71","","8452","8458","10.1021/jo0614947","","","0.71073","MoKα","","0.064","0.0445","","0.1264","0.1078","0.1078","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022049","6.0038","0.0002","8.1286","0.0002","23.0641","0.0007","90","","90.5392","0.0014","90","","1125.5","","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","6-[(4-Methylphenyl)sulfonyl]-3-oxa-6-azabicyclo[3.1.0]hexane","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","","David M. Hodgson; Bogdan Štefane; Timothy J. Miles; Jason Witherington","Organolithium-Induced Alkylative Ring Opening of Aziridines: Synthesis of Unsaturated Amino Alcohols and Ethers","Journal of Organic Chemistry","2006","71","","8510","8515","10.1021/jo0615201","","","0.71073","MoKα","","","0.0408","","","","0.0485","","","","","","1.0548","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022050","11.8092","0.0004","10.8815","0.0004","11.5938","0.0005","90","","113.039","0.0014","90","","1371","0.09","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-N-(4-methyllene-1,6-dioxaspiro[4.4]non-3-yl)-4-propane-2-sulfonamide","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","1","","David M. Hodgson; Bogdan Štefane; Timothy J. Miles; Jason Witherington","Organolithium-Induced Alkylative Ring Opening of Aziridines: Synthesis of Unsaturated Amino Alcohols and Ethers","Journal of Organic Chemistry","2006","71","","8510","8515","10.1021/jo0615201","","","0.71073","MoKα","","","0.0609","","","","0.0721","","","","","","0.9971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022051","8.161","0.003","10.241","0.004","34.89","0.012","90","","90","","90","","2916","1.9","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N3 O5 -","- C30 H39 N3 O5 -","- C120 H156 N12 O20 -","4","1","","Takashi Emura; Toru Esaki; Kazutaka Tachibana; Makoto Shimizu","Efficient Asymmetric Synthesis of Novel Gastrin Receptor Antagonist AG-041R via Highly Stereoselective Alkylation of Oxindole Enolates","Journal of Organic Chemistry","2006","71","","8559","8564","10.1021/jo061541v","","","0.7","","","0.0409","0.0407","","","0.1058","0.1062","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022052","9.2444","0.0009","12.5227","0.0012","15.7503","0.0015","90","","90.117","0.012","90","","1823.3","0.3","293","2","293","2","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- C26 H32 O -","- C26 H32 O -","- C104 H128 O4 -","4","0.5","","Andrey A. Fokin; Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson","Reactivity of [1(2,3)4]Pentamantane (T~d~-Pentamantane): A Nanoscale Model of Diamond","Journal of Organic Chemistry","2006","71","","8532","8540","10.1021/jo061561x","","","0.71073","MoKα","","0.0712","0.0413","","","0.1163","0.1357","","","","","","0.855","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022053","17.134","0.002","23.476","0.002","8.699","0.001","90","","102.01","0.01","90","","3422.5","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(5-Hydroxy-5-methylhexa-1,3-diynyl)-9H-fluoren-9-one","","- C20.5 H14 Cl1.5 D0.5 O2 -","- C20.5 H14 Cl1.5 D0.5 O2 -","- C164 H112 Cl12 D4 O16 -","8","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0666","0.0414","","","0.0985","0.1128","","","","","","1.027","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022054","13.4126","0.0016","12.6904","0.0014","13.4632","0.0015","90","","113.86","0.01","90","","2095.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-6-(pyridine-2-yl)hexa-3,5-diyn-2-ol","","- C12 H11 N O -","- C12 H11 N O -","- C96 H88 N8 O8 -","8","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0512","0.0397","","","0.1064","0.118","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022055","3.7873","0.0003","21.832","0.002","13.6754","0.0012","90","","96.58","0.01","90","","1123.3","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Buta-1,3-diynyl)-9H-fluoren-9-one","","- C17 H8 O -","- C17 H8 O -","- C68 H32 O4 -","4","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0594","0.0361","","","0.0775","0.0829","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022056","7.3361","0.0007","16.6477","0.0014","18.7004","0.0015","90","","90","","90","","2283.9","0.3","120","2","120","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","4-(Buta-1,3-diynyl)-1,1'-biphenyl","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0778","0.0532","","","0.0921","0.099","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022057","3.82","0.0004","14.3322","0.0015","12.4728","0.0014","90","","95.235","0.015","90","","680.02","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(buta-1,3-diynyl)-pyridine","","- C9 H5 N -","- C9 H5 N -","- C36 H20 N4 -","4","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0542","0.0367","","","0.0884","0.0957","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022058","3.8203","0.0004","8.8878","0.0009","10.3102","0.0011","104.261","0.004","92.738","0.004","92.274","0.004","338.42","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","4-(buta-1,3-diynyl)-pyridine","","- C9 H5 N -","- C9 H5 N -","- C18 H10 N2 -","2","1","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.069","0.042","","","0.0802","0.0882","","","","","","0.858","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022059","3.8182","0.0007","17.949","0.003","9.4768","0.0016","90","","94.48","0.01","90","","647.5","0.2","120","2","120","2","","","","","","","","3","P 1 n 1","P -2yac","7","","2-(Buta-1,3-diynyl)pyrazine","","- C8 H4 N2 -","- C8 H4 N2 -","- C32 H16 N8 -","4","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0625","0.0553","","","0.1505","0.1566","","","","","","1.054","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022060","19.223","0.002","12.311","0.0015","22.588","0.003","90","","90","","90","","5345.6","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 F2 N3 O -","- C29 H27 Cl2 F2 N3 O -","- C232 H216 Cl16 F16 N24 O8 -","8","1","","John Y. L. Chung; Raymond J. Cvetovich; Mark McLaughlin; Joseph Amato; Fuh-Rong Tsay; Mark Jensen; Steve Weissman; Daniel Zewge","Synthesis of a Naphthyridone p38 MAP Kinase Inhibitor","Journal of Organic Chemistry","2006","71","","8602","8609","10.1021/jo061618f","","","0.71073","MoKα","","0.0785","0.0489","","","0.112","0.1256","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022061","10.1891","0.001","12.4256","0.0011","17.2441","0.0017","90","","90","","90","","2183.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05140a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0422","0.0316","","","0.0679","0.0737","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022062","10.6366","0.0009","13.009","0.0011","15.8176","0.0013","90","","90","","90","","2188.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05183a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0451","0.0327","","","0.0738","0.0829","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022063","8.2606","0.0008","10.2738","0.001","16.721","0.0016","90","","97.719","0.002","90","","1406.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","06095","","","- C32 H32 Cl2 N2 O2 -","- C32 H32 Cl2 N2 O2 -","- C64 H64 Cl4 N4 O4 -","2","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.066","0.0484","","","0.1179","0.1326","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022064","9.7828","0.0009","9.8015","0.0009","15.3502","0.0014","78.978","0.002","82.309","0.002","68.047","0.002","1336.8","0.2","467","2","467","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C62 H68 O10 -","2","1","","Jenny Y. Yang; Julien Bachmann; Daniel G. Nocera","Hangman Salen Platforms Containing Two Xanthene Scaffolds","Journal of Organic Chemistry","2006","71","","8706","8714","10.1021/jo0613075","","","0.71073","MoKα","","0.1084","0.072","","","0.1568","0.1738","","","","","","1.021","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022065","9.157","0.007","11.143","0.01","12.5","0.011","77.035","0.014","83.053","0.017","79.421","0.018","1217.6","1.8","467","2","467","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 B O5 -","- C25 H33 B O5 -","- C50 H66 B2 O10 -","2","1","","Jenny Y. Yang; Julien Bachmann; Daniel G. Nocera","Hangman Salen Platforms Containing Two Xanthene Scaffolds","Journal of Organic Chemistry","2006","71","","8706","8714","10.1021/jo0613075","","","0.71073","MoKα","","0.1935","0.097","","","0.171","0.2057","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022066","17.111","0.009","8.01","0.005","11.588","0.006","90","","105.1","0.02","90","","1533.4","1.4","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 Cl2 Rh2 -","- C38 H32 Cl2 Rh2 -","- C76 H64 Cl4 Rh4 -","2","0.5","","Guillaume Berthon-Gelloz; Tamio Hayashi","Expanding the C2-Symmetric Bicyclo[2.2.1]hepta-2,5-diene Ligand Family: Concise Synthesis and Catalytic Activity in Rhodium-Catalyzed Asymmetric Addition","Journal of Organic Chemistry","2006","71","","8957","8960","10.1021/jo061385s","","","0.71075","MoKα","","","0.0217","","","","0.0322","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022067","11.175","0.0009","13.0823","0.001","16.1471","0.0012","78.82","0.003","71.278","0.003","85.826","0.003","2193.1","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","(9-BBN)25","","- C46 H68 B2 N4 O3 Si -","- C46 H68 B2 N4 O3 Si -","- C92 H136 B4 N8 O6 Si2 -","2","1","","Jayeeta Bhaumik; Zhen Yao; K. Eszter Borbas; Masahiko Taniguchi; Jonathan S. Lindsey","Masked Imidazolyl-Dipyrromethanes in the Synthesis of Imidazole-Substituted Porphyrins","Journal of Organic Chemistry","2006","71","","8807","8817","10.1021/jo061461r","","","0.71073","MolybdenumKα","","0.102","0.082","","0.096","","0.091","","","","","","2.01","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4022068","14.736","0.001","5.811","0.001","15.376","0.002","90","","113.68","0.01","90","","1205.8","0.3","568","2","568","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-6-(p-Toluenesulfinyl)-3H-pyrrolizine","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","","Marian Mikołajczyk; Jerzy A. Krysiak; Wanda H. Midura; Michał W. Wieczorek; Ewa Róz̀ycka-Sokołowska","General Route to Racemic and Enantiomeric Carbo- and Heterocyclic Vinyl Sulfoxides via Tandem Michael Addition/Horner Olefination of α-Phosphorylvinyl Sulfoxides","Journal of Organic Chemistry","2006","71","","8818","8823","10.1021/jo061463b","","","1.5418","CuKα","","0.0506","0.0476","","","0.1279","0.1327","","","","","","1.06","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022069","21.6669","0.0015","9.9002","0.0007","29.684","0.002","90","","110.114","0.001","90","","5979","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N2 O6 -","- C35 H32 N2 O6 -","- C280 H256 N16 O48 -","8","2","","Miguel A. Sierra; Daniel Pellico; Mar Gómez-Gallego; María José Mancheño; Rosario Torres","Synthesis of Highly Functionalized Macrocycles by the Peripheral Functionalization of Macrocyclic Diimines","Journal of Organic Chemistry","2006","71","","8787","8793","10.1021/jo0614689","","","0.71073","MoKα","","0.1407","0.0439","","","0.1063","0.1402","","","","","","0.892","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022070","20.785","0.0016","11.9521","0.0009","16.836","0.0012","90","","108.458","0.002","90","","3967.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Co2 N2 O12 -","- C42 H30 Co2 N2 O12 -","- C168 H120 Co8 N8 O48 -","4","1","","Miguel A. Sierra; Daniel Pellico; Mar Gómez-Gallego; María José Mancheño; Rosario Torres","Synthesis of Highly Functionalized Macrocycles by the Peripheral Functionalization of Macrocyclic Diimines","Journal of Organic Chemistry","2006","71","","8787","8793","10.1021/jo0614689","","","0.71073","MoKα","","0.1505","0.0462","","","0.0892","0.1172","","","","","","0.831","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022071","7.549","0.002","21.693","0.005","10.004","0.002","90","","95.96","0.01","90","","1629.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0664","0.0493","","","0.1166","0.1272","","","","","","1.025","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022072","7.5969","0.0003","19.9937","0.0008","22.45","0.007","90","","90","","90","","3409.9","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.095","0.036","","","0.0623","0.072","","","","","","0.842","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022073","8.4972","0.0007","13.9255","0.0014","14.9265","0.0015","90","","98.785","0.004","90","","1745.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0939","0.0461","","","0.0673","0.0731","","","","","","0.97","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022074","19.541","0.003","8.2533","0.0009","20.397","0.003","90","","90","","90","","3289.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C152 H104 Cl16 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.058","0.055","","","0.1366","0.1392","","","","","","1.178","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022075","14.244","0.004","14.943","0.004","7.233","0.003","90","","90.25","0.03","90","","1539.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C76 H52 Cl8 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0988","0.0763","","","0.1653","0.177","","","","","","1.267","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022076","14.375","0.002","13.899","0.005","7.2983","0.0012","90","","90.609","0.013","90","","1458.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F2 N O -","- C19 H13 F2 N O -","- C76 H52 F8 N4 O4 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0597","0.0292","","","0.0569","0.0613","","","","","","0.861","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022077","7.952","0.004","22.9243","0.0013","8.4014","0.0005","90","","90.348","0.014","90","","1531.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0573","0.0395","","","0.1038","0.1081","","","","","","1.087","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022078","10.8284","0.0004","7.1857","0.0003","18.2382","0.0008","90","","92.07","0.004","90","","1418.18","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl2 O2 -","- C14 H18 Cl2 O2 -","- C56 H72 Cl8 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0605","0.0364","","","0.0859","0.089","","","","","","0.863","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022079","14.5012","0.0004","16.6918","0.0004","12.0839","0.0003","90","","106.741","0.003","90","","2800.95","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 O2 -","- C14 H18 Cl2 O2 -","- C112 H144 Cl16 O16 -","8","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.0628","0.0385","","","0.0885","0.0919","","","","","","0.883","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022080","11.539","0.002","5.6179","0.0011","11.803","0.002","90","","111.051","0.004","90","","714.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C32 H46 N2 O2 -","2","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.1059","0.0517","","","0.059","0.0655","","","","","","0.893","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022081","9.258","0.001","28.609","0.002","10.689","0.001","90","","106.06","0.01","90","","2720.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","2","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","1.54178","CuKα","","0.0582","0.0445","","","0.1107","0.1204","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022082","11.637","0.002","8.227","0.001","17.298","0.004","90","","96.72","0.01","90","","1644.7","0.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","","0.71073","MoKα","","0.0995","0.0497","","","0.0984","0.112","","","","","","0.971","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022083","6.777","0.003","16.509","0.007","24.731","0.01","90","","90","","90","","2767","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C116 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0435","0.0289","","","0.0566","0.0595","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022084","6.0619","0.0009","15.504","0.002","29.274","0.004","90","","90","","90","","2751.4","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O2 Se -","- C30 H41 N O2 Se -","- C120 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0493","0.0361","","","0.0844","0.0911","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022085","7.525","0.002","8.893","0.003","11.94","0.003","98.191","0.005","103.853","0.005","114.504","0.004","678.9","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","","Vijay Nair; Manojkumar Poonoth; Sreekumar Vellalath; Eringathodi Suresh; Rajasekaran Thirumalai","An N-Heterocyclic Carbene-Catalyzed [8 + 3] Annulation of Tropone and Enals via Homoenolate","Journal of Organic Chemistry","2006","71","","8964","8965","10.1021/jo0615706","","","0.71073","MoKα","","0.0635","0.0519","","","0.1347","0.1507","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022086","12.0009","0.0018","7.0164","0.001","12.796","0.002","90","","114.245","0.012","90","","982.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F2 N2 O6 -","- C20 H18 F2 N2 O6 -","- C40 H36 F4 N4 O12 -","2","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0406","0.0337","","","0.0834","0.0872","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022087","7.2562","0.0011","11.261","0.002","20.674","0.003","90","","90","","90","","1689.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F2 N6 O3 -","- C16 H16 F2 N6 O3 -","- C64 H64 F8 N24 O12 -","4","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0726","0.048","","","0.1008","0.1118","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022088","5.3533","0.0005","17.484","0.002","12.0785","0.0012","90","","100.109","0.008","90","","1113","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 F2 N3 O3 -","- C10 H11 F2 N3 O3 -","- C40 H44 F8 N12 O12 -","4","2","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0615","0.053","","","0.1319","0.1376","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022089","9.2282","0.0016","10.0766","0.0018","13.599","0.002","98.625","0.003","94.892","0.003","115.068","0.003","1116.8","0.3","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Br Cl2 N2 O6 -","- C23 H21 Br Cl2 N2 O6 -","- C46 H42 Br2 Cl4 N4 O12 -","2","1","","Jae Hong Seo; Gerald D. Artman, III; Steven M. Weinreb","Synthetic Studies on Perophoramidine and the Communesins: Construction of the Vicinal Quaternary Stereocenters","Journal of Organic Chemistry","2006","71","","8891","8900","10.1021/jo061660a","","","0.71073","MoKα","","0.0305","0.0291","","","0.0819","0.0828","","","","","","1.054","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022090","8.6926","0.0015","10.0514","0.0017","14.349","0.002","81.199","0.003","73.995","0.003","71.852","0.003","1142.1","0.3","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O5 -","- C24 H26 Cl2 N2 O5 -","- C48 H52 Cl4 N4 O10 -","2","1","","Jae Hong Seo; Gerald D. Artman, III; Steven M. Weinreb","Synthetic Studies on Perophoramidine and the Communesins: Construction of the Vicinal Quaternary Stereocenters","Journal of Organic Chemistry","2006","71","","8891","8900","10.1021/jo061660a","","","0.71073","MoKα","","0.0526","0.0439","","","0.1173","0.1274","","","","","","1.056","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022091","21.4654","0.0004","17.0244","0.0003","21.6341","0.0005","90","","90","","90","","7905.9","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H44 F6 N6 O6 S2 Zn -","- C36 H44 F6 N6 O6 S2 Zn -","- C288 H352 F48 N48 O48 S16 Zn8 -","8","1","","Woosung Kim; Soon Mog So; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereoselective Recognition of Vicinal Diamines with a Zn(II) Complex","Journal of Organic Chemistry","2006","71","","8966","8968","10.1021/jo0616815","","","0.71073","MoKα","","0.1071","0.0472","","","0.1041","0.1254","","","","","","1.014","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022092","6.9396","0.0004","6.9396","0.0004","50.665","0.005","90","","90","","90","","2439.9","0.3","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H30 Br2 N2 O3 -","- C26 H30 Br2 N2 O3 -","- C104 H120 Br8 N8 O12 -","4","0.5","","Sivaraman Dandapani; Ping Lan; Aaron B. Beeler; Scott Beischel; Athier Abbas; Bryan L. Roth; John A. Porco, Jr.; James S. Panek","Convergent Synthesis of Complex Diketopiperazines Derived from Pipecolic Acid Scaffolds and Parallel Screening against GPCR Targets","Journal of Organic Chemistry","2006","71","","8934","8945","10.1021/jo061758p","","","0.71073","MoKα","","0.0736","0.0674","","","0.1577","0.1607","","","","","","1.176","","","","has coordinates","178398","2020-10-21","18:00:00",""
"4022093","18.168","0.004","27.585","0.007","9.004","0.003","90","0","90","0","90","0","4512.6","0.000002","150","","","","","","","","","","Local laboratory","5","P n c a","-P 2a 2n","60","","","","- C22 H32 Cr O4 Si -","- C22 H27 Cr O4 Si -","- C176 H216 Cr8 O32 Si8 -","8","1","","Hajime Mori; Takafumi Matsuo; Yasunori Yoshioka; Shigeo Katsumura","Highly Activated Vinyl Hydrogen in a Significantly Twisted Styrene","Journal of Organic Chemistry","2006","71","","9004","9012","10.1021/jo061092z","","","1.5418","CuKa","","","0.062","","","0.067","","","","","6.063","6.063","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022094","8.2634","0.0017","13.768","0.003","23.321","0.005","90","","94.97","0.03","90","","2643.3","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N7 O12 Zn -","- C19 H21 Cl2 N7 O12 Zn -","- C76 H84 Cl8 N28 O48 Zn4 -","4","1","","Mimoun Chadlaoui; Belén Abarca; Rafael Ballesteros; Carmen Ramírez de Arellano; Juan Aguilar; Ricardo Aucejo; Enrique García-España","Properties of a Triazolopyridine System as a Molecular Chemosensor for Metal Ions, Anions, and Amino Acids","Journal of Organic Chemistry","2006","71","","9030","9034","10.1021/jo061326e","","","0.71073","MoKα","","0.102","0.0463","","","0.0951","0.1122","","","","","","1.01","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022095","10.87","0.002","11.836","0.002","13.685","0.002","104.059","0.006","112.55","0.006","92.755","0.006","1557.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C31 H35 N3 O9 -","- C31 H35 N3 O9 -","- C62 H70 N6 O18 -","2","2","","Christopher J. Gabriel; Matthew P. DeMatteo; Noel M. Paul; Tomohisa Takaya; Terry L. Gustafson; Christopher M. Hadad; Jon R. Parquette","A New Class of Intramolecularly Hydrogen-Bonded Dendrons Based on a 2-Methoxyisophthalamide Repeat Unit","Journal of Organic Chemistry","2006","71","","9035","9044","10.1021/jo061351k","","x-ray","0.71073","MoKα","","0.0739","0.0544","","","0.1426","0.1549","","","","","","1.052","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022096","11.3922","0.0009","7.8682","0.0005","48.276","0.007","90","","95.37","0.01","90","","4308.3","0.8","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O2 S16 -","- C34 H34 O2 S16 -","- C136 H136 O8 S64 -","4","1","","Giovanna Delogu; Davide Fabbri; Maria Antonietta Dettori; Marc Sallé; Franck Le Derf; María-Jesús Blesa; Magali Allain","Electroactive C~2~ Symmetry Receptors Based on the Biphenyl Scaffold and Tetrathiafulvalene Units","Journal of Organic Chemistry","2006","71","","9096","9103","10.1021/jo061446m","","x-ray","0.71073","MoKα","","","0.0913","","","","0.2572","","","","","","0.783","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022097","10.2841","0.0016","14.47","0.002","17.65","0.003","103.072","0.003","92.721","0.003","90.565","0.003","2554.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 N6 O12 S2 -","- C49.999 H54 N6 O12 S1.999 -","- C99.998 H108 N12 O24 S3.998 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.1561","0.0627","","","0.1351","0.1672","","","","","","0.881","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022098","10.6692","0.0017","16.623","0.003","17.567","0.003","79.277","0.003","73.795","0.003","75.746","0.003","2876.6","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 N6 O15 S2 -","- C52 H57 N6 O15 S2 -","- C104 H114 N12 O30 S4 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.1754","0.0928","","","0.2611","0.3113","","","","","","0.999","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022099","8.9698","0.0011","12.5206","0.0015","13.9081","0.0017","111.335","0.002","91.23","0.002","105.587","0.002","1389","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N3 O7 S -","- C25.996 H29 N3 O7 S0.999 -","- C51.992 H58 N6 O14 S1.998 -","2","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.119","0.0568","","","0.1352","0.1611","","","","","","1.015","","","","has coordinates,has disorder","178398","2020-10-21","18:00:00",""
"4022100","18.185","0.004","13.451","0.003","11.78","0.002","90","","90","","90","","2881.6","1","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H26 N4 O6 S2 -","- C27.98 H26 N4 O6 S2 -","- C111.92 H104 N16 O24 S8 -","4","1","","Štefan Marchalín; Barbora Baumlová; Peter Baran; Hassan Oulyadi; Adam Daïch","Tandem Michael Addition/Amino-Nitrile Cyclization from 2-Formyl-1,4-DHP in the Synthesis of Novel Dihydroindolizine-Based Compounds","Journal of Organic Chemistry","2006","71","","9114","9127","10.1021/jo0615044","","","0.71073","MoKα","","0.2683","0.0546","","","0.1052","0.1767","","","","","","0.833","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022101","10.494","0.004","6.123","0.002","10.705","0.004","90","","93.923","0.004","90","","686.3","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Weibin Chen; Cynthia S. Day; S. Bruce King","Grignard Reagent-Mediated Conversion of an Acyl Nitroso-anthracene Cycloadduct to a Nitrone","Journal of Organic Chemistry","2006","71","","9221","9224","10.1021/jo0615192","","","0.71073","MoKα","","0.0724","0.0575","","","0.1097","0.116","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022102","8.506","0.008","11.707","0.011","14.351","0.013","93.279","0.019","96.129","0.019","92.54","0.02","1417","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 N2 O2 -","- C38 H34 N2 O2 -","- C76 H68 N4 O4 -","2","1","","Weibin Chen; Cynthia S. Day; S. Bruce King","Grignard Reagent-Mediated Conversion of an Acyl Nitroso-anthracene Cycloadduct to a Nitrone","Journal of Organic Chemistry","2006","71","","9221","9224","10.1021/jo0615192","","","0.71073","MoKα","","0.1931","0.0726","","","0.0928","0.121","","","","","","0.759","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022103","26.85","0.003","6.2772","0.0008","20.267","0.003","90","","118.876","0.002","90","","2991.1","0.6","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 O3 P -","- C15 H19 O3 P -","- C120 H152 O24 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0543","0.0504","","","0.1436","0.146","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022104","12.9844","0.0015","6.202","0.0007","20.193","0.002","90","","107.142","0.002","90","","1553.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C64 H84 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1119","0.0946","","","0.188","0.1952","","","","","","1.339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022105","15.891","0.0017","10.2219","0.0011","12.2745","0.0013","90","","94.318","0.002","90","","1988.2","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O3 P -","- C21 H23 O3 P -","- C84 H92 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0755","0.0554","","","0.1198","0.1335","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022106","11.123","0.003","14.73","0.004","27.784","0.007","90","","90","","90","","4552.2","1.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N2 O7 P -","- C22 H23 N2 O7 P -","- C176 H184 N16 O56 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1202","0.0866","","","0.1879","0.2064","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022107","7.5521","0.0005","17.6566","0.001","10.9664","0.0007","90","","104.745","0.001","90","","1414.15","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 O3 P -","- C14 H19 O3 P -","- C56 H76 O12 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0531","0.0478","","","0.1188","0.1228","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022108","14.5201","0.0018","9.4279","0.0012","11.1618","0.0014","90","","111.105","0.002","90","","1425.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 O4 P -","- C14 H17 O4 P -","- C56 H68 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0979","0.056","","","0.1367","0.1524","","","","","","0.937","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022109","11.811","0.003","6.0445","0.0014","20.369","0.005","90","","90","","90","","1454.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.043","0.0398","","","0.0919","0.0936","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022110","8.253","0.003","9.57","0.003","18.751","0.006","90","","90","","90","","1481.1","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0497","0.0424","","","0.0904","0.0933","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022111","11.5766","0.0014","14.5541","0.0018","10.524","0.0013","90","","113.582","0.002","90","","1625.1","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O4 P -","- C16 H21 O4 P -","- C64 H84 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0546","0.0446","","","0.1116","0.118","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022112","10.915","0.012","11.603","0.003","12.983","0.002","67.054","0.017","68.05","0.04","64.62","0.04","1325.1","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 O2 -","- C34 H32 O2 -","- C68 H64 O4 -","2","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1229","0.0522","","","0.0983","0.122","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022113","36.09","0.004","5.9889","0.0006","13.4654","0.0015","90","","93.935","0.002","90","","2903.6","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 O5 P -","- C15 H17 O5 P -","- C120 H136 O40 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0833","0.0545","","","0.1132","0.1237","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022114","25.252","0.002","6.2471","0.0005","10.3606","0.0009","90","","90","","90","","1634.4","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H21 O5 P -","- C17 H21 O5 P -","- C68 H84 O20 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0786","0.0529","","","0.0751","0.081","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022115","8.4723","0.0018","16.42","0.004","17.215","0.004","90","","90","","90","","2394.8","0.9","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.2278","0.0695","","","0.0953","0.1311","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022116","15.994","0.005","5.1441","0.0016","14.52","0.005","90","","102.455","0.005","90","","1166.5","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1214","0.066","","","0.19","0.2185","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022117","7.5109","0.0006","14.3359","0.0012","16.367","0.0014","90","","96.377","0.002","90","","1751.4","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0411","0.0344","","","0.094","0.1015","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022118","5.7638","0.0008","13.105","0.0018","13.6732","0.0019","111.439","0.002","97.422","0.002","91.257","0.002","950.6","0.2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0872","0.0712","","","0.1945","0.2102","","","","","","1.044","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022119","9.877","0.002","9.473","0.002","15.877","0.004","90","","90.741","0.004","90","","1485.5","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","2","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0503","0.0452","","","0.1164","0.1198","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022120","10.5061","0.001","10.8749","0.0011","13.0039","0.0013","107.192","0.002","102.821","0.002","100.207","0.002","1336.1","0.2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O7 S -","- C27 H29 N3 O7 S -","- C54 H58 N6 O14 S2 -","2","1","","Joshua Gergely; Jeremy B. Morgan; Larry E. Overman","Stereocontrolled Synthesis of Functionalized cis-Cyclopentapyrazolidines by 1,3-Dipolar Cycloaddition Reactions of Azomethine Imines","Journal of Organic Chemistry","2006","71","","9144","9152","10.1021/jo061537j","","","0.71073","MoKα","","0.0555","0.0387","","","0.0895","0.0992","","","","","","1.006","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022121","34.775","0.001","34.775","0.001","31.201","0.001","90","","90","","120","","32676.3","1.7","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C156 H174 Br6 N12 O24 -","- C156 H129 Br6 N12 O24 -","- C936 H774 Br36 N72 O144 -","6","1","","Ho Yong Lee; Dohyun Moon; Myoung Soo Lah; Jong-In Hong","Triangular Assembly Through Charged Hydrogen Bonds in Polar Solvent","Journal of Organic Chemistry","2006","71","","9225","9228","10.1021/jo061543f","","","0.82657","synchrotron","","0.1174","0.0778","","","0.2136","0.2354","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022122","8.8729","0.0011","19.734","0.002","21.236","0.003","90","","92.613","0.002","90","","3714.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O2 -","- C20 H20 Br N O2 -","- C160 H160 Br8 N8 O16 -","8","2","","Fides Benfatti; Giuliana Cardillo; Luca Gentilucci; Rossana Perciaccante; Alessandra Tolomelli; Alberico Catapano","Synthesis and Biological Evaluation of Azido- and Aziridino-hydroxyl-β-lactams through Stereo- and Regioselective Epoxide Ring Opening","Journal of Organic Chemistry","2006","71","","9229","9232","10.1021/jo0615652","","","0.71073","MoKα","","0.0906","0.0474","","","0.126","0.1657","","","","","","0.769","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022123","7.8188","0.0008","19.673","0.002","33.422","0.004","90","","90","","90","","5141","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br N4 O3 -","- C27 H27 Br N4 O3 -","- C216 H216 Br8 N32 O24 -","8","2","","Saumen Hajra; Manishabrata Bhowmick; Debarshi Sinha","Highly Regio- and Stereoselective Asymmetric Bromoazidation of Chiral α,β-Unsaturated Carboxylic Acid Derivatives: Scope and Limitations","Journal of Organic Chemistry","2006","71","","9237","9240","10.1021/jo061593k","","","0.71073","MoKα","","0.1378","0.0479","","","0.1076","0.1322","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022124","9.3549","0.001","15.5649","0.0017","11.744","0.0013","90","","112.69","0.002","90","","1577.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Wang-Ge Shou; Yun-Yun Yang; Yan-Guang Wang","Cascade Approach to Substituted 6-Aryl-phenanthridines from Aromatic Aldehydes, Anilines, and Benzenediazonium-2-carboxylate","Journal of Organic Chemistry","2006","71","","9241","9243","10.1021/jo061648i","","","0.71073","MoKα","","0.064","0.0431","","","0.1024","0.1091","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022125","12.4196","0.0003","11.3876","0.0003","16.0345","0.0004","90","","96.559","0.001","90","","2252.91","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 I N5 O4 -","- C21 H24 I N5 O4 -","- C84 H96 I4 N20 O16 -","4","1","","Mikkel F. Jacobsen; Martin M. Knudsen; Kurt V. Gothelf","Efficient N-Arylation and N-Alkenylation of the Five DNA/RNA Nucleobases","Journal of Organic Chemistry","2006","71","","9183","9190","10.1021/jo061694i","","x-ray","0.71073","MoKα","","0.034","0.0257","","","0.0603","0.0631","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022126","8.8227","0.0009","11.4224","0.0008","12.8723","0.0013","105.919","0.003","94.997","0.003","107.106","0.004","1172.26","0.19","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H25 Cl F N5 O4 -","- C22 H25 Cl F N5 O4 -","- C44 H50 Cl2 F2 N10 O8 -","2","1","","Mikkel F. Jacobsen; Martin M. Knudsen; Kurt V. Gothelf","Efficient N-Arylation and N-Alkenylation of the Five DNA/RNA Nucleobases","Journal of Organic Chemistry","2006","71","","9183","9190","10.1021/jo061694i","","x-ray","0.71073","MoKα","","0.0968","0.0425","","","0.0577","0.0665","","","","","","0.757","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022127","16.219","0.004","5.434","0.002","16.399","0.005","90","","77.96","0.01","90","","1413.7","0.7","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Naoki Kise","Density Functional Theory Study of Electroreductive Hydrocoupling of α,β-Unsaturated Carbonyl Compounds","Journal of Organic Chemistry","2006","71","","9203","9207","10.1021/jo061708k","","","0.7107","MoKα","","","0.045","","","","0.091","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022128","9.8452","0.0011","24.338","0.003","12.7573","0.0014","90","","90.164","0.003","90","","3056.8","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 Br2 Mn N4 -","- C30 H40 Br2 Mn N4 -","- C120 H160 Br8 Mn4 N16 -","4","2","","Xavier Sala; Anna M. Rodríguez; Montserrat Rodríguez; Isabel Romero; Teodor Parella; Alexander von Zelewsky; Antoni Llobet; Jordi Benet-Buchholz","New Synthetic Routes toward Enantiopure Nitrogen Donor Ligands","Journal of Organic Chemistry","2006","71","","9283","9290","10.1021/jo0612372","","","0.71073","MoKα","","0.0548","0.0484","","","0.1197","0.1239","","","","","","1.044","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022129","28.4738","0.0017","49.755","0.003","9.3187","0.0006","90","","90","","90","","13202","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H38 N2 O4 S2 -","- C38 H39 N2 O4 S2 -","- C608 H624 N32 O64 S32 -","16","1","","Sang Ick Lee; Soo Min Kim; Mi Ra Choi; Sun Young Kim; Young Keun Chung; Won-Sik Han; Sang Ook Kang","Au(I)-Catalyzed Cyclization of Enynes Bearing an Olefinic Cycle","Journal of Organic Chemistry","2006","71","","9366","9372","10.1021/jo061254r","","","0.71073","MoKα","","0.0994","0.0503","","","0.1077","0.1304","","","","","","1.008","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022130","13.5935","0.0004","9.6906","0.0006","19.9797","0.0012","90","","97.708","0.003","90","","2608.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O4 S2 -","- C27 H30 N2 O4 S2 -","- C108 H120 N8 O16 S8 -","4","1","","Sang Ick Lee; Soo Min Kim; Mi Ra Choi; Sun Young Kim; Young Keun Chung; Won-Sik Han; Sang Ook Kang","Au(I)-Catalyzed Cyclization of Enynes Bearing an Olefinic Cycle","Journal of Organic Chemistry","2006","71","","9366","9372","10.1021/jo061254r","","","0.71073","MoKα","","0.1211","0.0658","","","0.1686","0.2152","","","","","","1.142","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022131","8.3084","0.0002","9.5793","0.0002","35.8757","0.001","90","","90","","90","","2855.3","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N2 O9 -","- C28 H38 N2 O9 -","- C112 H152 N8 O36 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0471","0.032","","","0.0653","0.0828","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022132","6.084","0.0011","12.859","0.004","14.354","0.004","72.851","0.01","89.224","0.01","77.7","0.01","1047","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C48 H60 N4 O4 -","2","2","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0841","0.0521","","","0.105","0.1178","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022133","10.1031","0.0007","11.3618","0.0007","40.919","0.004","90","","90","","90","","4697.1","0.6","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C20 H38 N2 O4 -","- C20 H38 N2 O4 -","- C160 H304 N16 O32 -","8","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.219","0.0751","","","0.1474","0.2073","","","","","","1","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022134","17.8512","0.001","31.8301","0.001","20.5872","0.001","90","","108.161","0.005","90","","11115","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H127 Cl11 N8 Ni4 O17 -","- C99 H111 Cl11 N8 Ni4 O17 -","- C396 H444 Cl44 N32 Ni16 O68 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1459","0.0768","","","0.2244","0.2625","","","","","","1.019","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022135","9.6765","0.0003","10.3148","0.0005","12.63","0.0005","74.201","0.001","83.154","0.001","75.354","0.001","1171.86","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C52 H68 N4 O8 -","2","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1067","0.0478","","","0.0831","0.0983","","","","","","0.944","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022136","7.9954","0.0003","10.9216","0.0003","14.4612","0.0009","90","","90","","90","","1262.79","0.1","295","2","295","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C11 H24 N2 O3 -","- C11 H24 N2 O3 -","- C44 H96 N8 O12 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0638","0.0399","","","0.0838","0.0927","","","","","","0.991","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022137","9.9162","0.0003","10.3086","0.0003","24.762","0.001","90","","90","","90","","2531.22","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0818","0.0451","","","0.0732","0.0817","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022138","6.0048","0.0003","14.5084","0.001","25.355","0.002","90","","90","","90","","2209","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O2 -","- C24 H28 Cl2 N2 O2 -","- C96 H112 Cl8 N8 O8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0905","0.0495","","","0.0877","0.0992","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022139","9.9193","0.0002","10.3077","0.0002","24.8012","0.0008","90","","90","","90","","2535.8","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0656","0.043","","","0.0807","0.0872","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022140","8.405","0.0002","29.088","0.001","10.4372","0.0004","90","","104.443","0.001","90","","2471.09","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.1357","0.0549","","","0.09","0.1081","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022141","9.8","0.001","28.333","0.001","12.161","0.001","90","","98.82","0.01","90","","3336.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N2 O4 -","- C40 H42 N2 O4 -","- C160 H168 N8 O16 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.2167","0.0722","","","0.1319","0.1786","","","","","","1.001","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022142","30.002","0.002","7.3588","0.0004","6.2049","0.0004","90","","90.467","0.002","90","","1369.88","0.14","298","","","","","","","","","","Lahti Group","4","C 1 c 1","C -2yc","9","","1-(4-methoxyphenylaminoxyl)-4-(1H-pyrrol-1-yl)-benzene","","- C17 H15 N2 O2 -","- C17 H15 N2 O2 -","- C68 H60 N8 O8 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0766","0.0608","","","0.1029","0.1089","","","","","","1.279","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022143","27.3232","0.0012","5.8054","0.0002","7.9936","0.0003","90","","90","","90","","1267.96","0.09","298","","","","","","","","","","zd3090","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N2 O -","- C14 H17 N2 O -","- C56 H68 N8 O4 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0613","0.0422","","","0.1022","0.114","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022144","8.134","0.006","9.116","0.008","12.165","0.011","95.2","0.08","106.5","0.05","113.31","0.08","772.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 K O8 -","- C30 H48 K O8 -","- C30 H48 K O8 -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.2108","0.0625","","","0.0752","0.1048","","","","","","0.698","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022145","10.888","0.008","17.464","0.008","20.84","0.01","90","","99.63","0.06","90","","3907","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Crypt K] Naph * THF","","","- C36 H60 K N2 O8 -","- C36 H60 K N2 O8 -","- C144 H240 K4 N8 O32 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0862","0.0611","","","0.1901","0.2049","","","","","","0.997","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022146","6.7195","0.0013","6.808","0.0013","12.299","0.002","82.22","0.003","81.35","0.004","68.61","0.003","515.92","0.17","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C14 H16 -","- C14 H16 -","- C28 H32 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0541","0.0491","","","0.1438","0.1509","","","","","","1.056","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4022147","12.463","0.002","12.8","0.002","13.228","0.003","61.431","0.003","73.013","0.003","87.878","0.003","1759.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H56 K O8 -","- C34 H56 K O8 -","- C68 H112 K2 O16 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1488","0.0585","","","0.1166","0.1412","","","","","","0.836","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022148","11.5437","0.0016","12.6746","0.0017","14.955","0.002","104.157","0.002","92.621","0.002","116.839","0.002","1862","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 K N2 O7 -","- C36 H60 K N2 O7 -","- C72 H120 K2 N4 O14 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0732","0.0494","","","0.1163","0.1251","","","","","","0.936","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022149","6.7725","0.0003","9.8657","0.0005","10.2475","0.0005","85.979","0.001","73.065","0.001","72.593","0.001","624.9","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Cl6 Sb -","- C24 H24 Cl6 Sb -","- C24 H24 Cl6 Sb -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0355","0.0308","","","0.0763","0.0782","","","","","","1.034","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022150","11.155","0.018","7.505","0.013","16.57","0.04","90","","90","","90","","1387","5","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C18 H24 -","- C18 H24 -","- C72 H96 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0802","0.0546","","","0.1415","0.153","","","","","","0.942","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022151","9.019","0.006","9.227","0.007","9.623","0.007","76.18","0.09","86.32","0.06","68.6","0.08","723.8","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","OMN-SbCl6, DCM solvate","Octamethylnaphtalenium hexachloroantimonate, dichloromethane solvate","","- C20 H28 Cl10 Sb -","- C20 H28 Cl10 Sb -","- C20 H28 Cl10 Sb -","1","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.0299","0.0282","","","0.0758","0.0769","","","","","","0.996","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022153","22.841","0.006","12.651","0.003","21.765","0.009","90","","109.32","0.03","90","","5935","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","18-Crown-6-bis(tetrahydrofurano)potassium 1,2,3,4,7,8,9,10-octahydro-1,1,4,4,7,7,10,10-octamethyltetracene tetrahydrofuran solvate","","- C58 H100 K O11 -","- C58 H100 K O11 -","- C232 H400 K4 O44 -","4","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1791","0.0707","","","0.1821","0.2176","","","","","","0.859","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022154","10.6938","0.0011","10.9607","0.0011","18.72","0.0018","90","","103.551","0.002","90","","2133.1","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Li2 -","- C50 H66 Li2 -","- C100 H132 Li4 -","2","0.5","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1562","0.0702","","","0.1558","0.194","","","","","","1.005","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022155","12.6202","0.0019","19.053","0.003","21.386","0.003","109.816","0.003","93.923","0.003","98.228","0.003","4750.3","1.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H147 Cs3 O6 -","- C99 H147 Cs3 O6 -","- C198 H294 Cs6 O12 -","2","1","","Sergiy V. Rosokha; Jay K. Kochi","The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons","Journal of Organic Chemistry","2006","71","","9357","9365","10.1021/jo061695a","","","0.71073","MoKα","","0.1678","0.0845","","","0.1965","0.2378","","","","","","1.042","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022156","12.903","0.0004","10.468","0.0003","11.7384","0.0004","90","","112.684","0.001","90","","1462.84","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","1","","Takashi Mino; Yoshiaki Shirae; Takeshi Saito; Masami Sakamoto; Tsutomu Fujita","Palladium-Catalyzed Sonogashira and Hiyama Reactions Using Phosphine-Free Hydrazone Ligands","Journal of Organic Chemistry","2006","71","","9499","9502","10.1021/jo061734i","","","0.71073","MoKα","","0.0755","0.0513","","","0.1476","0.1686","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022157","17.3448","0.0002","22.291","0.0003","25.7311","0.0002","90","","92.7173","0.0008","90","","9937.3","0.19","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.375 H68.75 Cl0.75 I2 P4 Pt2 -","- C42.375 H68.75 Cl0.75 I2 P4 Pt2 -","- C339 H550 Cl6 I16 P32 Pt16 -","8","2","","Hai-Bo Yang; Koushik Ghosh; Atta M. Arif; Peter J. Stang","The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M~3~L~2~ Trigonal-Bipyramidal Cages","Journal of Organic Chemistry","2006","71","","9464","9469","10.1021/jo061779j","","","0.71073","MoKα","","0.1191","0.0599","","","0.1348","0.1788","","","","","","1.034","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022158","42.007","0.0006","9.3291","0.0002","34.7621","0.0006","90","","109.387","0.0008","90","","12850.4","0.4","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H79 Cl3 I2 P4 Pt2 -","- C59.5 H79 Cl3 I2 P4 Pt2 -","- C476 H632 Cl24 I16 P32 Pt16 -","8","1","","Hai-Bo Yang; Koushik Ghosh; Atta M. Arif; Peter J. Stang","The Synthesis of New 60° Organometallic Subunits and Self-Assembly of Three-Dimensional M~3~L~2~ Trigonal-Bipyramidal Cages","Journal of Organic Chemistry","2006","71","","9464","9469","10.1021/jo061779j","","","0.71073","MoKα","","0.0872","0.0542","","","0.1286","0.1454","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022159","6.869","0.0001","25.5057","0.0004","14.813","0.0003","90","","95.628","0.001","90","","2582.71","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br2 N4 O5 S2 -","- C24 H24 Br2 N4 O5 S2 -","- C96 H96 Br8 N16 O20 S8 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.065","0.0521","","","0.1215","0.1268","","","","","","1.148","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022160","10.6216","0.0002","13.0861","0.0003","13.6532","0.0003","90","","102.542","0.001","90","","1852.45","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br2 N3 O3 S -","- C17 H15 Br2 N3 O3 S -","- C68 H60 Br8 N12 O12 S4 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.065","0.0431","","","0.0971","0.1077","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022161","16.0467","0.0002","10.571","0.0001","22.3993","0.0002","90","","90","","90","","3799.59","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0375","0.0304","","","0.0665","0.0697","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022162","7.1999","0.0014","12.537","0.003","15.479","0.003","83.58","0.03","76.79","0.03","74.13","0.03","1306.7","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Br2 N4 O8 S -","- C21 H24 Br2 N4 O8 S -","- C42 H48 Br4 N8 O16 S2 -","2","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0898","0.0479","","","0.1182","0.1401","","","","","","1.061","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022163","24.4242","0.0003","12.9575","0.0002","15.6062","0.0002","90","","103.343","0.0006","90","","4805.67","0.11","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H26 N4 O8 S -","- C22 H26 N4 O8 S -","- C176 H208 N32 O64 S8 -","8","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0759","0.0435","","","0.1138","0.1288","","","","","","1.046","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022164","11.1469","0.0003","14.2301","0.0004","15.9794","0.0004","82.0773","0.0017","82.9329","0.0014","74.558","0.0016","2409.94","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Br2 N5 O3 -","- C22 H20 Br2 N5 O3 -","- C88 H80 Br8 N20 O12 -","4","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0904","0.0561","","","0.1479","0.1672","","","","","","1.031","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022165","11.293","0.0002","13.8479","0.0003","14.1887","0.0003","90","","108.204","0.0011","90","","2107.83","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Br2 N5 O3 -","- C20 H19 Br2 N5 O3 -","- C80 H76 Br8 N20 O12 -","4","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0402","0.0304","","","0.0737","0.0785","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022166","12.0512","0.0005","12.0512","0.0005","27.0746","0.0011","90","","90","","90","","3932.1","0.3","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","1","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0589","0.0399","","","0.0724","0.0793","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022167","13.2373","0.0002","13.4037","0.0002","17.8325","0.0004","72.9238","0.0008","80.5396","0.0009","62.3585","0.0013","2677.84","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H26 Br2 N4 O8.5 S -","- C21.5 H26 Br2 N4 O8.5 S -","- C86 H104 Br8 N16 O34 S4 -","4","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0807","0.0468","","","0.0983","0.1117","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022168","11.9442","0.0017","14.568","0.002","19.621","0.003","81.692","0.003","75.114","0.003","69.745","0.003","3089.6","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 F2 N3 O5 -","- C35 H35 F2 N3 O5 -","- C140 H140 F8 N12 O20 -","4","2","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.119","0.0551","","","0.0921","0.1045","","","","","","1.026","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022169","12.3013","0.0017","25.064","0.004","30.495","0.004","90","","90","","90","","9402","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H56 N4 O11 -","- C53 H56 N4 O11 -","- C424 H448 N32 O88 -","8","1","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.2863","0.0641","","","0.0746","0.0941","","","","","","0.801","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022170","17.871","0.004","5.2129","0.0011","30.632","0.006","90","","101.33","0.003","90","","2798.1","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 B O2 -","- C16 H17 B O2 -","- C128 H136 B8 O16 -","8","1","","Neola F. McKinley; Donal F. O'Shea","Carbolithiation of Diphenylacetylene as a Stereoselective Route to (Z)-Tamoxifen and Related Tetrasubstituted Olefins","Journal of Organic Chemistry","2006","71","","9552","9555","10.1021/jo061949s","","","0.71073","MoKα","","0.0878","0.0833","","","0.1949","0.1981","","","","","","1.144","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022171","9.7869","0.0004","11.2474","0.0004","10.5714","0.0004","90","","102.571","0.002","90","","1135.78","0.08","150","2","150","2","","","","","","","synthetised","6","P 1 21 1","P 2yb","4","","(S~Fc~,S~S~,S)-2-(N-tosyl-1-aminoethyl)-1-t-butylsulfinylferrocene","","- C23 H29 Fe N O3 S2 -","- C23 H29 Fe N O3 S2 -","- C46 H58 Fe2 N2 O6 S4 -","2","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0581","0.0351","","","0.0849","0.1029","","","","","","1.081","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022172","11.8067","0.0004","11.8067","0.0004","19.3721","0.0007","90","","90","","90","","2700.43","0.16","150","2","150","2","","","","","","","synthetised","6","P 41","P 4w","76","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2-cyclohexyl)-1-tert-butylsulfinylferrocene","","- C28 H37 Fe N O3 S2 -","- C28 H37 Fe N O3 S2 -","- C112 H148 Fe4 N4 O12 S8 -","4","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0393","0.0271","","","0.0574","0.0616","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022173","16.2321","0.0003","17.8126","0.0004","18.5205","0.0004","90","","90","","90","","5354.94","0.19","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2,2-dimethylpropyl)-1-t-butylsulfinyl ferrocene","","- C26 H35 Fe N O3 S2 -","- C26 H35 Fe N O3 S2 -","- C208 H280 Fe8 N8 O24 S16 -","8","2","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0571","0.0349","","","0.0887","0.1121","","","","","","1.139","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022174","17.7483","0.0014","19.5715","0.0016","22.6086","0.0018","90","","90","","90","","7853.3","1.1","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~,S)-2-(N-carbamoyl-1-amino-1-phenyl)-1-t-butylsulfinylferrocene","","- C26 H33 Fe N O3 S -","- C26 H33 Fe N O3 S -","- C312 H396 Fe12 N12 O36 S12 -","12","3","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0496","0.032","","","0.0717","0.0855","","","","","","1.08","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022175","21.979","0.002","22.02","0.002","26.603","0.003","107.85","0.01","94.8","0.01","119.6","0.01","10217.2","1.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5,11,17,23,29,35-hexa-tert-butyl-37,39,41- tris{4-(2-pyridyl)phenoxy}-38,40,42-trimethoxycalix[6]arene","","- C111.75 H134.5 Cl5.5 N3 O8 -","- C110.125 H131 Cl5.25 N3 O7.5 -","- C440.5 H524 Cl21 N12 O30 -","4","2","","Xianshun Zeng; Andrei S. Batsanov; Martin R. Bryce","Calix[6]arene Derivatives Selectively Functionalized at Alternate Sites on the Smaller Rim with 2-Phenylpyridine and 2-Fluorenylpyridine Substituents to Provide Deep Cavities","Journal of Organic Chemistry","2006","71","","9589","9594","10.1021/jo0614341","","","0.71073","MoKα","","0.187","0.1029","","","0.2869","0.3302","","","","","","1.033","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022176","10.775","0.003","6.0652","0.0019","28.906","0.009","90","","99.145","0.006","90","","1865","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br O3 Se -","- C19 H17 Br O3 Se -","- C76 H68 Br4 O12 Se4 -","4","1","","Guofei Chen; Chunling Fu; Shengming Ma","Electrophilic Interaction of 2,3-Allenoates with PhSeCl. An Unexpected Highly Stereoselective Synthesis of 3-Phenylseleno-4-oxo-2(E)-alkenoates","Journal of Organic Chemistry","2006","71","","9877","9879","10.1021/jo061680c","","","0.71073","MoKα","","0.1433","0.0548","","","0.1186","0.1364","","","","","","0.742","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022177","7.2861","0.0005","11.8334","0.0008","11.921","0.0008","77.142","0.001","81.955","0.001","73.952","0.001","959.62","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O6 W -","- C20 H12 N2 O6 W -","- C40 H24 N4 O12 W2 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0674","0.0646","","","0.1609","0.1631","","","","","","1.021","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022178","8.2698","0.0008","14.1014","0.0014","14.9278","0.0014","90","","90","","90","","1740.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Cr N2 O6 -","- C18 H10 Cr N2 O6 -","- C72 H40 Cr4 N8 O24 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0643","0.0442","","","0.0829","0.0886","","","","","","0.841","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022179","7.4595","0.001","11.6192","0.0016","23.142","0.003","90","","90","","90","","2005.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 O6 W -","- C21 H14 N2 O6 W -","- C84 H56 N8 O24 W4 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0632","0.0489","","","0.1032","0.1082","","","","","","0.936","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022180","9.1287","0.0015","9.5708","0.0015","10.035","0.0016","93.09","0.003","92.832","0.003","97.417","0.003","866.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cr N2 O6 -","- C18 H10 Cr N2 O6 -","- C36 H20 Cr2 N4 O12 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0603","0.045","","","0.0921","0.0981","","","","","","0.934","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022181","8.1744","0.001","11.2178","0.0013","12.2979","0.0015","89.906","0.002","75.338","0.002","86.599","0.002","1089","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0813","0.0474","","","0.0961","0.1088","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022182","9.1659","0.0016","7.0239","0.0013","17.433","0.003","90","","103.287","0.003","90","","1092.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0804","0.0442","","","0.1023","0.1194","","","","","","0.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022183","3.926","0.002","12.465","0.007","14.678","0.008","107.643","0.009","94.523","0.012","92.228","0.01","681","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.1366","0.0559","","","0.1176","0.1399","","","","","","0.84","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022184","33.917","0.004","8.8453","0.0011","20.024","0.002","90","","94.749","0.004","90","","5986.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 F8 N4 O5 Zn -","- C68 H26 F8 N4 O5 Zn -","- C272 H104 F32 N16 O20 Zn4 -","4","0.5","","Chao Liu; Dong-Mei Shen; Zhuo Zeng; Can-Cheng Guo; Qing-Yun Chen","C-F Bond Activation by Modified Sulfinatodehalogenation: Facile Synthesis and Properties of Novel Tetrafluorobenzoporphyrins by Direct Intramolecular Cyclization and Reductive Defluorinative Aromatization of Readily Available β-Perfluoroalkylated Porphyrins","Journal of Organic Chemistry","2006","71","","9772","9783","10.1021/jo061743r","","","0.71073","MoKα","","0.0908","0.0684","","","0.1882","0.2","","","","","","0.977","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022185","14.1116","0.0014","17.7254","0.0017","14.209","0.0015","90","","117.54","0.002","90","","3151.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C69 H38 Cl2 F16 N4 O2 Zn -","- C69 H38 Cl2 F16 N4 O2 Zn -","- C138 H76 Cl4 F32 N8 O4 Zn2 -","2","0.5","","Chao Liu; Dong-Mei Shen; Zhuo Zeng; Can-Cheng Guo; Qing-Yun Chen","C-F Bond Activation by Modified Sulfinatodehalogenation: Facile Synthesis and Properties of Novel Tetrafluorobenzoporphyrins by Direct Intramolecular Cyclization and Reductive Defluorinative Aromatization of Readily Available β-Perfluoroalkylated Porphyrins","Journal of Organic Chemistry","2006","71","","9772","9783","10.1021/jo061743r","","","0.71073","MoKα","","0.1268","0.0832","","","0.2445","0.2722","","","","","","1.006","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022186","18.1909","0.0009","19.4186","0.0016","22.3881","0.0016","100.282","0.004","111.204","0.004","108.068","0.004","6621.8","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C69 H98 O15 -","- C69 H98 O15 -","- C276 H392 O60 -","4","2","","Bernardo Masci; Daniela Persiani; Pierre Thuéry","Complexation of Quaternary Ammonium Ions by Tetraester Derivatives of [3.1.3.1]Homooxacalixarene in Mobile and in Fixed Conformation","Journal of Organic Chemistry","2006","71","","9784","9790","10.1021/jo0617621","","","0.71073","MoKα","","0.1538","0.0797","","","0.2018","0.2332","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022187","13.7593","0.0008","13.9522","0.0011","20.5857","0.0016","83.983","0.003","89.968","0.004","63.167","0.004","3502.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H106 O15 -","- C73 H106 O15 -","- C146 H212 O30 -","2","1","","Bernardo Masci; Daniela Persiani; Pierre Thuéry","Complexation of Quaternary Ammonium Ions by Tetraester Derivatives of [3.1.3.1]Homooxacalixarene in Mobile and in Fixed Conformation","Journal of Organic Chemistry","2006","71","","9784","9790","10.1021/jo0617621","","","0.71073","MoKα","","0.1374","0.0817","","","0.1893","0.2273","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022188","5.241","0.004","7.604","0.006","24.455","0.018","90","","95.713","0.013","90","","969.8","1.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.214","0.1329","","","0.4277","0.4489","","","","","","1.329","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022189","15.1567","0.001","5.702","0.0004","17.05","0.0011","90","","101.526","0.001","90","","1443.81","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F9 N O4 S -","- C10 H8 F9 N O4 S -","- C40 H32 F36 N4 O16 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.1287","0.0608","","","0.1606","0.1846","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022190","4.9308","0.0004","9.6974","0.0009","13.0845","0.0012","69.191","0.001","84.771","0.002","87.873","0.002","582.4","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N4 O3 -","- C10 H13 Cl N4 O3 -","- C20 H26 Cl2 N8 O6 -","2","1","","Ahmad Basheer; Zvi Rappoport","Substituted 2-Methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and Substituted Imidazopyrimidinediones from Cl(CH~2~)~n~NCO and Cl(CH~2~)~n~NCS and Active Methylene Compound","Journal of Organic Chemistry","2006","71","","9743","9750","10.1021/jo061835g","","","0.71073","MoKα","","0.0705","0.0585","","","0.1552","0.1652","","","","","","1.024","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022191","8.8685","0.0003","9.8291","0.0003","13.5654","0.0005","97.767","0.001","107.642","0.001","101.452","0.001","1080.02","0.06","180","1","180","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C50 H52 O12 -","2","1","","Eric Fillion; Aaron M. Dumas; Sylvia A. Hogg","Modular Synthesis of Tetrahydrofluorenones from 5-Alkylidene Meldrum's Acids","Journal of Organic Chemistry","2006","71","","9899","9902","10.1021/jo0618876","","","0.71073","MoKα","","0.0476","0.0424","","","0.0987","0.0997","","","","","","1.983","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022192","10.2853","0.0006","12.4634","0.0007","25.1743","0.0014","90","","90","","90","","3227.1","0.3","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O7 S2 -","- C25 H37 N O7 S2 -","- C100 H148 N4 O28 S8 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0674","0.0635","","","0.1627","0.1727","","","","","","1.036","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022193","7.0629","0.0003","13.3419","0.0005","31.0227","0.0011","90","","90","","90","","2923.3","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N4 O9 S -","- C25 H38 N4 O9 S -","- C100 H152 N16 O36 S4 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0545","0.0459","","","0.1198","0.1276","","","","","","1.05","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022194","10.3388","0.0014","5.1216","0.0014","15.23","0.004","90","","94.85","0.02","90","","803.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N4 O8 -","- C13 H18 N4 O8 -","- C26 H36 N8 O16 -","2","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0721","0.0617","","","0.1752","0.1848","","","","","","1.072","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022195","7.3016","0.001","8.4264","0.0012","30.356","0.004","90","","90","","90","","1867.7","0.5","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Dibromodihydroarnottin II","","","- C20 H14 Br2 O7 -","- C20 H14 Br2 O7 -","- C80 H56 Br8 O28 -","4","1","","Fujiko Konno; Tsutomu Ishikawa; Masatoshi Kawahata; Kentaro Yamaguchi","Concise Synthesis of Arnottin I and (-)-Arnottin II","Journal of Organic Chemistry","2006","71","","9818","9823","10.1021/jo061905j","","","0.71073","MoKα","","0.0693","0.0551","","","0.1428","0.1547","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022196","8.49","0.005","11.316","0.005","30.145","0.017","90","","90","","90","","2896","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 F3 O3 -","- C13 H19 F3 O3 -","- C104 H152 F24 O24 -","8","2","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0798","0.0605","","","0.1345","0.1452","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022197","12.8271","0.0018","6.678","0.0007","15.6221","0.0018","90","","113.549","0.008","90","","1226.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 Cl2 F3 N O3 -","- C23 H28 Cl2 F3 N O3 -","- C46 H56 Cl4 F6 N2 O6 -","2","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.063","0.048","","","0.1138","0.1212","","","","","","1.101","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022198","12.7643","0.0015","14.9692","0.0017","22.258","0.003","90","","90","","90","","4253","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl6 P2 Pt -","- C46 H36 Cl6 P2 Pt -","- C184 H144 Cl24 P8 Pt4 -","4","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0317","0.0267","","","0.054","0.0555","","","","","","1.103","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022199","19.2601","0.001","9.9781","0.0005","19.7255","0.001","90","","114.067","0.001","90","","3461.3","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N3 O6 P S -","- C32 H44 N3 O6 P S -","- C128 H176 N12 O24 P4 S4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.1003","0.0579","","","0.102","0.1112","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022200","18.0374","0.001","9.7348","0.0005","19.0824","0.0011","90","","94.674","0.001","90","","3339.5","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N5 O6 P -","- C31 H44 N5 O6 P -","- C124 H176 N20 O24 P4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.1077","0.0797","","","0.1745","0.1905","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022201","16.2599","0.0008","18.4942","0.0009","11.2391","0.0005","90","","101.538","0.001","90","","3311.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N3 O6 P -","- C32 H48 N3 O6 P -","- C128 H192 N12 O24 P4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.0732","0.0472","","","0.1012","0.1073","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022202","12.0296","0.0006","16.3575","0.0008","19.1558","0.001","90","","106.572","0.001","90","","3612.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 N2 O6 P -","- C37 H49 N2 O6 P -","- C148 H196 N8 O24 P4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.0562","0.0438","","","0.1269","0.1326","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022203","27.852","0.002","9.5057","0.0004","23.098","0.002","90","0.01","126.802","0.002","90","0.01","4896.6","0.6","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 N3 O4 -","- C25 H33 N3 O4 -","- C200 H264 N24 O32 -","8","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Maria Teresa Rocchetti","Metalation of 2-Chloromethyl-2-oxazolines: Synthesis of 1,2,3-Tris(oxazolinyl)cyclopropanes and Derivatives","Journal of Organic Chemistry","2002","67","","759","763","10.1021/jo015962i","","","0.71073","MoKα","","0.126","0.072","","0.059","0.057","0.057","","","1.848","1.761","1.761","1.761","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022204","10.5209","0.0005","8.4274","0.0004","22.1592","0.0011","90","","92.433","0.001","90","","1962.95","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N2 O Si -","- C19 H26 N2 O Si -","- C76 H104 N8 O4 Si4 -","4","1","","Marco Bandini; Pier Giorgio Cozzi; Massimo Giacomini; Paolo Melchiorre; Simona Selva; Achille Umani-Ronchi","Sequential One-Pot InBr~3~-Catalyzed 1,4- then 1,2-Nucleophilic Addition to Enones","Journal of Organic Chemistry","2002","67","","3700","3704","10.1021/jo0163243","","","0.71073","MoKα","","0.1151","0.05","","","0.1148","0.1452","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022205","18.219","0.003","20.086","0.004","10.365","0.002","90","","90","","90","","3792","1","20","","20","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","?","- C152 H152 F24 Fe4 N4 O4 Pd4 S4 Sb4 -","- C152 H152 F24 Fe4 N4 O4 Pd4 S4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.036","","","0.039","","","","","1.23","1.23","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022206","11.341","0.003","15.198","0.002","14.531","0.004","90","","99.82","0.02","90","","2467","1","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","?","- C104 H100 F22 Fe2 N2 O6 Pd2 S2 Sb2 -","- C104 H100 F22 Fe2 N2 O6 Pd2 S2 Sb2 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.049","","","0.053","","","","","1.63","1.63","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022207","14.431","0.004","22.102","0.003","12.957","0.005","90","","90","","90","","4132","1","20","","20","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","?","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.043","","","0.045","","","","","1.16","1.16","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022208","14.561","0.007","25.551","0.004","10.929","0.005","90","","90","","90","","4066","2","20","","20","","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","?","- C164 H148 Cl8 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C164 H148 Cl8 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.049","","","0.05","","","","","1.32","1.32","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022209","5.754","0.004","9.575","0.004","15.766","0.017","75.7","0.06","88.81","0.07","74.05","0.05","808.2","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Br O4 P -","- C16 H16 Br O4 P -","- C32 H32 Br2 O8 P2 -","2","1","","David Crich; Fernando Sartillo-Piscil; Leticia Quintero-Cortes; Donald J. Wink","Radical Contraction of 1,3,2-Dioxaphosphepanes to 1,3,2-Dioxaphosphorinanes: A Kinetic and ^17^O NMR Spectroscopic Study","Journal of Organic Chemistry","2002","67","","3360","3364","10.1021/jo016388d","","","0.71073","MoKα","","0.1617","0.075","","","0.1701","0.1991","","","","","","0.989","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022210","6.135","0.006","10.0595","0.0008","24.328","0.005","90","","92.74","0.03","90","","1499.7","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 O4 P -","- C16 H17 O4 P -","- C64 H68 O16 P4 -","4","1","","David Crich; Fernando Sartillo-Piscil; Leticia Quintero-Cortes; Donald J. Wink","Radical Contraction of 1,3,2-Dioxaphosphepanes to 1,3,2-Dioxaphosphorinanes: A Kinetic and ^17^O NMR Spectroscopic Study","Journal of Organic Chemistry","2002","67","","3360","3364","10.1021/jo016388d","","","0.71073","MoKα","","0.0535","0.0377","","","0.1042","0.131","","","","","","0.465","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022211","6.2571","0.0003","12.9524","0.0011","16.9737","0.0014","90","","90","","90","","1375.62","0.18","293","2","293","2","","","","","","","Hitchcock Laboratory","4","P 21 21 21","P 2ac 2ab","19","","(5S,6R)-4,5-dimethyl-6-phenyl-3-propionyl-2H-1,3,4-oxadiazin-2-one","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","David M. Casper; Jennifer R. Blackburn; Christopher D. Maroules; Tana Brady; Joel M. Esken; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock","Conformational Studies of N~3~-Substituted [1,3,4]-Oxadiazinan-2-ones","Journal of Organic Chemistry","2002","67","","8871","8876","10.1021/jo020322g","","x-ray","0.71073","MoKα","","0.0393","0.0318","","","0.0841","0.0883","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022212","7.346","0.001","6.938","0.001","13.727","0.001","90","","96.62","0.01","90","","694.95","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-5-pyridine boronoc acid","","- C5 H5 B Br N O2 -","- C5 H5 B Br N O2 -","- C20 H20 B4 Br4 N4 O8 -","4","1","","Paul R. Parry; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Brian Tarbit","Functionalized Pyridylboronic Acids and Their Suzuki Cross-Coupling Reactions To Yield Novel Heteroarylpyridines","Journal of Organic Chemistry","2002","67","","7541","7543","10.1021/jo020388b","","","0.71073","MoKα","","0.0235","0.0189","","","0.0491","0.0502","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022213","7.535","0.002","6.941","0.001","13.877","0.003","90","","96.81","0.04","90","","720.7","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-5-pyridine boronoc acid","","- C5 H5 B Br N O2 -","- C5 H5 B Br N O2 -","- C20 H20 B4 Br4 N4 O8 -","4","1","","Paul R. Parry; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Brian Tarbit","Functionalized Pyridylboronic Acids and Their Suzuki Cross-Coupling Reactions To Yield Novel Heteroarylpyridines","Journal of Organic Chemistry","2002","67","","7541","7543","10.1021/jo020388b","","","0.71073","MoKα","","0.0659","0.0359","","","0.0745","0.0824","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022214","8.906","0.001","7.277","0.001","10.389","0.001","90","","96.55","0.01","90","","668.91","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-chloro-5-pyridine boronic acid","","- C5 H5 B Cl N O2 -","- C5 H5 B Cl N O2 -","- C20 H20 B4 Cl4 N4 O8 -","4","1","","Paul R. Parry; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Brian Tarbit","Functionalized Pyridylboronic Acids and Their Suzuki Cross-Coupling Reactions To Yield Novel Heteroarylpyridines","Journal of Organic Chemistry","2002","67","","7541","7543","10.1021/jo020388b","","","0.71073","MoKα","","0.0341","0.0294","","","0.0814","0.0843","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022215","21.67","0.002","21.67","0.002","23.534","0.002","90","","90","","120","","9570.3","1.5","100","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H120 Cl20 N26 Na7 O72 -","- C60 H120 Cl20 N26 Na7 O72 -","- C180 H360 Cl60 N78 Na21 O216 -","3","0.166667","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Samuele Ciattini; Claudia Giorgi; Sauro Maoggi; Piero Paoletti; Barbara Valtancoli","Synthesis of New Tren-Based Tris-Macrocycles. Anion Cluster Assembling Inside the Cavity Generated by a Bowl-Shaped Receptor","Journal of Organic Chemistry","2002","67","","9107","9110","10.1021/jo020474b","","","1.54178","CuKα","","0.0938","0.0834","","","0.2233","0.2342","","","","","","0.972","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022216","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022217","9.0255","0.0009","14.6531","0.0015","15.6437","0.0016","99.7","0.002","96.215","0.002","101.893","0.002","1973.5","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 B Cl2 Cu F4 N4 -","- C39 H42 B Cl2 Cu F4 N4 -","- C78 H84 B2 Cl4 Cu2 F8 N8 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.2221","0.0915","","","0.1388","0.1785","","","","","","0.983","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022218","11.4466","0.0006","18.114","0.0009","19.5085","0.0006","69.387","0.001","78.246","0.001","82.443","0.001","3698.7","0.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C150 H164 Cl4 Cu4 F12 N8 O12 S4 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0686","0.0536","","","0.1247","0.1387","","","","","","1.07","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022219","13.309","0.003","16.309","0.003","16.933","0.004","67.822","0.001","68.792","0.001","77.318","0.001","3158.2","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H56 Cu2 F6 N4 O6 S2 -","- C74 H56 Cu2 F6 N4 O6 S2 -","- C148 H112 Cu4 F12 N8 O12 S4 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.1166","0.0647","","","0.1506","0.1852","","","","","","1.025","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022220","7.8074","0.0009","14.9746","0.0015","11.063","0.002","90","","103.89","0.001","90","","1255.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 Cl4 N2 -","- C28 H20 Cl4 N2 -","- C56 H40 Cl8 N4 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0472","0.0445","","","0.1069","0.1101","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022221","5.9093","0.0006","16.6299","0.0016","18.9066","0.0019","90","","90","","90","","1858","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0288","0.0265","","","0.0711","0.0717","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022222","15.57","0.01","15.58","0.01","24.91","0.01","90","","91.65","0.02","90","","6045","7","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H25 F7 O2 -","- C36 H25 F7 O2 -","- C288 H200 F56 O16 -","8","1","","Anastasia Detsi; Maria Koufaki; Theodora Calogeropoulou","Synthesis of (Z)-4-Hydroxytamoxifen and (Z)-2-[4-[1-(p-Hydroxyphenyl)-2-phenyl]-1butenyl]phenoxyacetic Acid","Journal of Organic Chemistry","2002","67","","4608","4611","10.1021/jo0255328","","","0.71073","MoKα","","0.1009","0.0642","","0.2","0.1683","","","","1.064","1.16","1.16","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022223","8.9514","0.0015","11.434","0.002","11.871","0.003","118.688","0.015","97.82","0.018","91.649","0.017","1049.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","01125","","","- C20 H22 N2 O4 S3 -","- C20 H22 N2 O4 S3 -","- C40 H44 N4 O8 S6 -","2","1","","Ted M. Pappenfus; Jonathan D. Raff; Eric J. Hukkanen; Jason R. Burney; Juan Casado; Steven M. Drew; Larry L. Miller; Kent R. Mann","Dinitro and Quinodimethane Derivatives of Terthiophene That Can Be Both Oxidized and Reduced. Crystal Structures, Spectra, and a Method for Analyzing Quinoid Contributions to Structure","Journal of Organic Chemistry","2002","67","","6015","6024","10.1021/jo025572b","","","0.71073","MoKα","","0.0768","0.0396","","","0.0863","0.0958","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022224","27.4345","0.0002","27.4345","0.0004","9.47","0.0001","90","0.001","90","0.001","120","","6172.69","0.12","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","((+/-) 2-[2'-(1',3',4',5',6'-Pentahydropyrimidine)] lactic acid thioanilide zwitterionic","","- C13 H17 N3 O S -","- C13 H17 N3 O S -","- C234 H306 N54 O18 S18 -","18","1","","Barbara Zaleska; Tomasz Bazanek; Robert Socha; Marcin Karelus; Jacek Grochowski; Paweł Serda","Synthesis of Zwitterionic Compounds: Fully Saturated Pyrimidinylium and 1,3-Diazepinylium Derivatives via the Novel Rearrangement of 3-Oxobutanoic Acid Thioanilide Derivatives","Journal of Organic Chemistry","2002","67","","4526","4529","10.1021/jo025602a","","x-ray","0.7107","MoKα","","0.0681","0.0429","","","0.1124","0.1251","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022225","14.808","0.001","15.348","0.001","11.096","0.001","90","","90","","90","","2521.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(2R)-Thiophenyl-2-allyl-phenylacetyl] (1S)-camphorsultam","","- C27 H31 N O3 S2 -","- C27 H31 N O3 S2 -","- C108 H124 N4 O12 S8 -","4","1","","Xiaomei Zhang; Zhaohui Qu; Zhihua Ma; Weifeng Shi; Xianglin Jin; Jianbo Wang","Catalytic Asymmetric [2,3]-Sigmatropic Rearrangement of Sulfur Ylides Generated from Copper(I) Carbenoids and Allyl Sulfides","Journal of Organic Chemistry","2002","67","","5621","5625","10.1021/jo025687f","","","0.71073","MoKα","","0.0501","0.0303","","","0.039","0.0416","","","","","","0.699","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022226","10.8411","0.0004","7.2542","0.0002","12.817","0.0005","90","","101.619","0.002","90","","987.32","0.06","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 O P S -","- C9 H13 O P S -","- C36 H52 O4 P4 S4 -","4","1","","Eric Mattmann; François Mercier; Louis Ricard; François Mathey","Synthesis of New Tricyclic Phosphines and Phosphinites by Intramolecular Diels-Alder Reactions of Trivalent Phospholes","Journal of Organic Chemistry","2002","67","","5422","5425","10.1021/jo025713+","","","0.71069","MoKα","","0.0742","0.0624","","","0.1812","0.1923","","","","","","1.048","","","","has coordinates","189762","2020-10-21","18:00:00",""
"4022227","9.085","0.005","11.004","0.005","10.314","0.005","90","0.005","103.309","0.005","90","0.005","1003.5","0.9","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 P S -","- C10 H15 P S -","- C40 H60 P4 S4 -","4","1","","Eric Mattmann; François Mercier; Louis Ricard; François Mathey","Synthesis of New Tricyclic Phosphines and Phosphinites by Intramolecular Diels-Alder Reactions of Trivalent Phospholes","Journal of Organic Chemistry","2002","67","","5422","5425","10.1021/jo025713+","","","0.71073","MoKα","","0.0563","0.0408","","","0.1194","0.1275","","","","","","1.03","","","","has coordinates","189762","2020-10-21","18:00:00",""
"4022228","10.3484","0.0003","12.5331","0.0003","13.3058","0.0004","88.715","0.002","78.692","0.002","79.56","0.002","1664.06","0.08","183.2","","183.2","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H43 Fe P -","- C42 H43 Fe P -","- C84 H86 Fe2 P2 -","2","1","","Noriyasu Kataoka; Quinetta Shelby; James P. Stambuli; John F. Hartwig","Air Stable, Sterically Hindered Ferrocenyl Dialkylphosphines for Palladium-Catalyzed C-C, C-N, and C-O Bond-Forming Cross-Couplings","Journal of Organic Chemistry","2002","67","","5553","5566","10.1021/jo025732j","","","0.7107","MoKalpha","","","0.0409","","","0.0403","","","","","1.686","1.686","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022229","19.4129","0.0003","18.076","0.0004","22.333","0.001","90","","104.744","0.001","90","","7578.6","0.3","183.2","","183.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 Fe2 P2 -","- C96 H94 Fe2 P2 -","- C384 H376 Fe8 P8 -","4","1","","Noriyasu Kataoka; Quinetta Shelby; James P. Stambuli; John F. Hartwig","Air Stable, Sterically Hindered Ferrocenyl Dialkylphosphines for Palladium-Catalyzed C-C, C-N, and C-O Bond-Forming Cross-Couplings","Journal of Organic Chemistry","2002","67","","5553","5566","10.1021/jo025732j","","","0.7107","MoKalpha","","","0.037","","","0.0411","","","","","2.206","2.206","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022230","12.8237","0.0001","18.9157","0.0001","13.8409","0.0002","90","","102.649","0.001","90","","3275.89","0.06","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O8 S2 -","- C36 H28 N2 O8 S2 -","- C144 H112 N8 O32 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0778","0.0554","","0.1226","0.1136","","","","1.083","1.12","1.12","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022231","12.0157","0.0003","19.0749","0.0002","17.5159","0.0004","90","","103.137","0.001","90","","3909.55","0.14","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H36 N2 O8.5 S2 -","- C43.5 H36 N2 O8.5 S2 -","- C174 H144 N8 O34 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.1525","0.096","","0.2072","0.183","","","","1.12","1.233","1.233","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022232","10.6461","0.0002","11.2207","0.0002","13.3772","0.0002","91.152","0.001","112.831","0.001","95.824","0.001","1462.11","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 O6 S2 -","- C34 H26 O6 S2 -","- C68 H52 O12 S4 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0528","0.0406","","0.1182","0.1082","","","","1.096","1.096","1.096","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022233","20.9002","0.0006","12.2823","0.0004","10.9432","0.0003","90","","98.144","0.001","90","","2780.82","0.14","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N2 O8 S2 -","- C29 H28 N2 O8 S2 -","- C116 H112 N8 O32 S8 -","4","0.5","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0831","0.0569","","0.1137","0.1047","","","","1.112","1.158","1.158","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022234","10.6203","0.0002","12.3719","0.0002","15.0349","0.0003","66.3144","0.0009","70.7873","0.0009","82.9391","0.0008","1708.22","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N2 O7 S -","- C40 H34 N2 O7 S -","- C80 H68 N4 O14 S2 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.1009","0.0772","","","0.2047","0.2298","","","","","","1.05","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022235","12.739","0.0001","13.309","0.0002","14.9414","0.0002","106.34","0.001","90.259","0.001","96.942","0.001","2411.1","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 N2 O8 S2 -","- C60 H48 N2 O8 S2 -","- C120 H96 N4 O16 S4 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.1077","0.0654","","0.1345","0.1172","","","","1.062","1.114","1.114","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022236","23.1491","0.0002","8.7724","0.0001","18.7677","0.0002","90","","90","","90","","3811.22","0.07","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H38 N2 O10 S2 -","- C42 H38 N2 O10 S2 -","- C168 H152 N8 O40 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0725","0.0575","","0.1216","0.1154","","","","1.152","1.193","1.193","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022237","10.4916","0.0001","14.0868","0.0001","14.9639","0.0002","85.767","0.001","81.101","0.001","70.938","0.001","2064.49","0.04","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N2 O10 S2 -","- C46 H36 N2 O10 S2 -","- C92 H72 N4 O20 S4 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0749","0.0627","","0.1972","0.1879","","","","1.081","1.135","1.135","","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022238","10.3083","0.0002","13.9659","0.0002","17.4765","0.0004","90","","90","","90","","2516","0.08","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N2 O8 S2 -","- C26 H22 N2 O8 S2 -","- C104 H88 N8 O32 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.048","0.0373","","","0.0861","0.0927","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022239","9.332","0.002","11.638","0.002","10.114","0.002","90","","106.22","0.03","90","","1054.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 Fe P -","- C28 H23 Fe P -","- C56 H46 Fe2 P2 -","2","1","","Henriette Lodberg Pedersen; Mogens Johannsen","Synthesis and Application of Arylmonophosphinoferrocene Ligands: Ultrafast Asymmetric Hydrosilylation of Styrene","Journal of Organic Chemistry","2002","67","","7982","7994","10.1021/jo0257804","","","0.71073","MoKα","","0.0782","0.0496","","0.1138","0.1006","","","","1.014","1.023","1.023","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022240","24.198","0.006","21.102","0.005","27.71","0.004","90","","105.591","0.008","90","","13628.8","5.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 N6 O12 -","- C68 H74 N6 O12 -","- C544 H592 N48 O96 -","8","1","","Pablo Ballester; Magdalena Capó; Antoni Costa; Pere M. Deyà; Rosa Gomila; Andreas Decken; Ghislain Deslongchamps","Dual Binding Mode of Methylmethanetriacetic Acid to Tripodal Amidopyridine Receptors","Journal of Organic Chemistry","2002","67","","8832","8841","10.1021/jo025787l","","","0.71073","MoKα","","0.3098","0.1151","","0.3869","0.2732","","","","0.916","1.448","1.448","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022241","15.531","0.001","15.894","0.001","16.488","0.001","66.36","0.02","69.16","0.02","67.34","0.02","3341.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H79 Cl3 N6 O9 -","- C69 H76 Cl3 N6 O9 -","- C138 H152 Cl6 N12 O18 -","2","1","","Pablo Ballester; Magdalena Capó; Antoni Costa; Pere M. Deyà; Rosa Gomila; Andreas Decken; Ghislain Deslongchamps","Dual Binding Mode of Methylmethanetriacetic Acid to Tripodal Amidopyridine Receptors","Journal of Organic Chemistry","2002","67","","8832","8841","10.1021/jo025787l","","","0.71073","MoKα","","0.2945","0.1194","","0.4007","0.2788","","","","1.018","1.232","1.232","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022242","14.4877","0.0012","14.8574","0.0012","15.1182","0.0012","107.588","0.002","101.468","0.002","108.218","0.002","2787.7","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H57 Cl3 N8 O4 -","- C65 H57 Cl3 N8 O4 -","- C130 H114 Cl6 N16 O8 -","2","1","","Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs","Methylene-Bridged Glycoluril Dimers: Synthetic Methods","Journal of Organic Chemistry","2002","67","","5817","5830","10.1021/jo0258958","","","0.71073","MoKα","","0.0654","0.053","","","0.1502","0.1591","","","","","","1.082","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022243","10.7933","0.0009","26.35","0.002","16.7931","0.0014","90","","90","","90","","4776.1","0.7","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H54 N10 O12 -","- C46.02 H54.05 N10 O12 -","- C184.08 H216.2 N40 O48 -","4","1","","Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs","Methylene-Bridged Glycoluril Dimers: Synthetic Methods","Journal of Organic Chemistry","2002","67","","5817","5830","10.1021/jo0258958","","","0.71073","MoKα","","0.0586","0.0422","","","0.1078","0.1189","","","","","","1.065","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022244","20.9952","0.0017","16.8963","0.0013","11.947","0.0009","90","","105.506","0.002","90","","4083.8","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N8 O12 -","- C42 H48 N8 O12 -","- C168 H192 N32 O48 -","4","1","","Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs","Methylene-Bridged Glycoluril Dimers: Synthetic Methods","Journal of Organic Chemistry","2002","67","","5817","5830","10.1021/jo0258958","","","0.71073","MoKα","","0.0774","0.0554","","","0.1372","0.1542","","","","","","1.087","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022245","6.72","0.002","28.366","0.009","9.655","0.003","90","","108.894","0.005","90","","1741","2","100","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H27 F2 N2 O3.5 S -","- C13 H27 F2 N2 O3.5 S -","- C52 H108 F8 N8 O14 S4 -","4","2","","Donnette D. Staas; Kelly L. Savage; Carl F. Homnick; Nancy N. Tsou; Richard G. Ball","Asymmetric Synthesis of α,α-Difluoro-β-amino Acid Derivatives from Enantiomerically Pure N-tert-Butylsulfinimines","Journal of Organic Chemistry","2002","67","","8276","8279","10.1021/jo0259313","","","0.71073","MoKα","","","0.043","","","0.091","0.105","","","","0.969","0.969","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022246","5.978","0.0004","10.568","0.0008","27.154","0.002","90","","90","","90","","1715.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acylated-piperidin-2-one","di(tert-butyl)-(2S)-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate","","- C15 H25 N O5 -","- C15 H25 N O5 -","- C60 H100 N4 O20 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-P. Briand; G. Guichard","Diastereoselective Hydroxylation of 6-Substituted Piperidin-2-ones. An Efficient Synthesis of (2S,5R)-5-Hydroxylysine and Related α-Amino Acids","Journal of Organic Chemistry","2002","67","","8440","8449","10.1021/jo025950c","","","0.7107","MoKα","","0.0867","0.0629","","","0.1677","0.1905","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022247","8.616","0.0002","11.688","0.0003","17.157","0.0004","90","","90","","90","","1727.78","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acylated-3-hydroxylated piperidin-2-one","di(tert-butyl)-(2S,5R)-5-hydroxy-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C60 H100 N4 O24 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-P. Briand; G. Guichard","Diastereoselective Hydroxylation of 6-Substituted Piperidin-2-ones. An Efficient Synthesis of (2S,5R)-5-Hydroxylysine and Related α-Amino Acids","Journal of Organic Chemistry","2002","67","","8440","8449","10.1021/jo025950c","","","0.7107","MoKα","","0.0657","0.0424","","","0.1065","0.1202","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022248","20.698","0.0005","20.698","0.0005","11.1777","0.0003","90","","90","","120","","4147.1","0.2","159.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H26 N O3 S -","- C17 H27 N O3 S -","- C153 H243 N9 O27 S9 -","9","1","","Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2002","67","","7819","7832","10.1021/jo025957u","","","0.7107","MoKα","","","0","","","","0.0436","","","","","","1.62","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022249","9.338","0.001","23.936","0.002","10.855","0.001","90","","96.51","0.002","90","","2410.6","0.4","156.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N6 O4 S -","- C20 H32 N6 O4 S -","- C80 H128 N24 O16 S4 -","4","2","","Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2002","67","","7819","7832","10.1021/jo025957u","","","0.7107","MoKα","","","0","","","","0.0283","","","","","","0.797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022250","8.5477","0.0005","11.2039","0.0008","13.772","0.0012","90","","90","","90","","1318.91","0.17","173","1","173","1","","","","","","","see text","4","P n a 21","P 2c -2n","33","","","","- C14 H14 O4 S -","- C14 H14 O4 S -","- C56 H56 O16 S4 -","4","1","","Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König","Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne","Journal of Organic Chemistry","2002","67","","6805","6807","10.1021/jo025998q","","","0.71073","MoKα","","0.0343","0.032","","","0.0778","0.0789","","","","","","1.052","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022251","7.9339","0.0005","15.9909","0.0011","17.3091","0.0014","90","","90","","90","","2196","0.3","173","1","173","1","","","","","","","see text","3","P c a b","-P 2bc 2ac","61","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","1","","Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König","Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne","Journal of Organic Chemistry","2002","67","","6805","6807","10.1021/jo025998q","","","0.71073","MoKα","","0.0465","0.0371","","","0.0949","0.0989","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022252","3.777","0.0001","9.4807","0.0002","8.2024","0.0002","90","","98.348","0.001","90","","290.604","0.012","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","diazetine","3-Methyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C10 H10 N6 O4 -","2","0.5","","Gary W. Breton; Kenneth L. Martin","Are 1,2-Dihydrodiazetes Aromatic? An Experimental and Computational Investigation","Journal of Organic Chemistry","2002","67","","6699","6704","10.1021/jo026082m","","","0.71073","MoKα","","0.0607","0.0318","","","0.0827","0.0848","","","","","","0.686","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022253","9.6035","0.0008","19.58","0.003","17.734","0.003","90","","95.768","0.008","90","","3317.8","0.7","293.2","","293.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H43 N O8 -","- C34 H43 N O8 -","- C136 H172 N4 O32 -","4","1","","Kazunori Tsubaki; Tadamune Otsubo; Tatsuya Morimoto; Hiromi Maruoka; Mika Furukawa; Yashima Momose; Muhong Shang; Kaoru Fuji","Modification of the Upper Rim of Homooxacalix[3]arenes and Complexation between a Nitrohomooxacalix[3]arene Derivative and n-Hexylamine","Journal of Organic Chemistry","2002","67","","8151","8156","10.1021/jo026152p","","","1.5418","CuKα","","","0.1217","","","0.1727","","","","","1.62","1.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022254","10.863","0.003","16.517","0.003","10.313","0.003","90","","90","","90","","1850.4","0.7","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 Cl3 N O3 -","- C15 H24 Cl3 N O3 -","- C60 H96 Cl12 N4 O12 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1092","0.0756","","0.0474","0.0458","","","","2.572","2.903","2.903","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022255","12.079","0.008","13.306","0.004","20.402","0.004","90","","95.11","0.03","90","","3266","2","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl3 N O5 -","- C12 H16 Cl3 N O5 -","- C96 H128 Cl24 N8 O40 -","8","2","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1665","0.0654","","0.0731","0.0605","","","","1.516","1.816","1.816","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022256","18.172","0.005","12.733","0.007","10.866","0.005","90","","90","","90","","2514","2","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl3 N O3 -","- C8 H12 Cl2.996 N O3 -","- C64 H96 Cl23.968 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1593","0.0862","","","0.2246","0.2851","","","","","","1.015","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022257","10.2633","0.0018","10.9378","0.0013","9.7783","0.0018","115.014","0.011","115.946","0.012","74.141","0.013","889.2","0.2","293","2","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl3 N O7 -","- C13 H16 Cl3 N O7 -","- C26 H32 Cl6 N2 O14 -","2","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.0631","0.0574","","","0.1589","0.1672","","","","","","1.053","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022258","12.947","0.006","20.304","0.004","8.817","0.004","90","","90","","90","","2317","1","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O11 S -","- C20 H24 O11 S -","- C80 H96 O44 S4 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.0748","0.0489","","0.0409","0.0387","","","","1.826","1.971","1.971","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022259","14.347","0.002","17.944","0.002","11.441","0.002","90","","90","","90","","2945.4","0.5","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl3 N O3 -","- C11 H18 Cl3 N O3 -","- C88 H144 Cl24 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1425","0.0745","","0.0535","0.0501","","","","2.216","2.739","2.739","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022260","10.9186","0.0015","12.083","0.002","13.501","0.003","90","","93.721","0.016","90","","1777.4","0.6","293","2","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cl3 N O5 -","- C13 H18 Cl3 N O5 -","- C52 H72 Cl12 N4 O20 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.095","0.0641","","","0.168","0.1905","","","","","","1.034","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022261","11.595","0.006","12.862","0.005","11.561","0.006","101.31","0.04","119.63","0.03","73.15","0.03","1431","1","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H36 Cl5 N3 O5 Os -","- C19 H36 Cl5 N3 O5 Os -","- C38 H72 Cl10 N6 O10 Os2 -","2","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","0.7107","MoKα","","0.066","0.0354","","0.0369","0.0316","","","","1.609","1.521","1.521","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022262","9.037","0.003","10.391","0.006","10.441","0.004","90","","112.68","0.03","90","","904.6","0.7","296.2","","296.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H24 F3 N3 O5 Os -","- C13 H23 F3 N3 O5 Os -","- C26 H46 F6 N6 O10 Os2 -","2","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","0.7107","MoKα","","0.0516","0.0323","","0.0324","0.0276","","","","1.73","1.576","1.576","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022263","25.073","0.003","17.012","0.003","13.935","0.002","90","","91.307","0.004","90","","5942.6","1.6","294","2","294","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H58 Cl2 N4 O4 P2 Ru -","- C56 H58 Cl2 N4 O4 P2 Ru -","- C224 H232 Cl8 N16 O16 P8 Ru4 -","4","1","","Jing Wu; Hua Chen; Waihim Kwok; Rongwei Guo; Zhongyuan Zhou; Chihung Yeung; Albert S. C. Chan","Air-Stable Catalysts for Highly Efficient and Enantioselective Hydrogenation of Aromatic Ketones","Journal of Organic Chemistry","2002","67","","7908","7910","10.1021/jo026168f","","","0.71073","MoKα","","0.0723","0.0579","","","0.1647","0.1748","","","","","","1.161","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022264","10.444","0.002","14.81","0.002","9.779","0.001","98.69","0.02","92.62","0.03","73.11","0.02","1430.7","0.4","273.2","","273.2","","","","","","","","","2","P -1","-P 1","2","","","","?","- C36 H46 -","- C72 H92 -","2","1","","Vered Marks; Moshe Nahmany; Hugo E. Gottlieb; Silvio E. Biali","Polyethylated Triptycene Derivatives","Journal of Organic Chemistry","2002","67","","7898","7901","10.1021/jo026206v","","","0.7107","MoKalpha","","","0.06","","","0.086","","","","","1.64","1.64","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022265","10.35","0.004","16.65","0.005","9.89","0.01","93.38","0.05","112.04","0.06","77.05","0.03","1538","1","293.2","","293.2","","","","","","","","","2","P -1","-P 1","2","","","","?","- C38 H50 -","- C76 H100 -","2","1","","Vered Marks; Moshe Nahmany; Hugo E. Gottlieb; Silvio E. Biali","Polyethylated Triptycene Derivatives","Journal of Organic Chemistry","2002","67","","7898","7901","10.1021/jo026206v","","","1.5418","CuKalpha","","","0.053","","","0.099","","","","","2.44","2.44","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022266","14.5483","0.0019","7.3661","0.001","10.7779","0.0014","90","","128.837","0.002","90","","899.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,5-dibromo-3,4-ditnitrothiophene","2,5-dibromo-3,4-ditnitrothiophene","","- C4 Br2 N2 O4 S -","- C4 Br2 N2 O4 S -","- C16 Br8 N8 O16 S4 -","4","0.5","","Don D. Kenning; Kari A. Mitchell; Tessa R. Calhoun; Melanie R. Funfar; Daniel J. Sattler; Seth C. Rasmussen","Thieno[3,4-b]pyrazines: Synthesis, Structure, and Reactivity","Journal of Organic Chemistry","2002","67","","9073","9076","10.1021/jo0262255","","","0.71073","MoKα","","0.0581","0.0472","","","0.1073","0.1106","","","","","","0.799","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022267","6.8858","0.0006","7.7556","0.0008","8.0654","0.0008","72.509","0.002","80.435","0.002","87.671","0.002","405.08","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,3-dimethylthieno[3,4-b]pyrazine","2,3-dimethylthieno[3,4-b]pyrazine","","- C8 H8 N2 S -","- C8 H8 N2 S -","- C16 H16 N4 S2 -","2","1","","Don D. Kenning; Kari A. Mitchell; Tessa R. Calhoun; Melanie R. Funfar; Daniel J. Sattler; Seth C. Rasmussen","Thieno[3,4-b]pyrazines: Synthesis, Structure, and Reactivity","Journal of Organic Chemistry","2002","67","","9073","9076","10.1021/jo0262255","","","0.71073","MoKα","","0.0701","0.0392","","","0.0906","0.1033","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022268","6.439","0.002","7.68","0.002","20.619","0.005","90","","90","","90","","1019.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 F N O3 -","- C10 H14 F N O3 -","- C40 H56 F4 N4 O12 -","4","1","","Alan Armstrong; Ghafoor Ahmed; Belén Domínguez-Fernández; Barry R. Hayter; J. Steven Wailes","Enantioselective Epoxidation of Alkenes Catalyzed by 2-Fluoro-N-Carbethoxytropinone and Related Tropinone Derivatives","Journal of Organic Chemistry","2002","67","","8610","8617","10.1021/jo026322y","","","0.71073","MoKα","","0.0324","0.0296","","","0.0763","0.0789","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022269","9.9916","0.0009","12.6105","0.0011","14.2706","0.0017","96.515","0.009","106.851","0.009","94.268","0.007","1698.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H31 Br N4 Ni -","- C45.4 H29.8 Br0.7 N4 Ni -","- C90.8 H59.6 Br1.4 N8 Ni2 -","2","1","","Izabela Schmidt; Piotr J. Chmielewski; Zbigniew Ciunik","Alkylation of the Inverted Porphyrin Nickel(II) Complex by Dihalogenalkanes: Formation of Monomeric and Dimeric Derivatives","Journal of Organic Chemistry","2002","67","","8917","8927","10.1021/jo026328n","","","0.71073","MoKα","","0.0838","0.0687","","","0.1838","0.1941","","","","","","1.037","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022270","6.154","0.001","21.446","0.005","7.486","0.002","90","","99.62","0.02","90","","974.1","0.4","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C32 H52 I4 O8 -","- C32 H52 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.043","","","0.054","","","","","2.24","2.24","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022271","8.354","0.002","18.62","0.007","6.798","0.004","89","","89","","90","","1057","1","20","","20","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","?","- C36 H60 I4 O8 -","- C36 H60 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.036","","","0.042","","","","","1.66","1.66","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022272","9.241","0.003","10.113","0.003","11.632","0.003","90","","95.18","0.02","90","","1082.6","0.5","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C36 H60 I4 O8 -","- C36 H60 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.057","","","0.066","","","","","2.59","2.59","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022273","11.72","0.005","14.66","0.004","6.647","0.004","90","","90","","90","","1142.1","0.9","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","?","- C40 H68 I4 O8 -","- C40 H68 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.046","","","0.058","","","","","1.78","1.78","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022274","6.816","0.004","7.926","0.003","21.29","0.004","90","","94.67","0.04","90","","1146.4","0.7","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","?","- C40 H68 I4 O8 -","- C40 H68 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.031","","","0.039","","","","","1.38","1.38","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022275","9.377","0.003","9.892","0.004","16.643","0.005","90","","93.58","0.03","90","","1540.7","0.8","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","?","- C48 H72 I8 O16 -","- C48 H72 I8 O16 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.034","","","0.048","","","","","2.16","2.16","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022276","6.395","0.001","6.741","0.001","17.932","0.004","90","","98.22","0.02","90","","765.1","0.2","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","?","- C24 H36 I4 O8 -","- C24 H36 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.035","","","0.045","","","","","1.92","1.92","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022277","7.2889","0.0007","7.5705","0.0006","15.566","0.002","90","","96.4","0.4","90","","853.6","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Christophe Lucatelli; Florian Viton; Yves Gimbert; Andrew E. Greene","Synthesis of C-3' Methyl Taxotere (Docetaxel)","Journal of Organic Chemistry","2002","67","","9468","9470","10.1021/jo026460n","","","0.7107","MoKα","","0.0496","0.0496","","0.0664","","0.0664","","","1.903","","","1.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022278","8.787","0.002","10.58","0.001","21.09","0.003","90","","90","","90","","1960.8","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Christophe Lucatelli; Florian Viton; Yves Gimbert; Andrew E. Greene","Synthesis of C-3' Methyl Taxotere (Docetaxel)","Journal of Organic Chemistry","2002","67","","9468","9470","10.1021/jo026460n","","","1.5418","CuKα","","0.044","0.044","","0.0468","","0.0468","","","1.887","","","1.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022279","15.576","0.003","8.4535","0.0015","13.024","0.002","90","","110.222","0.003","90","","1609.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","02006","","","- C16 H22 N2 O S -","- C16 H22 N2 O S -","- C64 H88 N8 O4 S4 -","4","1","","Indranath Ghosh; Peter A. Jacobi","Lewis Acid-Promoted Oxidative Addition of Thioimidates to Pd(0)","Journal of Organic Chemistry","2002","67","","9304","9309","10.1021/jo026510o","","","0.71073","MoKα","","0.0556","0.0443","","","0.1212","0.1309","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022280","11.9434","0.0012","11.9627","0.0012","12.4894","0.0013","89.733","0.002","62.709","0.002","86.435","0.002","1582.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","02057","","","- C32 H44 N4 O2 S2 -","- C32 H44 N4 O2 S2 -","- C64 H88 N8 O4 S4 -","2","1","","Indranath Ghosh; Peter A. Jacobi","Lewis Acid-Promoted Oxidative Addition of Thioimidates to Pd(0)","Journal of Organic Chemistry","2002","67","","9304","9309","10.1021/jo026510o","","","0.71073","MoKα","","0.0488","0.0348","","","0.0886","0.0955","","","","","","1.047","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022281","9.906","0.005","10.969","0.006","11.67","0.006","107.17","0.01","93.02","0.01","101.54","0.01","1178.6","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(3H-indole)tris(pentafluorophenyl)boron","","- C26 H7 B F15 N -","- C26 H7 B F15 N -","- C52 H14 B2 F30 N2 -","2","1","","Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni","Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles","Journal of Organic Chemistry","2003","68","","5445","5465","10.1021/jo020647x","","","0.71073","MoKα","","","0.0366","","","0.09","","","","","1.039","1.039","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022282","12.058","0.005","18.061","0.008","14.683","0.007","90","","93.76","0.01","90","","3191","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","triethylammonium 1H-indol-1-yltris(pentafluorophenyl)borate","","- C32 H22 B F15 N2 -","- C26 H6 B F15 N -","- C104 H24 B4 F60 N4 -","4","1","","Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni","Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles","Journal of Organic Chemistry","2003","68","","5445","5465","10.1021/jo020647x","","","0.71073","MoKα","","","0.0492","","","0.1235","","","","","1.107","1.107","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022283","13.586","0.001","10.882","0.001","16.261","0.002","90","","98.06","0.01","90","","2380.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,3-dihydro-1H-indole)tris(pentafluorophenyl)boron","","- C26 H9 B F15 N -","- C26 H9 B F15 N -","- C104 H36 B4 F60 N4 -","4","1","","Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni","Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles","Journal of Organic Chemistry","2003","68","","5445","5465","10.1021/jo020647x","","","0.71073","MoKα","","","0.0333","","","0.0861","","","","","1.047","1.047","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022284","12.2008","0.0007","9.3379","0.0007","22.958","0.001","90","","104.115","0.005","90","","2536.7","0.3","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N2 O4 -","- C27 H35 N2 O4 -","- C108 H140 N8 O16 -","4","1","","Shin'ichi Nakatsuji; Hiroshi Ikemoto; Hiroki Akutsu; Jun-ichi Yamada; Akira Mori","Novel Radical Compounds Bearing Mesogenic Cores with Long Alkyl Substituents","Journal of Organic Chemistry","2003","68","","1708","1714","10.1021/jo0206972","","","1.5418","CuKα","","0.0674","0.067","","0.066","","0.066","","","3.567","","","3.57","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022285","5.7679","0.001","14.891","0.003","18.637","0.003","84.86","0.003","84.664","0.003","85.737","0.003","1583.9","0.4","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H47 N2 O4 -","- C34 H47 N2 O4 -","- C68 H94 N4 O8 -","2","1","","Shin'ichi Nakatsuji; Hiroshi Ikemoto; Hiroki Akutsu; Jun-ichi Yamada; Akira Mori","Novel Radical Compounds Bearing Mesogenic Cores with Long Alkyl Substituents","Journal of Organic Chemistry","2003","68","","1708","1714","10.1021/jo0206972","","","0.7107","MoKα","","0.1288","0.119","","0.1","","0.136","","","6.422","","","4.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022286","5.7703","0.0004","13.323","0.001","15.976","0.001","90","","90","","90","","1228.2","0.2","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O3 S2 -","- C10 H14 N2 O3 S2 -","- C40 H56 N8 O12 S8 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0542","","","","0.1155","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022287","4.7794","0.0004","12.872","0.002","39.978","0.003","90","","90","","90","","2459.5","0.4","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N4 O7 S4 -","- C22 H18 N4 O7 S4 -","- C88 H72 N16 O28 S16 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0632","","","","0.162","","","","","","1.113","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022288","5.632","0.006","9","0.01","36.57","0.03","90","","90","","90","","1854","3","103.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.1086","","","","0.2433","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022289","18.5019","0.0006","13.5227","0.0004","16.3779","0.0005","90","","101.675","0.002","90","","4012.9","0.2","93.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Au N O4 P2 -","- C46 H44 Au N O4 P2 -","- C184 H176 Au4 N4 O16 P8 -","4","0.5","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0236","","","","0.0487","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022290","9.009","0.002","12.086","0.002","9.979","0.002","90","","92.45","0.03","90","","1085.5","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H23 Fe O2 P -","- C28 H23 Fe O2 P -","- C56 H46 Fe2 O4 P2 -","2","1","","Jakob F. Jensen; Inger Søtofte; Henning O. Sørensen; Mogens Johannsen","Modular Approach to Novel Chiral Aryl-Ferrocenyl Phosphines by Suzuki Cross-Coupling","Journal of Organic Chemistry","2003","68","","1258","1265","10.1021/jo026250a","","","0.71073","MoKα","","0.0469","0.0392","","0.0935","0.0897","","","","1.043","1.057","1.057","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022291","23.6973","0.0017","19.9952","0.0015","20.2313","0.0015","90","","90","","90","","9586","1","220","2","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C83 H132 N32 O16 -","- C47 H48 N20 O4 -","- C188 H192 N80 O16 -","4","0.5","","Hélène Sauriat-Dorizon; Thierry Maris; James D. Wuest; Gary D. Enright","Molecular Tectonics. Construction of Porous Hydrogen-Bonded Networks from Bisketals of Pentaerythritol","Journal of Organic Chemistry","2003","68","","240","246","10.1021/jo026267t","","","0.7107","MoKα","","0.1831","0.0836","","","0.1886","0.2203","","","","","","0.969","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022292","7.8193","0.0005","11.7104","0.0008","12.2984","0.0008","90","","90","","90","","1126.13","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0382","0.0357","","","0.1198","0.1235","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022293","6.8762","0.0006","9.0279","0.0007","21.8378","0.0018","90","","90","","90","","1355.64","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0559","0.0477","","","0.1472","0.1544","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022294","8.5662","0.0015","10.8187","0.0019","16.598","0.003","90","","90","","90","","1538.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0776","0.0523","","","0.1416","0.159","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022295","10.2666","0.0002","19.2594","0.0005","10.7649","0.0002","90","","102.115","0.001","90","","2081.12","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O S4 -","- C20 H22 N2 O S4 -","- C80 H88 N8 O4 S16 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.071","0.0408","","","0.0918","0.1027","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022296","12.9071","0.0005","6.4873","0.0002","19.0794","0.0008","90","","99.547","0.001","90","","1575.43","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H21 N O2 S2 -","- C15 H21 N O2 S2 -","- C60 H84 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0623","0.0465","","","0.1076","0.1126","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022297","20.4174","0.0002","9.8001","0.0001","23.2325","0.0002","90","","103.32","","90","","4523.58","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N O4 S2 -","- C20 H29 N O4 S2 -","- C160 H232 N8 O32 S16 -","8","2","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0594","0.0406","","","0.1012","0.1081","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022298","9.4397","0.0001","11.8345","0.0002","15.6919","0.0003","90","","90","","90","","1753.01","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 S2 -","- C16 H23 N O2 S2 -","- C64 H92 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0413","0.0323","","","0.0646","0.0677","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022299","14.2187","0.0002","9.1639","0.0002","17.4445","0.0003","90","","112.308","0.001","90","","2102.88","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C80 H116 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0707","0.0415","","","0.0926","0.1023","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022300","7.408","0.002","10.275","0.005","10.768","0.003","68.44","0.03","84.42","0.02","69.68","0.03","714.4","0.5","153","2","153","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Thorsten Bach; Michael Kemmler; Eberhardt Herdtweck","Complete Control of Regioselectivity in the Intramolecular [2 + 2] Photocycloaddition of 2-Alkenyl-3(2H)-furanones by the Length of the Side Chain","Journal of Organic Chemistry","2003","68","","1994","1997","10.1021/jo0264372","","","0.71073","MoKα","","0.0429","0.036","","","0.0939","0.0989","","","","","","1.044","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022301","6.4238","0.0008","9.6564","0.0012","21.1332","0.0025","90","","97.376","0.002","90","","1300.06","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","2","","Pankaj D. Rege; Francis Johnson","Application of Vicarious Nucleophilic Substitution to the Total Synthesis of dl-Physostigmine","Journal of Organic Chemistry","2003","68","","6133","6139","10.1021/jo026438u","","","","","","","","","","","","","","","","","","","","","has coordinates","278040","2022-09-21","12:30:29",""
"4022302","7.8267","0.0002","33.6881","0.0007","6.5923","0.0001","90","","100.119","0.001","90","","1711.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0532","0.0326","","","0.0603","0.0643","","","","","","1.013","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022303","9.1913","0.0002","9.2342","0.0001","14.238","0.0002","102.785","0.001","93.027","0.001","115.271","0.001","1050.73","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N O5 S -","- C22 H29 N O5 S -","- C44 H58 N2 O10 S2 -","2","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0459","0.0411","","","0.1127","0.1149","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022304","18.615","0.002","7.5693","0.0008","28.852","0.003","90","","90","","90","","4065.3","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H58 N2 O10 S2 -","- C44 H58 N2 O10 S2 -","- C176 H232 N8 O40 S8 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","0.71073","MoKα","","0.0721","0.0465","","","0.0966","0.1071","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022305","17.389","0.0004","10.3106","0.0002","10.3897","0.0002","90","","98.172","0.001","90","","1843.86","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0622","0.0504","","","0.1351","0.1416","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022306","9.4474","0.0002","9.0088","0.0002","22.8671","0.0004","90","","94.112","0.001","90","","1941.2","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","1.54178","CuKα","","0.0425","0.0372","","","0.1009","0.1038","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022307","7.734","0.005","6.724","0.01","16.962","0.007","90","","91.22","0.04","90","","881.9","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,5R)-menthyl[(1R,4S,5S)-2-oxo-3-oxabicyclo[3.2.0]hept-6-en-4-yl] methyl carbonate","","- C18 H26 O5 -","- C18 H26 O5 -","- C36 H52 O10 -","2","1","","Ramon Alibés; Pedro de March; Marta Figueredo; Josep Font; Xiaolin Fu; Marta Racamonde; Ángel Álvarez-Larena; Juan F. Piniella","Photochemical [2 + 2] Cycloaddition of Acetylene to Chiral 2(5H)-Furanones","Journal of Organic Chemistry","2003","68","","1283","1289","10.1021/jo0264731","","","0.71069","MoKα","","0.0342","0.0309","","","0.0914","0.0926","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022308","9.999","0.003","10.016","0.008","13.119","0.003","90","","90","","90","","1313.9","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,4S,5S)-5-methyl-4-pivaloyloxymethyl-3-oxabicyclo[3.2.0] hept-6-en-2-one","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Ramon Alibés; Pedro de March; Marta Figueredo; Josep Font; Xiaolin Fu; Marta Racamonde; Ángel Álvarez-Larena; Juan F. Piniella","Photochemical [2 + 2] Cycloaddition of Acetylene to Chiral 2(5H)-Furanones","Journal of Organic Chemistry","2003","68","","1283","1289","10.1021/jo0264731","","","0.71069","MoKα","","0.0428","0.0349","","","0.0971","0.0992","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022309","5.993","0.005","19.071","0.005","12.063","0.005","90","0.005","96.13","0.005","90","0.005","1370.8","1.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O8 -","- C27 H40 O8 -","- C54 H80 O16 -","2","1","","Élyse Bourque; Pierre Deslongchamps; Yves L. Dory","First Experimental and Theoretical Evidence of a Deactivating Enone Dienophile in the Transannular Diels-Alder Reaction","Journal of Organic Chemistry","2003","68","","2390","2397","10.1021/jo0265129","","","1.54184","CuKα","","0.1384","0.0816","","","0.2042","0.2542","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022310","15.8491","0.0011","9.845","0.017","17.9449","0.0012","90","","106.43","0.006","90","","2686","5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 O8 -","- C27 H40 O8 -","- C108 H160 O32 -","4","1","","Élyse Bourque; Pierre Deslongchamps; Yves L. Dory","First Experimental and Theoretical Evidence of a Deactivating Enone Dienophile in the Transannular Diels-Alder Reaction","Journal of Organic Chemistry","2003","68","","2390","2397","10.1021/jo0265129","","","1.54184","CuKα","","0.1288","0.1029","","","0.3085","0.3466","","","","","","1.391","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022311","13.676","0.005","16.9509","0.0016","13.899","0.003","90","","113.728","0.019","90","","2949.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 O9 -","- C29 H44 O9 -","- C116 H176 O36 -","4","1","","Élyse Bourque; Pierre Deslongchamps; Yves L. Dory","First Experimental and Theoretical Evidence of a Deactivating Enone Dienophile in the Transannular Diels-Alder Reaction","Journal of Organic Chemistry","2003","68","","2390","2397","10.1021/jo0265129","","","1.54184","CuKα","","0.099","0.0628","","","0.1642","0.1903","","","","","","1.085","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022312","12.442","0.001","12.661","0.001","8.621","0.006","90.118","0.006","99.075","0.005","94.22","0.003","1337.3","0.6","223.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F6 N2 -","- C14 H10 F6 N2 -","- C56 H40 F24 N8 -","4","2","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","4","","","4.4","","","","","1.58","1.58","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022313","9.357","0.003","12.235","0.004","6.691","0.002","99.86","0.02","109.11","0.02","85.38","0.02","712.9","0.4","221","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F6 N2 -","- C14 H10 F6 N2 -","- C28 H20 F12 N4 -","2","1","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","6.8","","","6.6","","","","","1.85","1.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022314","12.842","0.001","18.551","0.001","9.302","0.001","98.26","0.01","96.85","0.01","71.46","0.01","2072.79","","173.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F6 N2 -","- C14 H10 F6 N2 -","- C84 H60 F36 N12 -","6","3","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","3.65","","","3.88","","","","","1.9","1.9","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022315","14.592","0.001","14.909","0.001","11.28","0.001","90","0.01","90","0.01","90","0.01","2453.99","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C112 H80 N32 -","8","2","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","4.77","","","5.09","","","","","2.49","2.49","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022316","7.36","0.001","8.0568","0.0007","22.125","0.004","90","","98.12","0.01","90","","1298.8","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O5 -","- C28 H36 N2 O5 -","- C56 H72 N4 O10 -","2","1","","José M. Lassaletta; Juan Vázquez; Auxiliadora Prieto; Rosario Fernández; Gerhard Raabe; Dieter Enders","Asymmetric Synthesis of Succinic Semialdehyde Derivatives","Journal of Organic Chemistry","2003","68","","2698","2703","10.1021/jo026557+","","","1.54179","CuKα","","","0.063","","","","0.063","","","","","","1.479","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022317","6.3016","0.0003","8.7289","0.0004","10.1131","0.0005","104.554","0.002","105.514","0.002","96.646","0.003","508.73","0.04","173","1","173","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Thorsten Bach; Benjamin Grosch; Thomas Strassner; Eberhardt Herdtweck","Enantioselective [6π]-Photocyclization Reaction of an Acrylanilide Mediated by a Chiral Host. Interplay between Enantioselective Ring Closure and Enantioselective Protonation","Journal of Organic Chemistry","2003","68","","1107","1116","10.1021/jo026602d","","","0.71073","MoKα","","0.0519","0.0425","","","0.1102","0.1167","","","","","","1.064","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022318","10.4558","0.0016","18.361","0.003","10.7947","0.0017","90","","98.457","0.003","90","","2049.8","0.6","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","","Stefano Marcaccini; Daniel Miguel; Tomás Torroba; María García-Valverde","1,4-Thiazepines, 1,4-Benzothiazepin-5-ones, and 1,4-Benzothioxepin Orthoamides via Multicomponent Reactions of Isocyanides","Journal of Organic Chemistry","2003","68","","3315","3318","10.1021/jo026614z","","","0.71073","MoKα","","0.038","0.0333","","","0.0934","0.0981","","","","","","1.011","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022319","7.32","0.004","9.327","0.005","10.009","0.005","95.736","0.007","107.392","0.006","94.547","0.007","644.4","0.5","299.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","- C48 H64 N8 O12 -","2","1","","Masami Sakamoto; Takeru Sano; Shohei Fujita; Masaru Ando; Kentaro Yamaguchi; Takashi Mino; Tsutomu Fujita","Regioselective Photocycloaddition of Pyridine Derivatives to Electron-Rich Alkenes","Journal of Organic Chemistry","2003","68","","1447","1450","10.1021/jo0266285","","","0.7107","MoKa","","","0.0799","","","","0.098","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022320","10.184","0.001","11.459","0.001","11.709","0.001","90","","93.629","0.009","90","","1363.8","0.3","273.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Masami Sakamoto; Takeru Sano; Shohei Fujita; Masaru Ando; Kentaro Yamaguchi; Takashi Mino; Tsutomu Fujita","Regioselective Photocycloaddition of Pyridine Derivatives to Electron-Rich Alkenes","Journal of Organic Chemistry","2003","68","","1447","1450","10.1021/jo0266285","","","1.5418","CuKa","","","0","","","","0.081","","","","","","6.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022321","16.736","0.013","20.479","0.015","20.138","0.014","90","","99.53","0.02","90","","6807","9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzaldehyde hemicarceplex","","","- C163 H152 N2 O29 -","- C163 H152 N2 O29 -","- C326 H304 N4 O58 -","2","0.5","","Ralf Warmuth; Emily F. Maverick; Carolyn B. Knobler; Donald J. Cram","Through-Shell Alkyllithium Additions and Borane Reductions","Journal of Organic Chemistry","2003","68","","2077","2088","10.1021/jo026649z","","","1.5418","CuKα","","0.3532","0.2045","","","0.5164","0.5872","","","","","","1.73","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022322","16.65","0.011","20.442","0.014","20.043","0.013","90","","98.998","0.016","90","","6738","8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzocyclobutenone hemicarceplex","","","- C164 H152 N2 O29 -","- C164 H152 N2 O29 -","- C328 H304 N4 O58 -","2","0.5","","Ralf Warmuth; Emily F. Maverick; Carolyn B. Knobler; Donald J. Cram","Through-Shell Alkyllithium Additions and Borane Reductions","Journal of Organic Chemistry","2003","68","","2077","2088","10.1021/jo026649z","","","1.5418","CuKα","","0.2832","0.1718","","","0.456","0.5219","","","","","","1.668","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022323","16.72","0.007","20.559","0.008","20.168","0.008","90","","98.524","0.012","90","","6856","5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzocyclobutenedione hemicarceplex","","","- C164 H150 N2 O30 -","- C164 H150 N2 O30 -","- C328 H300 N4 O60 -","2","0.5","","Ralf Warmuth; Emily F. Maverick; Carolyn B. Knobler; Donald J. Cram","Through-Shell Alkyllithium Additions and Borane Reductions","Journal of Organic Chemistry","2003","68","","2077","2088","10.1021/jo026649z","","","1.5418","CuKα","","0.2711","0.157","","","0.4327","0.4953","","","","","","1.536","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022326","12.774","0.003","21.13","0.005","7.766","0.003","90","","90","","90","","2096","1","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita","Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality","Journal of Organic Chemistry","2003","68","","942","946","10.1021/jo0266689","","","1.54178","CuKα","","0.083","0.057","","0.073","0.073","0.073","","","2.605","2.534","2.534","2.534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022327","20.336","0.004","11.966","0.002","8.443","0.002","90","","98.32","0.02","90","","2032.7","0.7","298","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita","Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality","Journal of Organic Chemistry","2003","68","","942","946","10.1021/jo0266689","","","1.54178","CuKα","","0.105","0.056","","0.12","0.12","0.12","","","2.792","2.607","2.607","2.607","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022328","9.031","0.003","10.123","0.003","21.928","0.006","90","","95.28","0.03","90","","1996","1","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita","Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality","Journal of Organic Chemistry","2003","68","","942","946","10.1021/jo0266689","","","1.54178","CuKα","","0.135","0.047","","0.048","0.048","0.048","","","2.518","2.037","2.037","2.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022329","8.0424","0.0001","6.0887","0.0001","13.8157","0.0002","90","","90.659","0.001","90","","676.479","0.017","100","","100","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C32 H32 O10 -","2","1","","Alois Fürstner; Anne-Sophie Castanet; Karin Radkowski; Christian W. Lehmann","Total Synthesis of (S)-(+)-Citreofuran by Ring Closing Alkyne Metathesis","Journal of Organic Chemistry","2003","68","","1521","1528","10.1021/jo026686q","","","0.71073","MoKα","","0.0617","0.0486","","","0.1125","0.1195","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022330","6.3172","0.0006","13.184","0.002","16.313","0.001","90","","90","","90","","1358.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,1'S,2R,2'R,4S,4'S,5R,5'R)-4,4'-bis[2-methyl-3,6-dioxabicyclo[3.2.1] octan-7-one]","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella","C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol","Journal of Organic Chemistry","2003","68","","2437","2447","10.1021/jo026705w","","","0.71069","MoKα","","0.0548","0.0477","","","0.1578","0.1616","","","","","","1.193","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022331","7.483","0.002","11.221","0.003","25.339","0.005","90","","90","","90","","2127.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)-3a,5,6,6a-tetrahydrospiro [cyclopenta[b]furo-4(5H),2'(5'H)-furan]-2(3H),5'-dione","","- C16 H26 O6 Si2 -","- C16 H26 O6 Si2 -","- C64 H104 O24 Si8 -","4","1","","Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella","C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol","Journal of Organic Chemistry","2003","68","","2437","2447","10.1021/jo026705w","single crystal","","0.71069","MoKα","","0.12","0.1037","","","0.2433","0.2496","","","","","","1.131","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022332","15.6985","0.0002","17.2437","0.0002","27.4997","0.0005","90","","92.4291","0.0005","90","","7437.49","0.19","150","","150","","","","","","","","Synthesised as described.","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H117 N3 Si4 -","- C72 H117 N3 Si4 -","- C288 H468 N12 Si16 -","4","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.2101","0.1731","","0.1239","0.1156","0.1045","","","","","","1.2502","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022333","14.8345","0.0002","30.4586","0.0003","34.0301","0.0005","90","","90","","90","","15376.1","0.3","150","","150","","","","","","","","Synthesised as described.","6","P c a b","-P 2bc 2ac","61","","","","- C72 H116 Cl N3 Si4 Zn -","- C72 H116 Cl N3 Si4 Zn -","- C576 H928 Cl8 N24 Si32 Zn8 -","8","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1985","0.1229","","0.1861","0.1202","0.1178","","","","","","1.0539","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022334","15.287","0.0007","15.617","0.0009","19.032","0.0011","107.214","0.003","106.306","0.003","92.789","0.003","4122.3","0.4","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C81 H130 Cl2 N4 O Si4 -","- C81 H130 Cl2 N4 O Si4 -","- C162 H260 Cl4 N8 O2 Si8 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1137","0.0943","","0.0956","0.09","0.0897","","","","","","1.0154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022335","15.403","0.0003","17.2992","0.0004","18.1735","0.0005","77.4494","0.0011","87.2644","0.0012","65.4764","0.0018","4295.47","0.19","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C85.5 H136 N4 O2 Si4 Zn -","- C85.5 H136 N4 O2 Si4 Zn -","- C171 H272 N8 O4 Si8 Zn2 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1475","0.0927","","0.1295","0.104","0.1037","","","","","","1.0371","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022336","14.2769","0.0002","17.7899","0.0002","27.249","0.0004","73.7478","0.0005","74.938","0.0005","71.4691","0.0005","6187.72","0.15","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C121 H196 Cl2 N6 O2 Si6 -","- C121 H196.334 Cl2 N6 O2.167 Si6 -","- C242 H392.668 Cl4 N12 O4.334 Si12 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.16","0.0803","","0.1325","0.0918","0.0915","","","","","","1.1263","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022337","18.0634","0.0005","18.7545","0.0005","19.468","0.0006","86.4113","0.0009","88.034","0.001","86.7733","0.0013","6568.7","0.3","150","","150","","","","","","","","Synthesised as described.","4","P -1","-P 1","2","","","","- C134 H206 N6 Si6 -","- C134 H204.5 N6 Si6 -","- C268 H409 N12 Si12 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1834","0.1204","","0.1325","0.1199","0.1194","","","","","","1.1373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022338","15.4377","0.0002","17.0745","0.0002","18.5033","0.0002","77.8713","0.0005","89.7279","0.0006","63.8827","0.0007","4260.11","0.09","150","","150","","","","","","","","Synthesised as described.","6","P -1","-P 1","2","","","","- C82 H126 Cl4 N4 Ni Si4 -","- C81.852 H125.851 Cl3.592 N4 Ni Si4 -","- C163.704 H251.701 Cl7.184 N8 Ni2 Si8 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.099","0.0506","","0.1148","0.0599","0.0598","","","","","","1.0496","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022339","15.2923","0.0003","15.6848","0.0004","18.9901","0.0004","107.073","0.0015","106.186","0.0011","93.165","0.001","4134.71","0.17","150","","150","","","","","","","","Synthesised as described.","7","P -1","-P 1","2","","","","- C81 H128 Cl2 N4 O Pt Si4 -","- C81 H128 Cl2 N4 O Pt Si4 -","- C162 H256 Cl4 N8 O2 Pt2 Si8 -","2","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.0886","0.064","","0.078","0.0728","0.0728","","","","","","1.0091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022340","18.0619","0.0002","22.7317","0.0003","29.3777","0.0004","90","","90","","90","","12061.8","0.3","150","","150","","","","","","","","Synthesised as described.","6","P b c a","-P 2ac 2ab","61","","","","- C60 H93 N3 Ni O2 Si3 -","- C60 H93 N3 Ni O2 Si3 -","- C480 H744 N24 Ni8 O16 Si24 -","8","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","","0.0451","","","","0.0476","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022341","17.465","0.003","11.036","0.002","9.447","0.002","90","0","97.84","0.05","90","0","1803.8","0.6","22","","22","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 F3 N S -","- C22 H12 F3 N S -","- C88 H48 F12 N4 S4 -","4","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.1162","0.0693","","0.2311","0.2016","","","","0.898","1.219","1.219","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022342","11.347","0.002","7.126","0.002","21.266","0.003","90","0","90","0","90","0","1719.5","0.6","22","","22","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H12 F3 N S -","- C13 H8 F2.5 N0.5 S0.5 -","- C52 H32 F10 N2 S2 -","4","0.5","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","0.71069","MoKα","","0.1545","0.0517","","0.1421","0.1138","","","","0.855","1.159","1.159","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022343","10.708","0.003","17.02","0.004","9.897","0.002","90","0","114.51","0.05","90","0","1641.2","1","22","","22","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl N S -","- C21 H12 Cl N S -","- C84 H48 Cl4 N4 S4 -","4","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.2171","0.0415","","0.2738","0.0672","","","","0.722","0.99","0.99","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022344","6.976","0.001","21.822","0.004","10.444","0.002","90","0","92.7","0.06","90","0","1588.1","0.5","22","","22","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 Cl N S -","- C21 H12 Cl N S -","- C84 H48 Cl4 N4 S4 -","4","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.1311","0.0882","","0.3317","0.2502","","","","1.035","1.164","1.164","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022345","10.788","0.002","9.72","0.002","9.567","0.001","113.26","0.03","105.57","0.04","102.19","0.03","828.9","0.5","22","","22","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O S -","- C22 H15 N O S -","- C44 H30 N2 O2 S2 -","2","1","","Luisa Benati; Gianluca Calestani; Rino Leardini; Matteo Minozzi; Daniele Nanni; Piero Spagnolo; Samantha Strazzari; Giuseppe Zanardi","Cascade Radical Reactions via α-(Arylsulfanyl)imidoyl Radicals: Competitive [4 + 2] and [4 + 1] Radical Annulations of Alkynyl Isothiocyanates with Aryl Radicals","Journal of Organic Chemistry","2003","68","","3454","3464","10.1021/jo0267504","","","1.54178","CuKα","","0.1074","0.0747","","0.2366","0.2045","","","","1.067","1.181","1.181","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022346","13.8549","0.0002","6.3197","0.0001","16.6171","0.0004","90","","96.118","0.001","90","","1446.69","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","1-N-ethyl-2-phenylthiocarbamoyl-2-methyl-piperazin-3-one","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","","Barbara Zaleska; Robert Socha; Marcin Karelus; Edward Szneler; Jacek Grochowski; Paweł Serda","Synthesis of 1,4-Diazines by Ring Expansion of 1,3-Diazines","Journal of Organic Chemistry","2003","68","","2334","2337","10.1021/jo026756t","","","0.71073","MoKα","","0.0589","0.0441","","","0.1163","0.1272","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022347","9.47","0.0002","9.719","0.0002","12.969","0.0003","71.233","0.001","75.719","0.001","68.799","0.001","1042.15","0.04","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","S-(3-cyclohexenyl)-2-phenylthiocarbamoyl-2-methyl-trans-perhydroquinoxalin-3-one","","- C22 H29 N3 O S -","- C22 H29 N3 O S -","- C44 H58 N6 O2 S2 -","2","1","","Barbara Zaleska; Robert Socha; Marcin Karelus; Edward Szneler; Jacek Grochowski; Paweł Serda","Synthesis of 1,4-Diazines by Ring Expansion of 1,3-Diazines","Journal of Organic Chemistry","2003","68","","2334","2337","10.1021/jo026756t","","","0.7107","MoKα","","0.0733","0.0455","","","0.1026","0.1152","","","","","","1.037","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022348","11.099","0.001","15.508","0.002","16.21","0.002","91.344","0.004","100.149","0.004","92.319","0.004","2743","1","120","","120","","","","","","","","","5","P 1","P 1","1","","(2S,3R) Ethyl 2-( (diphenylmethylene)amino)-3-phenyl-3- (p-toluensulphonylamino) propanoate","","- C31 H30 N2 O4 S -","- C31 H30 N2 O4 S -","- C124 H120 N8 O16 S4 -","4","4","","Luca Bernardi; Aase S. Gothelf; Rita G. Hazell; Karl Anker Jørgensen","Catalytic Asymmetric Mannich Reactions of Glycine Derivatives with Imines. A New Approach to Optically Active α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2003","68","","2583","2591","10.1021/jo026766u","","","0.71073","MoKα","","","0.071","","","","0.107","","","","","","2.13","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022349","22.1299","0.0013","8.6449","0.0007","17.6928","0.001","90","","121.222","0.005","90","","2894.6","0.4","173","","173","1","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 N5 -","- C37 H29 N5 -","- C148 H116 N20 -","4","0.5","","Valery N. Kozhevnikov; Dmitry N. Kozhevnikov; Tatiana V. Nikitina; Vladimir L. Rusinov; Oleg N. Chupakhin; Manfred Zabel; Burkhard König","A Versatile Strategy for the Synthesis of Functionalized 2,2'-Bi- and 2,2':6',2' '-Terpyridines via Their 1,2,4-Triazine Analogues","Journal of Organic Chemistry","2003","68","","2882","2888","10.1021/jo0267955","","","0.71073","MoKα","","0.0586","0.0385","","","0.0907","0.0973","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022350","21.617","0.001","15.6187","0.0009","20.908","0.002","90","","100.26","0.009","90","","6946.4","0.8","223.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 Cl2 O4 S4 -","- C70.4 H74 Cl3.2 O4 S4 -","- C281.6 H296 Cl12.8 O16 S16 -","4","0.5","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0539","","","","0.0642","","","","","","1.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022351","15.8724","0.0006","15.8724","0.0006","12.5804","0.0009","90","","90","","90","","3169.4","0.3","150.2","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C70 H77 N O9 S4 -","- C70 H64 N O8.5 S4 -","- C140 H128 N2 O17 S8 -","2","0.25","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0618","","","","0.073","","","","","","1.555","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022352","13.6278","0.0007","14.325","0.001","18.048","0.001","84.004","0.003","78.644","0.003","68.0693","0.0009","3202.7","0.4","223.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H73 Cl3 O6 S4 -","- C69 H72 Cl3 O6 S4 -","- C138 H144 Cl6 O12 S8 -","2","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0626","","","","0.0672","","","","","","2.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022353","19.65","0.002","13.89","0.0006","33.63","0.0006","90","","91.58","0.0003","90","","9175.4","0.8","230.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 O10 S4 -","- C44.5 H60.3 O8.8 S4 -","- C356 H482.4 O70.4 S32 -","8","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0454","","","","0.0496","","","","","","1.363","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022354","11.43","0.002","14.94","0.003","16.12","0.005","90.73","0.008","105.34","0.003","99.45","0.003","2640.18","","230.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 Cl3 O8 S4 -","- C45 H57 Cl3 O8 S4 -","- C90 H114 Cl6 O16 S8 -","2","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0671","","","","0.0869","","","","","","2.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022355","11.2043","0.0006","15.275","0.002","14.901","0.001","90","","96.4206","0.0009","90","","2534.3","0.4","230.2","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H60 O9 S4 -","- C43.4 H52.6 O9.5 S4 -","- C86.8 H105.2 O19 S8 -","2","0.5","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0601","","","","0.0754","","","","","","2.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022356","15.7107","0.0006","21.663","0.002","15.285","0.001","90","","102.772","0.0006","90","","5073.4","0.6","230.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Cl3 O8 S4 -","- C45 H47.1 Cl2.1 O8 S4 -","- C180 H188.4 Cl8.4 O32 S16 -","4","1","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0659","","","","0.0687","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022357","13.4385","","7.1053","","16.4827","","90","","107.8","","90","","1498.5","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 O6 S -","- C31 H48 O6 S -","- C62 H96 O12 S2 -","2","1","","Andrés García-Granados; Pilar E. López; Enrique Melguizo; Juan N. Moliz; Andrés Parra; Yolanda Simeó; José A. Dobado","Epoxides, Cyclic Sulfites, and Sulfate from Natural Pentacyclic Triterpenoids: Theoretical Calculations and Chemical Transformations","Journal of Organic Chemistry","2003","68","","4833","4844","10.1021/jo026832s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022358","12.2443","0.0013","12.454","0.002","11.9541","0.0013","90","","90","","90","","1822.9","0.4","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H10 N O2 -","- C24 H10 N O2 -","- C96 H40 N4 O8 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.2089","0.1638","","","0.3901","0.4183","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022359","8.8628","0.0002","11.4131","0.0003","20.4548","0.0007","90","","93.2904","0.001","90","","2065.63","0.1","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1004","0.068","","","0.1927","0.2092","","","","","","1.382","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022360","17.986","0.002","13.832","0.002","11.967","0.002","90","","128.574","0.006","90","","2327.7","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C128 H92 N4 O8 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1827","0.1242","","","0.3322","0.3715","","","","","","1.274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022361","10.1343","0.0002","10.1351","0.0002","11.8738","0.0003","111.002","0.001","113.436","0.001","96.5529","0.0009","996.63","0.04","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.0798","0.0547","","","0.1307","0.1685","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022362","3.9442","0.0002","10.3945","0.0004","34.639","0.002","90","","91.587","0.001","90","","1419.6","0.1","298","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1871","0.1151","","","0.2906","0.3509","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022363","9.6439","0.0004","7.3388","0.0002","16.8992","0.0008","90","","90","","90","","1196.04","0.08","298","","","","","","","","","","Local laboratory","3","P n m a","-P 2ac 2n","62","","","","- C12 H17 Br -","- C12 H17 Br -","- C48 H68 Br4 -","4","0.5","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.055","0.0427","","","0.1137","0.1247","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022364","12.1636","0.0004","17.4913","0.0006","11.8633","0.0003","90","","110.623","0.0013","90","","2362.26","0.13","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C104 H108 N4 O16 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.1397","0.0788","","","0.1896","0.2252","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022365","10.9431","0.0003","11.7705","0.0003","12.3238","0.0003","99.2171","0.0014","92.7484","0.0013","115.082","0.0011","1407.17","0.06","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.0788","0.0498","","","0.1119","0.1282","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022366","10.4907","0.0007","10.9269","0.0007","14.5995","0.0012","90","","120","180","90","","1431.8","0.2","298","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Jason E. Field; Thomas J. Hill; D. Venkataraman","Bridged Triarylamines: A New Class of Heterohelicenes","Journal of Organic Chemistry","2003","68","","6071","6078","10.1021/jo026883p","","","0.71073","MoKα","","0.0985","0.064","","","0.1743","0.2057","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022367","10.87","0.002","20.407","0.003","28.548","0.005","90","","90","0.004","90","","6333","1.9","123","2","123","2","","","","","","","chemical synthesis","6","C 1 2/c 1","-C 2yc","15","","2,3-bis(2,4,6-trimethyl)phenylbicyclo(2.2)octa-2-ene/ nitrosonium hexafluoroantimonate molecular complex 14 dichloromethane disolvate","","- C28 H36 Cl28 N4 O4 Sb4 -","- C28 H36 Cl28 N4 O4 Sb4 -","- C112 H144 Cl112 N16 O16 Sb16 -","4","0.5","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.1081","0.0716","","0.2094","0.182","","","","1.049","1.157","1.157","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022368","10.8602","0.0005","13.1116","0.0006","14.8897","0.0006","77.221","0.001","83.298","0.001","81.585","0.001","2037.6","0.2","123","2","123","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","","9,10-Ethano-9,10-dihydro-1,2,3,4,5,6,7,8-octahydroanthracene/ nitrosonium hexachloroantimonate molecular complex 12, dichloromethane monosolvate","","- C25 H32 Cl14 N2 O2 Sb2 -","- C25 H32 Cl14 N2 O2 Sb2 -","- C50 H64 Cl28 N4 O4 Sb4 -","2","1","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.0753","0.0397","","0.1088","0.0902","","","","0.989","1.044","1.044","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022369","36.694","0.004","11.8971","0.0012","21.742","0.002","90","","124.507","0.002","90","","7821.7","1.3","93","2","93","2","","","","","","","chemical synthesis","6","C 1 2/c 1","-C 2yc","15","","1,2,3,4-Tetraphenyl-5,7;6,8-bis(dimethylene)bicyclo(2.2)octa-2-ene/ nitrosonium hexachloroantimonate molecular complex 11, dichloromethane solvate","","- C37.5 H35 Cl9 N O Sb -","- C37.5 H35 Cl9 N O Sb -","- C300 H280 Cl72 N8 O8 Sb8 -","8","1","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.0944","0.0523","","0.1609","0.1219","","","","1.121","1.126","1.126","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022370","19.4836","0.0008","13.9952","0.0006","32.7838","0.0014","90","","98.837","0.001","90","","8833.3","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-1,2-Diethyl-1,2-bis(pentamethylphenyl)ethylene/ nitrosonium hexachloroantimonate molecular complex 12, dichloromethane hemisolvate","","- C28.5 H41 Cl13 N2 O2 Sb2 -","- C28.5 H41 Cl13 N2 O2 Sb2 -","- C228 H328 Cl104 N16 O16 Sb16 -","8","2","","S. V. Rosokha; S. V. Lindeman; R. Rathore; J. K. Kochi","Molecular Recognition of NO/NO^+^ via Multicenter (Charge-Transfer) Binding to Bridged Diarene Donors. Effect of Structure on the Optical Transitions and Complexation Thermodynamics","Journal of Organic Chemistry","2003","68","","3947","3957","10.1021/jo030015q","","","0.71073","MoKα","","0.1215","0.0486","","0.1385","0.0995","","","","1.011","1.019","1.019","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022371","12.2964","0.0012","18.7203","0.0018","20.581","0.002","90","","90","","90","","4737.6","0.8","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H67 N4 O11 P Si2 -","- C39.2 H67.6 N4 O10.8 P Si2 -","- C156.8 H270.4 N16 O43.2 P4 Si8 -","4","1","","Xuemei Chen; David F. Wiemer","Synthesis of 5'-Amino-5'-phosphonate Analogues of Pyrimidine Nucleoside Monophosphates","Journal of Organic Chemistry","2003","68","","6108","6114","10.1021/jo030050x","","","0.71073","MoKα","","0.099","0.0605","","","0.1169","0.1338","","","","","","1.064","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022372","16.902","0.002","15.406","0.002","18.03","0.002","90","","90","","90","","4695.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 Co2 O7 -","- C24 H20 Co2 O7 -","- C192 H160 Co16 O56 -","8","2","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.1268","0.0474","","","0.0814","0.0976","","","","","","0.789","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022373","16.4131","0.0019","13.057","0.0015","23.774","0.003","90","","110.138","0.002","90","","4783.4","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co2 O7 -","- C24 H22 Co2 O7 -","- C192 H176 Co16 O56 -","8","2","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.0833","0.047","","","0.1025","0.116","","","","","","0.918","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022374","32.378","0.009","15.971","0.004","9.371","0.003","90","","90","","90","","4846","2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 Co2 O7 -","- C24 H22 Co2 O7 -","- C192 H176 Co16 O56 -","8","1","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.0739","0.0468","","","0.1159","0.1291","","","","","","1.035","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022375","8.6166","0.0016","11.364","0.002","11.585","0.002","94.123","0.003","96.558","0.004","92.581","0.004","1122.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 Co2 O7 -","- C23 H20 Co2 O7 -","- C46 H40 Co4 O14 -","2","1","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.0711","0.0618","","","0.1949","0.1987","","","","","","1.211","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022376","9.2085","0.0017","13.517","0.003","15.355","0.004","90","","90","","90","","1911.3","0.7","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O -","- C24 H24 O -","- C96 H96 O4 -","4","1","","Ming-Shyong Yang; Shyue-Sheng Lu; Chitneni Prasad Rao; Yow-Fu Tsai; Chun-Chen Liao","Photochemistry of Bicyclo[2.2.2]oct-7-ene-2,5-diones and the Corresponding 5-Hydroxyimino and 5-Methylene Derivatives","Journal of Organic Chemistry","2003","68","","6543","6553","10.1021/jo0301191","","","1.5418","CuKα","","0.0544","0.0496","","","0.1446","0.1518","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022377","8.115","0.0003","9.3","0.0004","9.695","0.0004","74.074","0.002","85.712","0.003","85.968","0.003","700.68","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","spiro","2,5-diphenyl-7methyl-1,5,6-triazaspiro[2,4]hepta-1,6-dien-4-one","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C34 H26 N6 O2 -","2","1","","Wolfgang Holzer; Rosa M. Claramunt; Marta Pérez-Torralba; Davide Guggi; Thomas H. Brehmer","Spiro-fused (C2)-Azirino-(C4)-Pyrazolones - a New Heterocyclic System, Synthesis, Spectroscopic Studies and X-Ray Structure Analysis","Journal of Organic Chemistry","2003","68","","7943","7950","10.1021/jo030131t","","","0.71073","MoKα","","0.0755","0.0437","","","0.1008","0.1137","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022378","4.825","0.0002","10.766","0.0004","29.502","0.0011","90","","90","","90","","1532.51","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro","1-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2,4]hepta-1,6-dien-4-one","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Wolfgang Holzer; Rosa M. Claramunt; Marta Pérez-Torralba; Davide Guggi; Thomas H. Brehmer","Spiro-fused (C2)-Azirino-(C4)-Pyrazolones - a New Heterocyclic System, Synthesis, Spectroscopic Studies and X-Ray Structure Analysis","Journal of Organic Chemistry","2003","68","","7943","7950","10.1021/jo030131t","","","0.7107","MoKα","","0.0567","0.0404","","","0.0781","0.0832","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022379","9.0344","0.0018","16.368","0.003","21.868","0.004","90","","100.84","0.03","90","","3176","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl2 N O10 S2 -","- C32 H26 Cl2 N O10 S2 -","- C128 H104 Cl8 N4 O40 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0951","0.0512","","","0.151","0.1931","","","","","","0.788","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022380","16.803","0.003","13.651","0.003","12.88","0.003","90","","105.57","0.03","90","","2846","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cl1.97 O9.89 S2 -","- C29 H24 Cl1.982 O9.928 S2 -","- C116 H96 Cl7.928 O39.712 S8 -","4","0.5","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0502","0.0386","","","0.1118","0.12","","","","","","1.113","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022381","14.198","0.003","13.998","0.003","15.977","0.003","90","","108","0.03","90","","3019.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl2 O10 S2 -","- C31 H28 Cl2 O10 S2 -","- C124 H112 Cl8 O40 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0915","0.0766","","","0.2275","0.2449","","","","","","1.09","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022382","9.3351","0.0019","16.983","0.003","21.505","0.004","90","","99.85","0.03","90","","3359.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl2 N O10.31 S2 -","- C34 H31 Cl1.997 N O10.305 S2 -","- C136 H124 Cl7.988 N4 O41.22 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0858","0.0519","","","0.1389","0.1562","","","","","","0.97","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022383","14.216","0.002","15.657","0.002","20.419","0.003","90","","90","","90","","4545","1.1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 N O8 S2 -","- C18 H19 Cl2 N O8 S2 -","- C144 H152 Cl16 N8 O64 S16 -","8","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1565","0.1058","","","0.3031","0.3543","","","","","","1.131","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022384","9.7296","0.0011","22.347","0.002","10.4119","0.0011","90","","99.92","0.002","90","","2230","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl2 O8 S2 -","- C18 H20 Cl2 O8 S2 -","- C72 H80 Cl8 O32 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0883","0.0717","","","0.2447","0.2595","","","","","","1.16","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022385","9.431","0.003","16.61","0.005","16.074","0.004","90","","92.771","0.006","90","","2515","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 O8 S2 -","- C22 H28 Cl2 O8 S2 -","- C88 H112 Cl8 O32 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1279","0.078","","","0.2177","0.2448","","","","","","1.008","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022386","8.744","0.003","9.346","0.003","15.34","0.006","88.599","0.006","85.784","0.006","89.797","0.007","1249.9","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cl2 O8 S2 -","- C21.24 H26.1 Cl2 O8 S2 -","- C42.48 H52.2 Cl4 O16 S4 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1444","0.1224","","","0.3502","0.3643","","","","","","1.073","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022387","8.525","0.0017","9.498","0.0019","10.89","0.002","100.57","0.03","90.37","0.03","95.32","0.03","862.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cl O5 S -","- C18 H17 Cl0.999 O4.996 S -","- C36 H34 Cl1.998 O9.992 S2 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1194","0.0789","","","0.2101","0.2331","","","","","","1.086","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022388","7.48","0.0015","10.651","0.002","12.722","0.003","66.52","0.03","83.04","0.03","77.92","0.03","908.2","0.3","318","2","318","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl O5 S -","- C19 H19 Cl O5 S -","- C38 H38 Cl2 O10 S2 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0919","0.0498","","","0.1268","0.1427","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022389","11.58","0.002","13.189","0.003","13.743","0.003","90","","112.42","0.03","90","","1940.3","0.7","318","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl O5 S -","- C20 H18 Cl O5 S -","- C80 H72 Cl4 O20 S4 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0852","0.0666","","","0.1702","0.1834","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022390","7.6869","0.0011","11.4845","0.0016","12.1644","0.0017","69.264","0.002","85.923","0.002","80.198","0.002","989.6","0.2","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl N O4 S2 -","- C18 H18 Cl N O4 S2 -","- C36 H36 Cl2 N2 O8 S4 -","2","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.0731","0.0618","","","0.1799","0.1907","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022391","8.781","0.002","10.434","0.002","19.438","0.005","90","","98.524","0.005","90","","1761.4","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl O4 S2 -","- C17 H17 Cl O4 S2 -","- C68 H68 Cl4 O16 S8 -","4","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1625","0.0491","","","0.1006","0.1247","","","","","","0.77","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022392","7.073","0.006","15.128","0.004","20.629","0.002","108.14","0.02","90.11","0.03","116.72","0.03","1847","2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","2","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","1.5418","CuKα","","0.0597","0.0597","","0.1078","","0.1078","","","1.997","","","1.997","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022393","7.3176","0.0007","12.22","0.002","21.946","0.003","96.27","0.01","95.08","0.01","92.77","0.01","1939.7","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H36 O4 -","- C21 H36 O4 -","- C84 H144 O16 -","4","2","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","1.5418","CuKα","","0.0705","0.0705","","0.1114","","0.1114","","","1.918","","","1.918","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022394","10.319","0.003","12.142","0.006","14.861","0.005","90","","90","","90","","1862","1","273.2","","273.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","0.7107","MoKα","","0.0476","0.0476","","0.056","","0.056","","","1.611","","","1.611","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022395","11.691","0.003","11.75","0.002","12.767","0.003","90","","90","","90","","1753.8","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","1.5418","CuKα","","0.0644","0.0644","","0.1023","","0.1023","","","1.992","","","1.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022396","17.92","0.001","7.3606","0.0005","17.285","0.001","90","","115.6","0.2","90","","2057","2","273.2","","273.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19.35 H29.7 Cl0.7 O5.5 -","- C19.175 H29.7 Cl0.7 O5.25 -","- C76.7 H118.8 Cl2.8 O21 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","0.7107","MoKα","","0.0875","0.0875","","0.1156","","0.1156","","","1.977","","","1.977","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022397","9.997","0.004","26.118","0.005","12.236","0.009","90","","101.78","0.05","90","","3127","2","293.2","","293.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","?","- C30 H27 O6 -","- C120 H108 O24 -","4","1","","Samah Simaan; Jay S. Siegel; Silvio E. Biali","Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and 1,3,5-Triethylbenzene","Journal of Organic Chemistry","2003","68","","3699","3701","10.1021/jo034016u","","","1.5418","CuKalpha","","","0.068","","","0.081","","","","","4.08","4.08","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022398","18.555","0.0005","18.555","","15.1127","0.0007","90","","90","","120","","4506","0.2","293.2","","293.2","","","","","","","","","3","R -3 :H","-R 3","148","","","","?","- C36 H42 O3 -","- C216 H252 O18 -","6","0.333333","","Samah Simaan; Jay S. Siegel; Silvio E. Biali","Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and 1,3,5-Triethylbenzene","Journal of Organic Chemistry","2003","68","","3699","3701","10.1021/jo034016u","","","0.7107","MoKalpha","","","0.048","","","0.068","","","","","1.38","1.38","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022399","8.7775","0.0007","11.4944","0.0015","11.6367","0.0012","77.587","0.009","71.224","0.007","82.623","0.009","1083.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F3 N2 O6 -","- C22 H21 F3 N2 O6 -","- C44 H42 F6 N4 O12 -","2","1","","Françisco M. Raymo; Silvia Giordani; Andrew J. P. White; David J. Williams","Digital Processing with a Three-State Molecular Switch","Journal of Organic Chemistry","2003","68","","4158","4169","10.1021/jo0340455","","","0.71073","MoKα","","0.0658","0.0479","","0.1357","0.1204","","","","1.061","1.111","1.111","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022400","11.3788","0.0004","14.1391","0.0006","28.7671","0.0014","90","","93.657","0.006","90","","4618.8","0.3","183","2","183","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24.5 H31 N2 O4.5 -","- C20 H19.85 N2 O4 -","- C160 H158.8 N16 O32 -","8","1","","Françisco M. Raymo; Silvia Giordani; Andrew J. P. White; David J. Williams","Digital Processing with a Three-State Molecular Switch","Journal of Organic Chemistry","2003","68","","4158","4169","10.1021/jo0340455","","","1.54178","CuKα","","0.075","0.0522","","0.1512","0.1384","","","","1.007","1.134","1.134","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022401","9.7541","0.0005","15.9433","0.0008","16.9386","0.0008","90","","94.818","0.001","90","","2624.9","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(R*Fc)-1-(tert-Butylsulfenyl)-2-(diphenylphosphino) ferrocenepalladium(II) chloride","","- C26 H27 Cl2 Fe P Pd S -","- C26 H27 Cl2 Fe P Pd S -","- C104 H108 Cl8 Fe4 P4 Pd4 S4 -","4","1","","Olga García Mancheño; Julián Priego; Silvia Cabrera; Ramón Gómez Arrayás; Tomás Llamas; Juan Carlos Carretero","1-Phosphino-2-sulfenylferrocenes as Planar Chiral Ligands in Enantioselective Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2003","68","","3679","3686","10.1021/jo0340657","","","0.71073","MoKα","","0.0805","0.0515","","","0.1076","0.118","","","","","","1.067","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022402","13.089","0.002","9.3002","0.0014","13.861","0.002","90","","108.971","0.003","90","","1595.7","0.4","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N S2 -","- C16 H21 N S2 -","- C64 H84 N4 S8 -","4","1","","Katsu Ogawa; Seth C. Rasmussen","A Simple and Efficient Route to N-Functionalized Dithieno[3,2-b:2',3'-d]pyrroles: Fused-Ring Building Blocks for New Conjugated Polymeric Systems","Journal of Organic Chemistry","2003","68","","2921","2928","10.1021/jo034078k","","","0.71073","MoKα","","0.1676","0.047","","","0.1034","0.1355","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022403","12.9396","0.0012","7.9145","0.0007","35.458","0.003","90","","96.465","0.002","90","","3608.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N S2 -","- C20 H21 N S2 -","- C160 H168 N8 S16 -","8","2","","Katsu Ogawa; Seth C. Rasmussen","A Simple and Efficient Route to N-Functionalized Dithieno[3,2-b:2',3'-d]pyrroles: Fused-Ring Building Blocks for New Conjugated Polymeric Systems","Journal of Organic Chemistry","2003","68","","2921","2928","10.1021/jo034078k","","","0.71073","MoKα","","0.1612","0.0453","","","0.1048","0.1313","","","","","","0.805","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022404","12.802","0.0007","11.5375","0.0007","17.6364","0.001","90","","110.774","0.001","90","","2435.6","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N S2 -","- C12 H13 N S2 -","- C96 H104 N8 S16 -","8","2","","Katsu Ogawa; Seth C. Rasmussen","A Simple and Efficient Route to N-Functionalized Dithieno[3,2-b:2',3'-d]pyrroles: Fused-Ring Building Blocks for New Conjugated Polymeric Systems","Journal of Organic Chemistry","2003","68","","2921","2928","10.1021/jo034078k","","","0.71073","MoKα","","0.0973","0.0588","","","0.1765","0.1919","","","","","","1.143","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022405","14.5472","0.0015","6.0792","0.0006","20.508","0.002","90","","92.548","0.002","90","","1811.8","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","2","","Xiao-Long Qiu; Feng-Ling Qing","Synthesis of cis-4-Trifluoromethyl- and cis-4-Difluoromethyl‒pyroglutamic Acids","Journal of Organic Chemistry","2003","68","","3614","3617","10.1021/jo034098m","","","0.71073","MoKα","","0.1592","0.0389","","","0.0615","0.0822","","","","","","0.648","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022406","10.2553","0.001","12.0818","0.0012","15.6891","0.0015","90","","90","","90","","1943.9","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C72 H132 N4 O16 -","4","1","","Neal A. Yakelis; William R. Roush","Synthesis of the C(21)-C(26) Fragment of Superstolide A: Concerning the Stereochemistry of (E)-Crotylboration Reactions of Alaninal Derivatives","Journal of Organic Chemistry","2003","68","","3838","3843","10.1021/jo0341012","","","0.71073","MoKα","","0.0362","0.0323","","","0.0788","0.0816","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022407","11.7459","0.0009","15.2229","0.0012","12.689","0.001","90","","96.758","0.004","90","","2253.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C88 H120 N8 O24 -","4","1","","Neal A. Yakelis; William R. Roush","Synthesis of the C(21)-C(26) Fragment of Superstolide A: Concerning the Stereochemistry of (E)-Crotylboration Reactions of Alaninal Derivatives","Journal of Organic Chemistry","2003","68","","3838","3843","10.1021/jo0341012","","","0.71073","MoKα","","0.1268","0.0493","","","0.0959","0.1089","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022408","10.409","0.002","16.274","0.002","12.299","0.003","90","","101.256","0.009","90","","2043.3","0.6","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","trans,trans-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C104 H80 N16 -","4","2","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","1.5418","CuKα","","","0.0808","","","","0.2031","","","","","","1.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022409","11.096","0.003","40.91","0.02","9.121","0.002","90","","90","","90","","4140","2","243.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cis,trans-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","2","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.7107","MoKα","","","0.0436","","","","0.1541","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022410","17.009","0.002","27.519","0.003","8.5","0.002","90","","90","","90","","3978.5","1","243.2","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","cis,cis-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","0.25","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.7107","MoKα","","","0.0383","","","","0.1206","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022411","25.217","0.003","25.217","0.003","9.38","0.003","90","","90","","120","","5166","2","223","1","223","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","trans,trans,trans-[1.1.1](3,3')-Azobenzenophane","","","- C40 H31 Cl3 N6 -","- C40 H31 Cl3 N6 -","- C240 H186 Cl18 N36 -","6","0.333333","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.71069","MoKα","","0.1478","0.0826","","","0.2114","0.2378","","","","","","1.446","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022412","26.833","0.006","6.391","0.001","28.216","0.005","90","","111.89","0.02","90","","4489","1","243.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","trans,trans,trans,trans-[1.1.1.1](3,3')-Azobenzenophane","","","- C53 H42 Cl2 N8 -","- C53 H42 Cl2 N8 -","- C212 H168 Cl8 N32 -","4","0.5","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.7107","MoKα","","","0.0533","","","","0.1674","","","","","","1.6","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022413","9.6737","0.0019","11.448","0.005","10.401","0.002","90","","109.83","0.02","90","","1083.5","0.6","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Camphanic acid 3-Benzyl-2-oxo-hexahydro-cyclopentaoxazol-4-yl ester","","- C23 H27 N O6 -","- C23 H27 N O6 -","- C46 H54 N2 O12 -","2","1","","Dae-Ro Ahn; Markus Mosimann; Christian J. Leumann","Synthesis of Cyclopentane Amide DNA (cpa-DNA) and Its Pairing Properties","Journal of Organic Chemistry","2003","68","","7693","7699","10.1021/jo034143q","","","1.54186","CuKα","","0.0354","0.0349","","","0.1039","0.1049","","","","","","0.785","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022414","22.502","0.004","8.811","0.001","10.208","0.001","90","","92.73","0.01","90","","2021.6","0.5","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S2 Se4 -","- C14 H16 O4 S2 Se4 -","- C56 H64 O16 S8 Se16 -","4","1","","Kazuo Takimiya; Yoshiro Kataoka; Naoto Niihara; Yoshio Aso; Tetsuo Otsubo","A General Method for the Synthesis of Alkylenedithio- and Bis(alkylenedithio)tetraselenafulvalenes","Journal of Organic Chemistry","2003","68","","5217","5224","10.1021/jo034145a","","","0.7107","MoKα","","","0.0465","","","","0.0698","","","","","","1.858","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022415","10.865","0.006","11.869","0.007","15.773","0.009","87.769","0.011","89.093","0.011","68.853","0.01","1895.7","1.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","15","","","- C52 H38 N2 -","- C52 H38 N2 -","- C104 H76 N4 -","2","1","","Howard E. Zimmerman; Tibor Novak","Regioselectivity of the Tri-π-methane Rearrangement: Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2003","68","","5056","5066","10.1021/jo034189j","","","0.71073","MoKα","","0.068","0.0471","","","0.1273","0.1417","","","","","","0.842","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022416","10.4077","0.0009","11.081","0.001","14.0291","0.0012","102.376","0.002","106.899","0.002","97.251","0.002","1481","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","21a","","","- C40 H36 -","- C40 H36 -","- C80 H72 -","2","1","","Howard E. Zimmerman; Tibor Novak","Regioselectivity of the Tri-π-methane Rearrangement: Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2003","68","","5056","5066","10.1021/jo034189j","","","0.71073","MoKα","","0.0498","0.0398","","","0.1013","0.1071","","","","","","1.052","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022417","21.146","0.003","17.623","0.003","10.657","0.002","90","","90","","90","","3971.4","1.2","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","25","","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Howard E. Zimmerman; Tibor Novak","Regioselectivity of the Tri-π-methane Rearrangement: Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2003","68","","5056","5066","10.1021/jo034189j","","","0.71073","MoKα","","0.0634","0.0539","","","0.1365","0.1431","","","","","","1.054","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022418","11.4252","0.0004","5.7427","0.0002","19.619","0.0006","90","","102.649","0.002","90","","1255.99","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F3 N O5 S -","- C9 H10 F3 N O5 S -","- C36 H40 F12 N4 O20 S4 -","4","1","","Albert Padwa; Paitoon Rashatasakhon; Mickea Rose","Triflic Anhydride Mediated Cyclization of 5-Hydroxy-Substituted Pyrrolidinones for the Preparation of α-Trifluoromethylsulfonamido Furans","Journal of Organic Chemistry","2003","68","","5139","5146","10.1021/jo0341970","","","1.54178","CuKα","","0.0457","0.0419","","","0.176","0.1967","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022419","7.517","0.001","15.096","0.002","20.836","0.002","90","","90","","90","","2364.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","kp118","","- C28 H22 Cl N3 O2 S -","- C28 H22 Cl N3 O2 S -","- C112 H88 Cl4 N12 O8 S4 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","1.54184","CUkα","","0.0452","0.0429","","","0.1111","0.1127","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022420","8.069","0.001","9.488","0.001","16.125","0.001","90","","103.17","0.01","90","","1202","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","kp137","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","0.71073","MOkα","","0.1124","0.0511","","","0.1407","0.1542","","","","","","0.945","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022421","11.913","0.001","13.827","0.001","8.3","0.001","90","","90.51","0.01","90","","1367.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","kp158","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C60 H44 Cl4 N16 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","1.54184","CUkα","","0.0638","0.0502","","","0.146","0.1536","","","","","","1.123","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022422","10.904","0.001","18.298","0.001","10.284","0.001","90","","99.305","0.008","90","","2024.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","kp83","","- C21 H14 Cl2 N4 S -","- C21 H14 Cl2 N4 S -","- C84 H56 Cl8 N16 S4 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","1.54184","CUkα","","0.067","0.051","","","0.1515","0.1596","","","","","","1.066","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022423","8.7653","0.0018","9.2536","0.0019","17.751","0.004","90","","93.18","0.03","90","","1437.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl syn-2-hydroxy-2-phenyl-2-(cyclohex-5-en-1-on-2-yl)ethanoate","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Deevi Basavaiah; Bandaru Sreenivasulu; Anumolu Jaganmohan Rao","Steric Factors Direct Baylis-Hillman and Aldol Reactions in Titanium Tetrachloride Mediated Coupling between α-Keto Esters and Cyclohex-2-enone Derivatives","Journal of Organic Chemistry","2003","68","","5983","5991","10.1021/jo0342424","","","0.71073","MoKα","","0.1245","0.0605","","","0.1783","0.2601","","","","","","1.051","","","","has coordinates","278324","2022-10-03","14:41:54",""
"4022424","11.4023","0.001","11.8131","0.001","14.3594","0.0012","90","","91.307","0.002","90","","1933.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O2 S -","- C21 H23 N O2 S -","- C84 H92 N4 O8 S4 -","4","1","","Shengming Ma; Fei Yu; Wenzhong Gao","Studies on Pd(II)-Catalyzed Coupling-Cyclization of α- or β-Amino Allenes with Allylic Halides","Journal of Organic Chemistry","2003","68","","5943","5949","10.1021/jo0342469","","","0.71073","MoKα","","0.0708","0.0484","","","0.1188","0.1276","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022425","19.0973","0.0016","7.8121","0.0006","13.1877","0.0011","90","","91.457","0.002","90","","1966.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O4 S -","- C19 H26 N2 O4 S -","- C76 H104 N8 O16 S4 -","4","1","","Shengming Ma; Fei Yu; Wenzhong Gao","Studies on Pd(II)-Catalyzed Coupling-Cyclization of α- or β-Amino Allenes with Allylic Halides","Journal of Organic Chemistry","2003","68","","5943","5949","10.1021/jo0342469","","","0.71073","MoKα","","0.1208","0.0608","","","0.1249","0.1589","","","","","","0.829","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022426","19.664","0.004","13.18","0.003","16.273","0.003","90","","114.44","0.03","90","","3839.5","1.3","109","2","109","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N3 O3 S -","- C20 H18 F3 N3 O3 S -","- C160 H144 F24 N24 O24 S8 -","8","2","","Andrei N. Vedernikov; Maren Pink; Kenneth G. Caulton","Design and Synthesis of Tridentate Facially Chelating Ligands of the [2.n.1]-(2,6)-Pyridinophane Family","Journal of Organic Chemistry","2003","68","","4806","4814","10.1021/jo034268v","","","0.71073","MoKα","","0.0592","0.0451","","","0.1129","0.1244","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022427","8.6423","0.0003","10.9307","0.0003","14.1882","0.0004","67.711","0.001","81.313","0.001","83.919","0.001","1224.2","0.06","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 F6 N3 O6 S2 -","- C21 H19 F6 N3 O6 S2 -","- C42 H38 F12 N6 O12 S4 -","2","1","","Andrei N. Vedernikov; Maren Pink; Kenneth G. Caulton","Design and Synthesis of Tridentate Facially Chelating Ligands of the [2.n.1]-(2,6)-Pyridinophane Family","Journal of Organic Chemistry","2003","68","","4806","4814","10.1021/jo034268v","","","0.71073","MoKα","","0.0671","0.0414","","","0.0972","0.1122","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022428","10.7329","0.0007","11.2582","0.0008","15.663","0.0008","90","","104.61","0.005","90","","1831.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.0447","0.0397","","","0.1038","0.1075","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022429","8.4121","0.0013","18.727","0.002","24.832","0.004","93.628","0.01","99.77","0.011","102.961","0.009","3735.9","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C168 H224 O40 -","8","4","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.5406","","","0.181","0.0874","","","0.1949","0.2434","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022430","11.2995","0.0001","6.891","0.0001","22.904","0.0003","90","","90.209","0.001","90","","1783.4","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0955","0.0574","","","0.1329","0.1498","","","","","","0.858","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022431","11.387","0.002","11.6075","0.0012","14.4155","0.0016","90","","108.103","0.012","90","","1811.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H104 O20 -","- C84 H104 O20 -","- C84 H104 O20 -","1","0.25","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0782","0.0581","","","0.1722","0.1962","","","","","","0.813","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022432","7.1492","0.0003","11.0375","0.0012","12.7736","0.0015","69.967","0.01","83.763","0.006","78.833","0.006","928.06","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C42 H52 O10 -","2","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0891","0.0526","","","0.125","0.1485","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022433","17.11","0.005","7.807","0.005","27.288","0.005","90","0.005","104.952","0.005","90","0.005","3522","3","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C152 H208 O40 -","8","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.1736","0.0666","","","0.183","0.2279","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022434","6.6967","0.0017","12.147","0.003","23.158","0.003","90","","90","","90","","1883.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.0552","0.0486","","","0.1252","0.1299","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022435","9.836","","15.162","","25.822","","90","","90","","90","","3851","","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C168 H224 O56 -","8","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.5406","","","0.156","0.0834","","","0.2403","0.3119","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022436","12.3574","0.0018","9.489","0.003","17.527","0.002","90","0.005","102.906","0.01","90","0.005","2003.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O7 -","- C21 H28 O8 -","- C84 H112 O32 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54178","CuKα","","0.0995","0.0755","","","0.2189","0.2379","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022437","22.957","0.004","12.498","0.002","10.851","0.002","90","","90","","90","","3113.4","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C128 H192 O24 -","8","1","","Yishu Du; Xiyan Lu","A Phosphine-Catalyzed [3+2] Cycloaddition Strategy Leading to the First Total Synthesis of (-)-Hinesol","Journal of Organic Chemistry","2003","68","","6463","6465","10.1021/jo034281f","","","0.71069","MoKα","","0.1395","0.0522","","","0.1358","0.1672","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022438","5.8209","0.0002","15.1688","0.0004","24.5767","0.0009","90","","90","","90","","2170","0.1","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N3 O6 -","- C19 H31 N3 O6 -","- C76 H124 N12 O24 -","4","1","","Alessandro Dondoni; Alessandro Massi; Erik Minghini; Simona Sabbatini; Valerio Bertolasi","Model Studies toward the Synthesis of Dihydropyrimidinyl and Pyridyl α-Amino Acids via Three-Component Biginelli and Hantzsch Cyclocondensations","Journal of Organic Chemistry","2003","68","","6172","6183","10.1021/jo0342830","","","0.7107","MoKα","","0.0531","0.0408","","","0.0951","0.1041","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022439","5.284","0.001","14.857","0.003","21.982","0.004","90","","90","","90","","1725.7","0.6","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Chloro-phenyl)-4-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxo-butyric acid methyl ester","","- C20 H15 Cl O6 -","- C20 H15 Cl O6 -","- C80 H60 Cl4 O24 -","4","1","","Nis Halland; Thomas Velgaard; Karl Anker Jørgensen","Direct Asymmetric Michael Reactions of Cyclic 1,3-Dicarbonyl Compounds and Enamines Catalyzed by Chiral Bisoxazoline-Copper(II) Complexes","Journal of Organic Chemistry","2003","68","","5067","5074","10.1021/jo0343026","","","0.71073","MoKα","","","0.046","","","","0.047","","","","","","1.14","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022440","19.884","0.0003","7.823","0.0002","23.582","0.0005","90","","148.659","0.001","90","","1907.96","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cr N O5 -","- C20 H13 Cr N O5 -","- C80 H52 Cr4 N4 O20 -","4","1","","Pedro J. Campos; Diego Sampedro; Miguel A. Rodríguez","Irradiation of Imine-Group VI Carbene Complexes in the Presence of Alkynes: A Theoretical and Experimental Study","Journal of Organic Chemistry","2003","68","","4674","4683","10.1021/jo0343073","","","0.7107","MoKα","","0.1363","0.0873","","","0.1713","0.227","","","","","","1.51","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022441","8.857","0.0003","8.856","0.0004","22.924","0.0013","89.427","0.0013","89.415","0.0014","62.973","0.003","1601.62","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H16 N O -","- C76 H64 N4 O4 -","4","2","","Pedro J. Campos; Diego Sampedro; Miguel A. Rodríguez","Irradiation of Imine-Group VI Carbene Complexes in the Presence of Alkynes: A Theoretical and Experimental Study","Journal of Organic Chemistry","2003","68","","4674","4683","10.1021/jo0343073","","","0.7107","MoKα","","0.1382","0.0828","","","0.2133","0.2703","","","","","","1.744","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022442","5.4594","0.0003","12.0514","0.0007","10.5212","0.0006","90","","102.393","0.005","90","","676.1","0.07","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-hydroxylamino-4,5-dihydroimidazolium-O-sulfonate","","- C3 H7 N3 O4 S -","- C3 H7 N3 O4 S -","- C12 H28 N12 O16 S4 -","4","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0271","0.026","","","0.0672","0.0682","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022443","6.6652","0.0005","8.1833","0.0008","11.246","0.0008","83.311","0.007","77.601","0.006","69.863","0.008","561.86","0.08","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","7-benzyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]thiadiazol-3-thione","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C22 H22 N6 S4 -","2","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0378","0.0329","","","0.0837","0.0875","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022444","22.7501","0.0013","6.1929","0.0004","15.6134","0.0009","90","","132.541","0.005","90","","1620.77","0.17","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8-dihydroimidazo[1,2-c][1,3,5]thiadiazine-2,4(6H)-dithione","","- C5 H5 N3 S3 -","- C5 H5 N3 S3 -","- C40 H40 N24 S24 -","8","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0453","0.0403","","","0.1053","0.1095","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022445","10.6922","0.0014","9.834","0.0013","10.9612","0.0014","90","","115.541","0.013","90","","1039.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,7-dihydro-3-spiro(4-methylcyclohexyl)-5H-imidazo[2,1-c][1,2,4]oxadiazole","","- C10 H17 N3 O -","- C10 H17 N3 O -","- C40 H68 N12 O4 -","4","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0537","0.0445","","","0.1123","0.12","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022446","9.9784","0.0004","16.5446","0.0006","13.1448","0.0006","90","","91.663","0.004","90","","2169.14","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenyl-2-phenylimino-8-(n-phenylthiocarbamoyl) -2,6,7,8-tetrahydroimidazo[1,2-a][1,3,5]triazin -4(3H)-thione","","- C24 H20 N6 S2 -","- C24 H20 N6 S2 -","- C96 H80 N24 S8 -","4","1","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","MoKα","","0.0494","0.0392","","","0.0947","0.1012","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022452","6.2662","0.0003","13.0714","0.0007","17.4538","0.0009","90","","90","","90","","1429.61","0.13","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","7-acetyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]thiadiazol-3-thione","","- C9 H8 N6 S5 -","- C9 H8 N6 S5 -","- C36 H32 N24 S20 -","4","0.5","","Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec","Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems","Journal of Organic Chemistry","2003","68","","4791","4796","10.1021/jo034309n","","","0.71073","","","0.0314","0.029","","","0.0705","0.0724","","","","","","1.109","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022453","3.929","","10.038","","11.006","","114.32","","92.99","","92.9","","393.8","","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","1","0.5","","Pierre Frère; Jean-Manuel Raimundo; Philippe Blanchard; Jacques Delaunay; Pascal Richomme; Jean-Louis Sauvajol; Jesus Orduna; Javier Garin; Jean Roncali","Effect of Local Molecular Structure on the Chain-Length Dependence of the Electronic Properties of Thiophene-Based π-Conjugated Systems","Journal of Organic Chemistry","2003","68","","7254","7265","10.1021/jo034319o","","x-ray","0.71073","MoKα","","","0.0451","","","","0.1145","","","","","","1.033","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022454","16.749","0.004","6.2476","0.0015","17.816","0.004","90","","106.363","0.005","90","","1788.8","0.7","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Jeffrey Marrero; Abimael D. Rodríguez; Peter Baran; Raphael G. Raptis","Isolation and Characterization of Kallosin A, a Novel Rearranged Pseudopterane Diterpenoid from the Caribbean Sea Plume Pseudopterogorgia kallos (Bielschowsky)","Journal of Organic Chemistry","2003","68","","4977","4979","10.1021/jo0343329","","","0.71073","MoKα","","0.1204","0.0534","","","0.1091","0.1339","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022455","9.883","0.0002","10.0326","0.0002","18.5657","0.0005","90","","113.833","0.0018","90","","1683.86","0.07","298","","","","","","","","","","DVA04057","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 P -","- C22 H17 P -","- C88 H68 P4 -","4","1","","Derek Van Allen; D. Venkataraman","Copper-Catalyzed Synthesis of Unsymmetrical Triarylphosphines","Journal of Organic Chemistry","2003","68","","4590","4593","10.1021/jo0343376","","","0.71073","MoKα","","0.0474","0.0373","","","0.0956","0.103","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022456","22.1341","0.0006","7.6802","0.0003","11.0101","0.0003","90","","107.876","0.002","90","","1781.3","0.1","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","1","","Richard S. Grainger; Richard B. Owoare; Patrizia Tisselli; Jonathan W. Steed","A Synthetic Alternative to the Type-II Intramolecular 4 + 3 Cycloaddition Reaction","Journal of Organic Chemistry","2003","68","","7899","7902","10.1021/jo034356f","","","0.71073","MoKα","","0.05","0.0397","","","0.0971","0.1031","","","","","","1.063","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022457","12.289","0.0006","13.448","0.0007","19.389","0.0011","90","","107.481","0.003","90","","3056.3","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 B F15 N O2 -","- C31 H21 B F15 N O2 -","- C124 H84 B4 F60 N4 O8 -","4","1","","Iain D. G. Watson; Andrei K. Yudin","Ring-Opening Reactions of Nonactivated Aziridines Catalyzed by Tris(pentafluorophenyl)borane","Journal of Organic Chemistry","2003","68","","5160","5167","10.1021/jo0343578","","","0.71073","MoKα","","0.103","0.0597","","","0.1373","0.16","","","","","","1.041","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022458","47.427","0.005","47.427","0.005","12.6667","0.0018","90","","90","","120","","24674","5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C57.56 H63 Cl0.67 N8 O16.22 -","- C57.5533 H62.9933 Cl0.67 N8 O16.22 -","- C1035.96 H1133.88 Cl12.06 N144 O291.96 -","18","1","","Christopher A. Burnett; Dariusz Witt; James C. Fettinger; Lyle Isaacs","Acyclic Congener of Cucurbituril: Synthesis and Recognition Properties","Journal of Organic Chemistry","2003","68","","6184","6191","10.1021/jo034399w","","","0.71073","MoKα","","0.0772","0.0529","","","0.1579","0.1739","","","","","","1.144","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022459","10.5291","0.0007","10.7853","0.0008","12.3102","0.0008","87.856","0.001","89.706","0.001","84.61","0.001","1390.78","0.17","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Cl2 N4 O8 -","- C26 H29 Cl2 N4 O8 -","- C52 H58 Cl4 N8 O16 -","2","1","","Christopher A. Burnett; Dariusz Witt; James C. Fettinger; Lyle Isaacs","Acyclic Congener of Cucurbituril: Synthesis and Recognition Properties","Journal of Organic Chemistry","2003","68","","6184","6191","10.1021/jo034399w","","","0.71073","MoKα","","0.0541","0.0444","","","0.1245","0.1309","","","","","","1.107","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022460","10.222","0.01","10.812","0.009","12.05","0.009","66.96","0.04","68.77","0.05","83.88","0.06","1141","1","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O -","- C29 H28 O -","- C58 H56 O2 -","2","1","","Yoshito Terao; Hiroyuki Wakui; Michiyo Nomoto; Tetsuya Satoh; Masahiro Miura; Masakatsu Nomura","Palladium-Catalyzed Arylation of α,α-Disubstituted Arylmethanols via Cleavage of a C-C or a C-H Bond To Give Biaryls","Journal of Organic Chemistry","2003","68","","5236","5243","10.1021/jo0344034","","","0.7107","MoKα","","","0.0795","","","","0.1859","","","","","","1.671","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022461","19.208","0.003","15.746","0.002","19.587","0.003","90","0.01","90","0.01","90","0.01","5924","1.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C67 H84 N4 O2 Ru -","- C67 H84 N4 O2 Ru -","- C268 H336 N16 O8 Ru4 -","4","1","","Jason A. Miller; Edward J. Hennessy; Will J. Marshall; Mark A. Scialdone; SonBinh T. Nguyen","trans-Cyclopropyl β-Amino Acid Derivatives via Asymmetric Cyclopropanation Using a (Salen)Ru(II) Catalyst","Journal of Organic Chemistry","2003","68","","7884","7886","10.1021/jo0344079","","","0.71073","MoKα","","0.0549","0.0404","","","0.1002","0.109","","","","","","1.035","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022462","6.985","0.0004","13.051","0.001","16.103","0.002","90","","90","","90","","1468","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O3 -","- C15 H23 O3 -","- C60 H92 O12 -","4","1","","Jean-Pierre Uttaro; Gérard Audran; Elie Palombo; Honoré Monti","First Enantioselective Synthesis and Absolute Stereochemistry Assignment of New Monocyclic Sesquiterpenes from Artemisia chamaemelifolia","Journal of Organic Chemistry","2003","68","","5407","5410","10.1021/jo034424y","","","0.71073","MoKα","","0.1128","0.1075","","","0.2991","0.3053","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022463","7.247","0.008","14.078","0.006","14.564","0.007","110.59","0.03","90.06","0.08","93.6","0.07","1387.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","compound-7","","- C16 H13 F N4 O -","- C16 H13 F N4 O -","- C64 H52 F4 N16 O4 -","4","2","","Cécile Enguehard; Hassan Allouchi; Alain Gueiffier; Stephen L. Buchwald","Ipso- or Cine-Substitutions of 6-Haloimidazo[1,2-a]pyridine Derivatives with Different Azoles Depending on the Reaction Conditions","Journal of Organic Chemistry","2003","68","","5614","5617","10.1021/jo034439w","","","0.71069","MoKα","","0.1139","0.0519","","","0.1261","0.1458","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022464","10.315","0.002","10.086","0.001","17.44","0.003","90","","106.88","0.02","90","","1736.2","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","1.54178","CuKα","","0.0851","0.0497","","","0.1289","0.1493","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022465","10.716","0.001","15.786","0.001","10.911","0.001","90","","111.56","0.01","90","","1716.6","0.2","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl2 N4 O2 Pd -","- C32 H48 Cl2 N4 O2 Pd -","- C64 H96 Cl4 N8 O4 Pd2 -","2","0.5","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","0.71073","MoKα","","0.0332","0.0258","","","0.0625","0.066","","","","","","1.042","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022466","10.603","0.001","15.207","0.001","10.839","0.001","90","","108.89","0.01","90","","1653.6","0.2","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cl2 N4 O2 Pd -","- C30 H44 Cl2 N4 O2 Pd -","- C60 H88 Cl4 N8 O4 Pd2 -","2","0.5","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","0.71073","MoKα","","0.0307","0.0271","","","0.0662","0.0682","","","","","","1.032","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022467","9.44","0.001","10.181","0.001","10.621","0.001","68.3","0.01","89.88","0.01","67.89","0.01","867.47","0.15","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl2 N4 O2 Pd -","- C36 H40 Cl2 N4 O2 Pd -","- C36 H40 Cl2 N4 O2 Pd -","1","0.5","","Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein","N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations","Journal of Organic Chemistry","2003","68","","6690","6694","10.1021/jo034455t","","","0.71073","MoKα","","0.0418","0.0333","","","0.0706","0.0747","","","","","","1.067","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022468","11.0839","0.0017","6.428","0.001","29.59","0.005","90","","90.779","0.003","90","","2108","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C92 H112 N8 O16 -","4","1","","Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski","Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes","Journal of Organic Chemistry","2003","68","","8991","8995","10.1021/jo034462h","","","0.71073","MoKα","","0.1281","0.0721","","","0.1729","0.2233","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022469","30.149","0.016","7.157","0.004","23.908","0.013","90","","122.856","0.009","90","","4334","4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","gs39","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C184 H224 N16 O32 -","8","1","","Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski","Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes","Journal of Organic Chemistry","2003","68","","8991","8995","10.1021/jo034462h","","","0.71073","MoKα","","0.0942","0.0547","","","0.1392","0.1619","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022470","14.265","0.004","17.596","0.005","8.679","0.003","90","","90","","90","","2178.4","1.2","571","2","571","2","","","","","","","","4","P n a 21","P 2c -2n","33","gs41","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski","Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes","Journal of Organic Chemistry","2003","68","","8991","8995","10.1021/jo034462h","","","0.71073","MoKα","","0.0617","0.0455","","","0.1095","0.1208","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022471","8.524","0.001","10.04","0.003","24.132","0.005","90","0.02","90","0.01","90","0.02","2065.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,9aR,9bS)-2-Phenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0489","0.0472","","","0.131","0.1348","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022472","9.079","0.001","9.92","0.001","27.771","0.002","90","0.007","90","0.006","90","0.007","2501.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,4R,9aR,9bS)-4-Butyl-2-phenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0737","0.0673","","","0.182","0.1932","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022473","8.986","0.001","9.522","0.001","14.42","0.001","90","0.002","90.139","0.002","90","0.002","1233.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,4R,9aR,9bS)-2,4-Diphenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0638","0.046","","","0.1138","0.1259","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022474","10.191","0.001","13.857","0.002","10.568","0.001","90","0.01","114.6","0.01","90","0.02","1356.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4aR,6R,7R-2-Oxo-7-phenyl-1-(R)-(1-phenyl-ethyl)- 1,2,3,4,4a,5,6,7-octahydro-quinoline-6-carboxylic acid S-(1-phenyl-ethyl)-amide","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C64 H68 N4 O4 -","2","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0569","0.0547","","","0.1581","0.1629","","","","","","0.705","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022475","9.415","0.001","9.884","0.001","30.493","0.002","90","0.003","90","0.003","90","0.002","2837.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(4aS,6S,7S)-7-Butyl-2-oxo-1-(R)-(1-phenylethyl)- 1,2,3,4,4a,5,6,7-octahydro-quinoline-6-carboxylic Acid (S)-(1-phenylethyl)-amide","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.1498","0.0915","","","0.1806","0.2083","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022476","7.553","0.001","9.066","0.001","31.076","0.002","90","","90","","90","","2127.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-3-isopropylidene-4-methyl-2-phenyl- 1,2,3,5,6,7,8,8a-octahydroquinoline","","- C26 H31 N -","- C26 H31 N -","- C104 H124 N4 -","4","1","","David Regás; María M. Afonso; Matías L. Rodríguez; J. Antonio Palenzuela","Synthesis of Octahydroquinolines through the Lewis Acid Catalyzed Reaction of Vinyl Allenes and Imines","Journal of Organic Chemistry","2003","68","","7845","7852","10.1021/jo034480z","","","0.71073","MoKα","","0.0635","0.0553","","","0.141","0.1477","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022477","9.1347","0.0003","9.4741","0.0003","18.1026","0.0006","90","","90","","90","","1566.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,6S,7S,8R,8aS)-7,8-diacetyloxy-6-methylhexahydro-4aH-[1,4]dithiino [2,3b]pyran.","","- C12 H18 O5 S2 -","- C12 H18 O5 S2 -","- C48 H72 O20 S8 -","4","1","","Mabel Fragoso-Serrano; Georgina Guillén-Jaramillo; Rogelio Pereda-Miranda; Carlos M. Cerda-García-Rojas","Conformational Analysis of Sulfur-Containing 6-Deoxy-L-hexose Derivatives by Molecular Modeling and NMR Spectroscopy. A Theoretical Study and Experimental Evidence of Intramolecular Nonbonded Interactions between Sulfur and Oxygen","Journal of Organic Chemistry","2003","68","","7167","7175","10.1021/jo034492k","","","0.71073","MoKα","","0.0479","0.0416","","","0.0964","0.1004","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022478","7.9175","0.0008","19.677","0.002","6.93","0.0007","90","","90","","90","","1079.67","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H11 F2 N3 O4 -","- C9 H10 F2 N3 O4.093 -","- C36 H40 F8 N12 O16.372 -","4","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.068","0.0391","","","0.0609","0.0663","","","","","","0.865","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022479","12.253","0.008","5.482","0.004","14.256","0.012","90","","112.583","0.013","90","","884.1","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 F2 O3 S -","- C19 H18 F2 O3 S -","- C38 H36 F4 O6 S2 -","2","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.0639","0.0458","","","0.112","0.1207","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022480","11.0397","0.0013","8.1327","0.0009","12.9723","0.0015","90","","106.01","0.002","90","","1119.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 F2 N3 O2 S -","- C9 H11 F2 N3 O2 S -","- C36 H44 F8 N12 O8 S4 -","4","1","","Xingang Zhang; Hairong Xia; XiCheng Dong; Jing Jin; Wei-Dong Meng; Feng-Ling Qing","3-Deoxy-3,3-difluoro-D-arabinofuranose: First Stereoselective Synthesis and Application in Preparation of gem-Difluorinated Sugar Nucleosides","Journal of Organic Chemistry","2003","68","","9026","9033","10.1021/jo034512i","","","0.71073","MoKα","","0.0896","0.0472","","","0.0842","0.093","","","","","","0.802","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022481","8.47","0.06","13.71","0.015","19.471","0.004","90","","90","","90","","2260","16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 I O3 -","- C23 H33 I O3 -","- C92 H132 I4 O12 -","4","1","","José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda","Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~","Journal of Organic Chemistry","2003","68","","6583","6586","10.1021/jo034517f","","","0.71073","MoKα","","0.0998","0.0415","","","0.0936","0.1147","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022482","13.826","0.0009","13.826","0.0009","10.088","0.0006","90","","90","","120","","1670.05","0.18","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C23 H33 I O3 -","- C23 H33 I O3 -","- C69 H99 I3 O9 -","3","1","","José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda","Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~","Journal of Organic Chemistry","2003","68","","6583","6586","10.1021/jo034517f","","","1.5418","CuKα","","0.0552","0.0408","","","0.1176","0.1414","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022483","12.331","0.009","11.235","0.005","8.528","0.002","90","","94.05","0.04","90","","1179","1","294.2","","294.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Qunzhao Wang; Omar W. Steward","Cyclic Alkenenitriles: Synthesis, Conjugate Addition, and Stereoselective Annulation","Journal of Organic Chemistry","2003","68","","7646","7650","10.1021/jo0345291","","","0.7107","MoKα","","","0.0466","","","","0.0537","","","","","","1.237","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022484","4.92","0.01","37.11","0.05","8.36","0.01","93.27","0.01","104.64","0.01","89.43","0.01","1474","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,5''-Bis(n-hexyl)-2,2':5,2''-ter(3,4-ethylenedioxythiophene","","- C30 H38 O6 S3 -","- C30 H38 O6 S3 -","- C60 H76 O12 S6 -","2","1","","Mathieu Turbiez; Pierre Frère; Jean Roncali","Stable and Soluble Oligo(3,4-ethylenedioxythiophene)s End-Capped with Alkyl Chains","Journal of Organic Chemistry","2003","68","","5357","5360","10.1021/jo0345493","","","0.71073","MoKα","","0.1008","0.0579","","","0.1308","0.1429","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022485","12.1452","0.0009","18.5478","0.0009","12.4433","0.0009","90","","95.324","0.009","90","","2791","0.4","180","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","9-(2,6-Dimethoxy-phenyl)-1,8-dimethoxy-10-(1,2,2-trimethyl-propyl)- 9,10-dihydro-acridinium tetrafluoroborate salt","","- C29 H34 B F4 N O4 -","- C29 H34 B F4 N O4 -","- C116 H136 B4 F16 N4 O16 -","4","2","","Benoît Laleu; Christelle Herse; Bo W. Laursen; Gérald Bernardinelli; Jérôme Lacour","Bent Structure and Dynamic Stereochemistry of Chiral Acridinium Cations","Journal of Organic Chemistry","2003","68","","6304","6308","10.1021/jo0345998","","","0.71073","MoKα","","","0.038","","","","0.037","","","","","","1.498","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022486","7.4281","0.0004","22.6402","0.001","9.3855","0.0006","90","","102.078","0.008","90","","1543.45","0.16","200","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","9-(2,6-Dimethoxy-phenyl)-1,8-dimethoxy-10-(2-trans-benzyloxy-cyclopentyl)- 9,10-dihydro-acridinium tetrafluoroborate salt","","- C35 H36 B F4 N O5 -","- C35 H36 B F4 N O5 -","- C70 H72 B2 F8 N2 O10 -","2","1","","Benoît Laleu; Christelle Herse; Bo W. Laursen; Gérald Bernardinelli; Jérôme Lacour","Bent Structure and Dynamic Stereochemistry of Chiral Acridinium Cations","Journal of Organic Chemistry","2003","68","","6304","6308","10.1021/jo0345998","","","0.71073","MoKα","","","0.033","","","","0.033","","","","","","1.67","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022487","22.019","0.002","7.1094","0.001","19.993","0.002","90","","97.55","","90","","3102.6","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rel-(6aR, 6bS, 12bS,12cR)-2,11-Dimethyl-6a,6b,12b,12c-tetrahydro- 5,8-dioxa-dibenzo[a,i]biphenylene-6,7-dione","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","","Xiuling Yu; Dieter Scheller; Otto Rademacher; Thomas Wolff","Selectivity in the Photodimerization of 6-Alkylcoumarins","Journal of Organic Chemistry","2003","68","","7386","7399","10.1021/jo034627m","","","0.71073","MoKα","","0.0647","0.0489","","","0.1164","0.1314","","","","","","1.083","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022488","13.401","0.003","19.157","0.005","28.489","0.007","90","","90","","90","","7313","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H83 Br O40 -","- C48 H70 Br O40 -","- C192 H280 Br4 O160 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2173","0.1135","","","0.2754","0.3395","","","","","","0.988","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022489","13.207","0.004","18.993","0.005","28.563","0.008","90","","90","","90","","7165","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H81 N O41 -","- C48 H70.5 N O41 -","- C192 H282 N4 O164 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2194","0.1165","","","0.2778","0.349","","","","","","1.014","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022490","13.204","0.005","19.146","0.007","28.835","0.012","90","","90","","90","","7290","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H80 N0 O40 -","- C49 H71.5 O39 -","- C196 H286 O156 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2946","0.1416","","","0.3217","0.4211","","","","","","1.016","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022491","22.074","0.015","22.074","0.015","28.61","0.04","90","","90","","90","","13938","23","273","2","273","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C48 H80 N0 O37 Se -","- C48 H74 O37 Se -","- C384 H592 O296 Se8 -","8","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2826","0.1257","","","0.2722","0.3424","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022492","19.21","0.02","24.62","0.03","15.707","0.019","90","","109.97","0.03","90","","6982","14","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C49 H90 O45 -","- C49 H74 O44.5 -","- C196 H296 O178 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.3059","0.1248","","","0.2469","0.3366","","","","","","0.978","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022493","10.5359","0.0006","9.9811","0.0006","10.232","0.0006","90","","92.281","0.001","90","","1075.14","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Trevor C. McMorris; Qiang Cong; Michael J. Kelner","Structure-Activity Relationship Studies of Illudins: Analogues Possessing a Spiro-cyclobutane Ring","Journal of Organic Chemistry","2003","68","","9648","9653","10.1021/jo0346499","","","0.71073","MoKα","","0.0487","0.0439","","","0.1205","0.1239","","","","","","1.033","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022494","8.335","0.0003","11.7237","0.0005","13.1418","0.0005","74.742","0.001","82.351","0.001","76.111","0.001","1199.33","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","2","","Trevor C. McMorris; Qiang Cong; Michael J. Kelner","Structure-Activity Relationship Studies of Illudins: Analogues Possessing a Spiro-cyclobutane Ring","Journal of Organic Chemistry","2003","68","","9648","9653","10.1021/jo0346499","","","0.71073","MoKα","","0.0445","0.0432","","","0.1176","0.1191","","","","","","1.061","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022495","6.55","0.001","29.51","0.005","15.509","0.003","90","","99.044","0.009","90","","2960.6","0.9","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N Se -","- C15 H16 Br N Se -","- C120 H128 Br8 N8 Se8 -","8","2","","Toshiaki Murai; Akinori Fujishima; Chigusa Iwamoto; Shinzi Kato","Highly Efficient Peterson Olefination Leading to Unsaturated Selenoamides and Their Characterization","Journal of Organic Chemistry","2003","68","","7979","7982","10.1021/jo034653k","","","0.7107","MoKα","","","0.0543","","","","0.1499","","","","","","0.874","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022496","6.9511","0.0003","11.9573","0.0007","22.33","0.002","90","","90","","90","","1856","0.2","268","2","268","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","1","","I. S. Marcos; A. B. Pedrero; M. J. Sexmero; D. Diez; P. Basabe; N. García; R. F. Moro; H. B. Broughton; F. Mollinedo; J. G. Urones","Synthesis of Bioactive Sesterterpenolides from ent-Halimic Acid. 15-Epi-ent-cladocoran A and B","Journal of Organic Chemistry","2003","68","","7496","7504","10.1021/jo034663l","","","1.5418","CuKα","","0.0774","0.0325","","0.0619","0.0479","","","","0.704","0.823","0.823","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022497","10.786","0.003","12.596","0.004","14.031","0.005","90","","98.51","0.03","90","","1885.3","1","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N O4 Si -","- C17 H27 N O4 Si -","- C68 H108 N4 O16 Si4 -","4","1","","Alexander A. Tishkov; Alexey V. Lesiv; Yulya A. Khomutova; Yury A. Strelenko; Ivan D. Nesterov; Michael Yu. Antipin; Sema L. Ioffe; Scott E. Denmark","2-Silyloxy-1,2-oxazines, a New Type of Acetals of Conjugated Nitroso Alkenes","Journal of Organic Chemistry","2003","68","","9477","9480","10.1021/jo034669a","","","0.71073","MoKα","","0.0567","0.0435","","","0.1154","0.1217","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022498","7.831","0.004","8.097","0.004","11.193","0.006","87.022","0.01","71.556","0.013","85.261","0.012","670.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C28 H38 N2 O8 -","2","1","","Alexander A. Tishkov; Alexey V. Lesiv; Yulya A. Khomutova; Yury A. Strelenko; Ivan D. Nesterov; Michael Yu. Antipin; Sema L. Ioffe; Scott E. Denmark","2-Silyloxy-1,2-oxazines, a New Type of Acetals of Conjugated Nitroso Alkenes","Journal of Organic Chemistry","2003","68","","9477","9480","10.1021/jo034669a","","","0.71073","MoKα","","0.1148","0.0631","","","0.1461","0.1723","","","","","","0.881","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022501","5.9734","0.0001","17.1311","0.0004","9.0637","0.0002","90","","108.768","0.001","90","","878.18","0.03","200","","","","","","","","","","Local laboratory","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C36 H52 O14 -","2","1","","Martin G. Banwell; Alison J. Edwards; Michael Essers; Katrina A. Jolliffe","Conversion of (-)-3-Dehydroshikimic Acid into Derivatives of the (+)-Enantiomer","Journal of Organic Chemistry","2003","68","","6839","6841","10.1021/jo034689c","","","0.71073","MoKα","","","0.0299","","","","0.0354","","","","","","1.0511","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022502","8.0033","0.0014","11.559","0.003","26.542","0.005","90","","90","","90","","2455.4","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 N O6 P -","- C8 H20 N O6 P -","- C64 H160 N8 O48 P8 -","8","2","","María Ruiz; M. Carmen Fernández; Aniana Díaz; José M. Quintela; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Conjugate Addition of Lithiated Schöllkopf's Bislactim Ethers to Vinylphosphonates","Journal of Organic Chemistry","2003","68","","7634","7645","10.1021/jo034707q","","","0.71073","MoKα","","0.0548","0.0397","","","0.0813","0.0887","","","","","","1.109","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022503","11.547","0.0005","9.859","0.0005","14.029","0.0006","90","","105.41","0.003","90","","1539.67","0.12","90","0.2","90","0.2","","","","","","","synthesized by Chad A. Snyder","4","P 1 21/c 1","-P 2ybc","14","","5-(4-methoxymethyl-2,5-dimethylthiophen-3-ylmethyl)-2,2 -dimethyl[1,3]dioxane-4,6-dione","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.0675","0.0428","","","0.0837","0.0972","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022504","7.812","0.0006","8.776","0.0006","10.547","0.0008","106.086","0.004","94.886","0.004","108.224","0.004","648.12","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","1,3,7,7-tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenzo[f]azulen-5-one","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C28 H32 O8 S2 -","2","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.0496","0.0383","","","0.0856","0.0902","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022505","23.101","0.0005","5.801","0.0002","11.358","0.001","90","","99.35","0.002","90","","1501.85","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dimethyl-6-oxo-7,8-dihydro-4H,6H- thieno[3,4-c]oxepine-7-carboxylic acid tert-butyl ester","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.107","0.081","","","0.1195","0.1265","","","","","","1.225","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022506","6.0917","0.0012","15.484","0.003","9.968","0.002","90","","99.72","0.03","90","","926.7","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethyl-7,8-dihydro-4H-thieno[3,4-c]oxepin-6-one","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Chad A. Snyder; John P. Selegue; Eniolami Dosunmu; Nathan C. Tice; Sean Parkin","C,O-Dialkylation of Meldrum's Acid: Synthesis and Reactivity of 1,3,7,7-Tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one","Journal of Organic Chemistry","2003","68","","7455","7459","10.1021/jo034708i","","","0.71073","MoKα","","0.0697","0.0506","","","0.1023","0.1077","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022507","9.1577","0.0003","11.0566","0.0004","15.6253","0.0006","90","","90","","90","","1582.11","0.1","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 Pd -","- C16 H26 N2 O3 Pd -","- C64 H104 N8 O12 Pd4 -","4","1","","Sunil K. Mandal; Matthew S. Sigman","Palladium-Catalyzed Aerobic Oxidative Kinetic Resolution of Alcohols with an Achiral Exogenous Base","Journal of Organic Chemistry","2003","68","","7535","7537","10.1021/jo034717r","","","0.71073","MoKα","","0.0297","0.0272","","","0.0624","0.064","","","","","","1.107","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022508","13.6705","0.0006","6.4311","0.0003","14.8119","0.0006","90","","102.963","0.001","90","","1269.02","0.1","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-bis-(mesitylethenyl)-2,3,5,6-tetramethylbenzene","","- C32 H38 -","- C32 H38 -","- C64 H76 -","2","0.5","","Carmine Coluccini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 94. Cogwheel Pathway for the Stereomutations of Durene Derivatives Containing the Mesityl Ring","Journal of Organic Chemistry","2003","68","","7266","7273","10.1021/jo034737t","","","0.71073","MoKα","","0.0837","0.0582","","","0.1849","0.1994","","","","","","1.125","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022509","9.3293","0.0002","15.7444","0.0004","17.1152","0.0004","81.621","0.001","86.524","0.001","73.476","0.001","2383.92","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis-(mesitoyl)-2,3,5,6-tetramethylbenzene","","- C30 H34 O2 -","- C30 H34 O2 -","- C120 H136 O8 -","4","2","","Carmine Coluccini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 94. Cogwheel Pathway for the Stereomutations of Durene Derivatives Containing the Mesityl Ring","Journal of Organic Chemistry","2003","68","","7266","7273","10.1021/jo034737t","","","0.71073","MoKα","","0.0544","0.045","","","0.1218","0.13","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022510","8.4917","0.0004","8.6147","0.0004","9.2869","0.0005","66.874","0.001","84.162","0.001","76.785","0.001","608.18","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis-(mesitoyl)-2,3,5,6-tetramethylbenzene","","- C30 H34 O2 -","- C30 H34 O2 -","- C30 H34 O2 -","1","0.5","","Carmine Coluccini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 94. Cogwheel Pathway for the Stereomutations of Durene Derivatives Containing the Mesityl Ring","Journal of Organic Chemistry","2003","68","","7266","7273","10.1021/jo034737t","","","0.71073","MoKα","","0.0653","0.0586","","","0.1715","0.1813","","","","","","1.06","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022511","18.601","0.013","6.823","0.002","15.622","0.007","90","","124.96","0.04","90","","1624.9","1.4","293","2","293","2","","","","","","","synthesized by the authors, see text","4","C 1 2 1","C 2y","5","(3S,5R,8S)-methyl 3-[N-(Boc)] amino-1-azabicyclo[3.3.0]octan-2-one 8-carboxylate","","","- C14 H22 N2 O5 -","- C14 H22 N2 O5 -","- C56 H88 N8 O20 -","4","1","","Evelyne Dietrich; William D. Lubell","Efficient Synthesis of Enantiopure Pyrrolizidinone Amino Acid","Journal of Organic Chemistry","2003","68","","6988","6996","10.1021/jo034739d","","","1.54056","CuKα","","0.0594","0.0472","","0.1134","","0.1091","","","0.847","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022512","6.3159","0.0006","10.5969","0.001","16.9425","0.0017","74.183","0.002","88.992","0.002","85.741","0.002","1087.99","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","4,5:4',5'-Bis(bicyclo[2.2.2]octeno)-2,2'-bithiophene","","","- C27 H30 S2 -","- C27 H30 S2 -","- C54 H60 S4 -","2","1","","Atsushi Wakamiya; Daisuke Yamazaki; Tohru Nishinaga; Toshikazu Kitagawa; Koichi Komatsu","Synthesis and Properties of Novel Oligothiophenes Surrounded by Bicyclo[2.2.2]octene Frameworks","Journal of Organic Chemistry","2003","68","","8305","8314","10.1021/jo034754i","","","0.71073","MoKα","","0.068","0.0537","","","0.1493","0.1605","","","","","","1.05","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022513","13.1988","0.0008","10.1717","0.0007","17.8654","0.0011","90","","96.436","0.002","90","","2383.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(bicyclo[2.2.2]octeno)bicyclo[2.2.2]octanoterthiophene","","","- C30 H32 S3 -","- C30 H32 S3 -","- C120 H128 S12 -","4","1","","Atsushi Wakamiya; Daisuke Yamazaki; Tohru Nishinaga; Toshikazu Kitagawa; Koichi Komatsu","Synthesis and Properties of Novel Oligothiophenes Surrounded by Bicyclo[2.2.2]octene Frameworks","Journal of Organic Chemistry","2003","68","","8305","8314","10.1021/jo034754i","","","0.71073","MoKα","","0.0536","0.0392","","","0.0843","0.0879","","","","","","0.927","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022514","8.5907","0.0018","9.505","0.002","12.059","0.003","93.242","0.004","107.154","0.004","102.644","0.004","910.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5'-Dibromo-3,4:3',4'-bis(bicyclo[2.2.2]octano)- 2,2'-bithiophene","","- C20 H20 Br2 S2 -","- C20 H20 Br2 S2 -","- C40 H40 Br4 S4 -","2","1","","Atsushi Wakamiya; Daisuke Yamazaki; Tohru Nishinaga; Toshikazu Kitagawa; Koichi Komatsu","Synthesis and Properties of Novel Oligothiophenes Surrounded by Bicyclo[2.2.2]octene Frameworks","Journal of Organic Chemistry","2003","68","","8305","8314","10.1021/jo034754i","","","0.71073","MoKα","","0.0919","0.0622","","","0.1648","0.1814","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022515","17.628","0.003","17.628","0.003","23.372","0.005","90","","90","","90","","7262.5","2.4","143","1","143","2","","","","","","","","6","I 41/a :2","-I 4ad","88","meso-tetra-(4-methoxycarbonyl-phenyl)tetranaphthaloporphyrin","","","- C86 H56 Cl4 N4 O8 Pd -","- C84 H52 N4 O8 Pd -","- C336 H208 N16 O32 Pd4 -","4","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Patrick J. Carroll; Sergei A. Vinogradov","Novel Route to Functionalized Tetraaryltetra[2,3]naphthaloporphyrins via Oxidative Aromatization","Journal of Organic Chemistry","2003","68","","7517","7520","10.1021/jo0347819","","","0.71069","MoKα","","0.09","0.0817","","0.2624","0.2561","","","","0.884","0.919","0.919","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022516","12.6576","0.0012","12.9646","0.0012","14.7179","0.0014","64.575","0.002","80.253","0.002","80.547","0.002","2138.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 O12 -","- C41 H59 O17 -","- C82 H118 O34 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.1939","0.074","","","0.1439","0.1933","","","","","","0.925","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022517","11.663","0.003","14.711","0.003","15.699","0.003","98.691","0.004","91.894","0.004","102.227","0.004","2596.2","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","resorcinarene","","","- C62 H63 O10 -","- C62 H63 O10 -","- C124 H126 O20 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.2287","0.0684","","","0.1162","0.1644","","","","","","0.926","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022518","11.4558","0.001","11.6273","0.001","18.6627","0.0016","102.785","0.002","90.042","0.002","102.881","0.002","2360","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","resorcinarene","","","- C46 H59 N3 O17 -","- C46 H59 N3 O16.8 -","- C92 H118 N6 O33.6 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.0909","0.062","","","0.1786","0.2055","","","","","","1.057","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022519","16.26","0.04","24.57","0.07","22.96","0.06","90","","93.32","0.06","90","","9155","44","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrrogallolarene","","","- C43.4 H49.5 Cl0.5 O16.35 -","- C43.4 H49.5 Cl0.5 O16.35 -","- C347.2 H396 Cl4 O130.8 -","8","2","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.2701","0.0943","","","0.2404","0.3363","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022520","14.5152","0.0009","14.5152","0.0009","9.3463","0.0008","90","","90","","90","","1969.2","0.2","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","resorcinarene","","","- C42 H51 N O9 -","- C42 H51 N O9 -","- C84 H102 N2 O18 -","2","0.25","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.0677","0.059","","","0.1737","0.1842","","","","","","1.052","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022521","11.157","0.003","16.173","0.004","23.393","0.007","108.866","0.016","91.142","0.012","96.117","0.014","3964.9","1.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","pyrrogallolarene","","","- C80 H136 O11 -","- C80 H136 O16 -","- C160 H272 O32 -","2","1","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.0864","0.058","","","0.1396","0.1583","","","","","","1.037","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022522","6.6176","0.0005","15.4827","0.0011","10.5353","0.0008","90","","96.145","0.001","90","","1073.23","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 O3 P Se -","- C9 H11 O3 P Se -","- C36 H44 O12 P4 Se4 -","4","1","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.0283","0.0251","","","0.068","0.0689","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022523","10.1506","0.0008","7.3041","0.0006","17.0346","0.0014","90","","105.77","0.001","90","","1215.42","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 O P S2 Se -","- C9 H11 O P S2 Se -","- C36 H44 O4 P4 S8 Se4 -","4","1","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.0316","0.0284","","","0.0747","0.0759","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022524","8.274","0.0006","12.801","0.01","12.387","0.01","90","","99.98","0.01","90","","1292.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 P S3 Se -","- C9 H11 P S3 Se -","- C36 H44 P4 S12 Se4 -","4","1","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.0332","0.0287","","","0.0769","0.0787","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022525","9.4802","0.0005","19.4176","0.0011","26.1541","0.0016","90","","100.369","0.001","90","","4735.9","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H11 O2 P S Se -","- C9 H11 O2 P S Se -","- C144 H176 O32 P16 S16 Se16 -","16","8","","Chrystel Lopin; Géraldine Gouhier; Arnaud Gautier; Serge R. Piettre","Phosphonyl, Phosphonothioyl, Phosphonodithioyl, and Phosphonotrithioyl Radicals: Generation and Study of Their Addition onto Alkenes","Journal of Organic Chemistry","2003","68","","9916","9923","10.1021/jo0348064","","","0.71073","MoKα","","0.1149","0.0432","","","0.0628","0.0712","","","","","","0.722","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022526","9.628","0.006","10.488","0.003","10.403","0.004","90","","115.45","0.04","90","","948.5","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.7093","MolybdenumKα","","0.107","0.047","","0.098","0.048","","","","","1.04","1.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022527","10.6118","0.0003","10.6555","0.0003","17.8821","0.0007","90","","90","","90","","2022","0.11","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","1","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.71073","MoKα","","0.071","0.05","","0.096","0.091","0.091","","","1.721","1.62","1.62","1.616","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022528","10.1762","0.0002","16.5343","0.0004","22.069","0.0007","90","","91.8689","0.0008","90","","3711.3","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","4","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.71073","MoKα","","0.085","0.056","","0.1","0.092","0.091","","","1.911","1.906","1.906","1.87","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022529","7.4362","0.0004","12.0213","0.0006","20.2975","0.001","90","","90.725","0.001","90","","1814.31","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Peter Wipf; Thomas H. Graham","Photoactivated Tungsten Hexacarbonyl-Catalyzed Conversion of Alkynols to Glycals","Journal of Organic Chemistry","2003","68","","8798","8807","10.1021/jo034813s","","","0.71073","MoKα","","0.0748","0.0563","","","0.1424","0.1542","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022530","4.47","0.0006","23.896","0.003","9.34","0.0013","90","","99.376","0.007","90","","984.3","0.2","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Marcus H. Holschbach; Dionisia Sanz; Rosa M. Claramunt; Lourdes Infantes; Sam Motherwell; Paul R. Raithby; María Luisa Jimeno; David Herrero; Ibon Alkorta; Nadine Jagerovic; José Elguero","Structure of a 4-Nitroso-5-aminopyrazole and Its Salts: Tautomerism, Protonation, and E/Z Isomerism","Journal of Organic Chemistry","2003","68","","8831","8837","10.1021/jo034833u","","","0.71073","MoKα","","0.0564","0.0461","","","0.1022","0.1078","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022531","9.345","0.003","11.447","0.004","13.661","0.005","90","","109.105","0.006","90","","1380.9","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 28","Bis-2(1H)-Pyridinethione Zinc Dichloride Complex","","- C10 H10 Cl2 N2 S2 Zn -","- C10 H10 Cl2 N2 S2 Zn -","- C40 H40 Cl8 N8 S8 Zn4 -","4","0.5","","John Y. L. Chung; Raymond J. Cvetovich; Fuh-Rong Tsay; Peter G. Dormer; Lisa DiMichele; David J. Mathre; Jennifer R. Chilenski; Bing Mao; Robert Wenslow","Synthesis of 3-Aminopyrazinone Mediated by 2-Pyridylthioimidate-ZnCl~2~ Complexes. Development of an Efficient Route to a Thrombin Inhibitor","Journal of Organic Chemistry","2003","68","","8838","8846","10.1021/jo034835e","","","0.71073","MoKα","","0.0368","0.0336","","","0.0839","0.0852","","","","","","0.996","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022532","15.959","0.007","14.202","0.006","8.757","0.004","90","","91.41","0.009","90","","1984.2","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 31","[2-oxo-3-(pyridin-2-ylthio)pyrazin-1(2H)-yl]acetate Zinc Dichloride Complex","","- C15 H16 Cl2 N4 O3 S Zn -","- C15 H16 Cl2 N4 O3 S Zn -","- C60 H64 Cl8 N16 O12 S4 Zn4 -","4","1","","John Y. L. Chung; Raymond J. Cvetovich; Fuh-Rong Tsay; Peter G. Dormer; Lisa DiMichele; David J. Mathre; Jennifer R. Chilenski; Bing Mao; Robert Wenslow","Synthesis of 3-Aminopyrazinone Mediated by 2-Pyridylthioimidate-ZnCl~2~ Complexes. Development of an Efficient Route to a Thrombin Inhibitor","Journal of Organic Chemistry","2003","68","","8838","8846","10.1021/jo034835e","","","0.71073","MoKα","","0.0776","0.0528","","","0.124","0.1453","","","","","","0.911","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022533","15.625","0.0008","5.9354","0.0003","17.382","0.001","90","","106.929","0.002","90","","1542.2","0.1","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Koji Miki; Kouichi Ohe; Sakae Uemura","Ruthenium-Catalyzed Cyclopropanation of Alkenes Using Propargylic Carboxylates as Precursors of Vinylcarbenoids","Journal of Organic Chemistry","2003","68","","8505","8513","10.1021/jo034841a","","","0.7107","MoKα","","","0.046","","","","0.043","","","","","","1.719","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022534","8.1159","0.0007","9.33","0.001","10.3661","0.0008","90","","97.6","0.008","90","","778","0.1","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Koji Miki; Kouichi Ohe; Sakae Uemura","Ruthenium-Catalyzed Cyclopropanation of Alkenes Using Propargylic Carboxylates as Precursors of Vinylcarbenoids","Journal of Organic Chemistry","2003","68","","8505","8513","10.1021/jo034841a","","","0.7107","MoKα","","","0.042","","","","0.048","","","","","","3.433","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022535","12.282","0.002","15.821","0.002","11.963","0.002","104.43","0.01","108.27","0.01","101.63","0.01","2036.7","0.6","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 B2 F8 O4 Se2 -","- C18 H19 B F4 O2 Se -","- C72 H76 B4 F16 O8 Se4 -","4","2","","Hironori Kinoshita; Takashi Osamura; Sayaka Kinoshita; Tatsunori Iwamura; Shin-ichi Watanabe; Tadashi Kataoka; Genzoh Tanabe; Osamu Muraoka","Chalcogeno-Morita-Baylis-Hillman Reaction of Enones with Acetals: Simple α-Alkoxyalkylation of Enones","Journal of Organic Chemistry","2003","68","","7532","7534","10.1021/jo0348470","","","0.7107","MoKα","","","0.0628","","","","0.1043","","","","","","1.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022536","9.9807","0.0014","11.181","0.0014","11.4716","0.0015","90","","110.209","0.003","90","","1201.4","0.3","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C44 H68 N4 O16 -","4","1","","Grant R. Krow; Guoliang Lin; Seth B. Herzon; Andrew M. Thomas; Keith P. Moore; Qiuli Huang; Patrick J. Carroll","Convenient Preparations of 2,4-Methanopyrrolidine and 5-Carboxy-2,4-methanopyrrolidines","Journal of Organic Chemistry","2003","68","","7562","7564","10.1021/jo0348672","","","0.7107","MoKα","","0.0421","0.0383","","","0.0945","0.0976","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022537","20.437","0.004","20.437","0.0004","16.81","0.003","90","","90","","90","","7021","1.9","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","calixarene","","","- C30 H31 F3 O5 -","- C30 H31 F3 O5 -","- C240 H248 F24 O40 -","8","1","","Noa Seri; Samah Simaan; Mark Botoshansky; Menahem Kaftory; Silvio E. Biali","A Conformationally Flexible Tetrahydroxycalix[4]arene Adopting the Unusual 1,3-Alternate Conformation","Journal of Organic Chemistry","2003","68","","7140","7142","10.1021/jo034874q","","","0.71073","MoKα","","0.255","0.1638","","","0.3796","0.4081","","","","","","2.122","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022538","8.7197","0.0005","11.5542","0.0005","22.8721","0.0014","90","","99.33","0.007","90","","2273.9","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 F6 N6 P -","- C20 H27 F6 N6 P -","- C80 H108 F24 N24 P4 -","4","1","","Volker Raab; Klaus Harms; Jörg Sundermeyer; Borislav Kovačevič; Zvonimir B. Maksič","1,8-Bis(dimethylethyleneguanidino)naphthalene: Tailoring the Basicity of Bisguanidine ""Proton Sponges"" by Experiment and Theory","Journal of Organic Chemistry","2003","68","","8790","8797","10.1021/jo034906+","","","0.71073","MoKα","","0.0593","0.0389","","","0.0985","0.1053","","","","","","1.017","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022539","6.326","0.0007","8.8945","0.001","16.7124","0.0018","81.957","0.002","85.111","0.002","77.68","0.002","908.17","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O7 S -","- C16 H21 N O7 S -","- C32 H42 N2 O14 S2 -","2","1","","Jun-Wei Shen; Dong-Guang Qin; Hong-Wang Zhang; Zhu-Jun Yao","Studies on the Synthesis of (2S,3R)-3-Hydroxy-3-methylproline via C~2~-N Bond Formation","Journal of Organic Chemistry","2003","68","","7479","7484","10.1021/jo0349328","","","0.71073","MoKα","","0.0735","0.0452","","","0.0963","0.1057","","","","","","0.873","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022540","7.528","0.002","27.765","0.005","8.662","0.002","90","0.01","112.3","0.02","90","0.02","1675.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-dimethyl-(1-toluene-4sulphonyl)-1,2,3,4,5,6-hexahydro[1]pyrindin-7-one","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Ernesto G. Occhiato; Cristina Prandi; Alessandro Ferrali; Antonio Guarna; Paolo Venturello","New Synthetic Approach to Cyclopenta-Fused Heterocycles Based upon a Mild Nazarov Reaction","Journal of Organic Chemistry","2003","68","","9728","9741","10.1021/jo034939p","","","0.71069","MoKα","","0.1036","0.0503","","","0.1161","0.1378","","","","","","1.048","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022541","16.1985","0.0017","8.4695","0.0006","15.9185","0.0012","90","","110.969","0.001","90","","2039.3","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Adrian P. Dobbs; Sebastien J. J. Guesné; Saša Martinovič; Simon J. Coles; Michael B. Hursthouse","A Versatile Indium Trichloride Mediated Prins-Type Reaction to Unsaturated Heterocycles","Journal of Organic Chemistry","2003","68","","7880","7883","10.1021/jo034981k","","","0.71073","MoKα","","0.1512","0.0941","","","0.2441","0.275","","","","","","1.043","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022542","28.3055","0.0003","6.2688","0.0001","21.0333","0.0003","90","","122.44","0.001","90","","3149.79","0.08","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N -","- C20 H23 N -","- C160 H184 N8 -","8","1","","Adrian P. Dobbs; Sebastien J. J. Guesné; Saša Martinovič; Simon J. Coles; Michael B. Hursthouse","A Versatile Indium Trichloride Mediated Prins-Type Reaction to Unsaturated Heterocycles","Journal of Organic Chemistry","2003","68","","7880","7883","10.1021/jo034981k","","","0.71073","MoKα","","0.0433","0.0379","","","0.1007","0.106","","","","","","0.967","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022543","6.5719","0.0006","9.6793","0.0005","10.2878","0.0005","90","","99.94","0.006","90","","644.6","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,4R) 3,4-O-isopropylidene-2-phenyl-tetrahydrofuran-3,4-diol","","- C11 H18 O3 S2 -","- C11 H18 O3 S2 -","- C22 H36 O6 S4 -","2","1","","Jason L. McCartney; Christopher T. Meta; Robert M. Cicchillo; Matthew D. Bernardina; Timothy R. Wagner; Peter Norris","Addition of Lithiated C-Nucleophiles to 2,3-O-Isopropylidene-D-erythronolactone: Stereoselective Formation of a Furanose C-Disaccharide","Journal of Organic Chemistry","2003","68","","10152","10155","10.1021/jo0350256","","","1.54178","CuKα","","0.0309","0.0305","","","0.0791","0.08","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022544","11.2692","0.0007","12.047","0.0008","13.1347","0.0007","103.642","0.004","103.931","0.004","102.788","0.004","1607.11","0.17","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H34 O10 -","- C40 H34 O10 -","- C80 H68 O20 -","2","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0755","0.0516","","","0.1345","0.1474","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022545","12.296","0.0007","14.3164","0.0009","18.0668","0.0011","90","","90","","90","","3180.4","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 O8 -","- C40 H34 O8 -","- C160 H136 O32 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0477","0.0362","","","0.0714","0.0738","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022546","10.8059","0.0019","13.875","0.003","19.881","0.004","90","","97.165","0.004","90","","2957.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl2 O8 -","- C35 H30 Cl2 O8 -","- C140 H120 Cl8 O32 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.1035","0.0836","","","0.2709","0.3134","","","","","","1.789","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022547","12.5856","0.0006","13.9391","0.0007","17.2984","0.0009","90","","102.328","0.001","90","","2964.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 O9 -","- C38 H32 O9 -","- C152 H128 O36 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0548","0.0442","","","0.1198","0.1268","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022548","14.802","0.002","16.017","0.002","17.246","0.002","90","","113.003","0.002","90","","3763.5","0.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 O12 -","- C40 H34 O10 -","- C160 H136 O40 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0879","0.065","","","0.1742","0.1872","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022549","16.161","0.009","17.821","0.016","13.764","0.009","90","","90","","90","","3964","5","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C192 H192 O32 -","8","0.5","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.1928","0.0495","","","0.1401","0.1986","","","","","","0.817","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022550","12.707","0.004","13.653","0.002","19.07","0.02","90","","90","","90","","3308","4","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C16 H20 O8 -","- C16 H20 O8 -","- C128 H160 O64 -","8","0.25","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.1246","0.0509","","","0.1212","0.1477","","","","","","0.994","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022551","8.572","0.001","11.57","0.001","16.588","0.001","90","","90","0.001","90","","1645.2","0.3","293","2","293","2","","","","","","","","3","P c a n","-P 2n 2c","60","","","","- C16 H22 O8 -","- C16 H22 O8 -","- C64 H88 O32 -","4","0.5","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.0673","0.0458","","","0.1127","0.1216","","","","","","1.129","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022552","9.356","0.001","13.791","0.001","15.633","0.001","90","","109.858","0.001","90","","1897.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.0723","0.0558","","","0.1425","0.1538","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022553","35.395","0.004","5.984","0.001","16.147","0.002","90","","90","","90","","3420","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Ethoxycarbonyl-3-(4-methylphenyl)-1H-indene-1-spirocyclopropane","","- C21 H20 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","2","","Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec","Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior","Journal of Organic Chemistry","2003","68","","9473","9476","10.1021/jo035104h","","","0.71073","MoKα","","0.1519","0.063","","","0.1165","0.1514","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022554","5.805","0.001","10.231","0.001","15.015","0.001","76.63","","84.39","0.01","77.47","0.01","845.86","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 1-hydroxy-1-methyl-3-(4-methylphenyl)-1H-indene-2-carboxylate","","- C20 H20 O3 -","- C20 H20 O3 -","- C40 H40 O6 -","2","1","","Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec","Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior","Journal of Organic Chemistry","2003","68","","9473","9476","10.1021/jo035104h","","","0.71073","MoKα","","0.06","0.0494","","","0.1282","0.1374","","","","","","1.032","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022555","8.903","0.001","8.993","0.001","10.927","0.001","110.05","0.01","95.09","0.01","109.17","","756.03","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 3-(4-methylphenyl)-1-oxo-1H-indene-2-carboxylate","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec","Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior","Journal of Organic Chemistry","2003","68","","9473","9476","10.1021/jo035104h","","","0.71073","MoKα","","0.0517","0.0413","","","0.1053","0.1132","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022556","16.3155","0.0003","17.4682","0.0003","21.2009","0.0005","91.986","0.005","95.875","0.005","98.608","0.005","5935.2","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C132 H127 Cl N8 Ni2 O7 -","- C131.5 H94 Cl N8 Ni2 O6.5 -","- C263 H188 Cl2 N16 Ni4 O13 -","2","1","","Sébastien Richeter; Christophe Jeandon; Nathalie Kyritsakas; Romain Ruppert; Henry J. Callot","Preparation of Six Isomeric Bis-acylporphyrins with Chromophores Reaching the Near-Infrared via Intramolecular Friedel-Crafts Reaction","Journal of Organic Chemistry","2003","68","","9200","9208","10.1021/jo035108m","","","0.71073","Mo-Kα","","0.192","0.101","","0.568","","0.134","","","6.95","","","1.263","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022557","13.5849","0.0003","21.3481","0.0007","13.4647","0.0003","90","","107.705","0.005","90","","3720","0.4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H20 Cl4 N4 Ni O2 -","- C46 H20 Cl4 N4 Ni O2 -","- C184 H80 Cl16 N16 Ni4 O8 -","4","1","","Sébastien Richeter; Christophe Jeandon; Nathalie Kyritsakas; Romain Ruppert; Henry J. Callot","Preparation of Six Isomeric Bis-acylporphyrins with Chromophores Reaching the Near-Infrared via Intramolecular Friedel-Crafts Reaction","Journal of Organic Chemistry","2003","68","","9200","9208","10.1021/jo035108m","","","0.71073","Mo-Kα","","0.073","0.035","","0.141","","0.054","","","2.787","","","1.013","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022558","19.0333","0.001","19.0258","0.0011","28.1843","0.0013","90","","90","","90","","10206.2","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H65 I O5 -","- C58 H60.5 I O5 -","- C464 H484 I8 O40 -","8","2","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Unexpected Single-Step Formation of 1,2-anti-Heterodisubstituted Calix[4]arenes upon Alkylation of a Tribenzoyl Precursor","Journal of Organic Chemistry","2003","68","","8711","8714","10.1021/jo035150h","","","1.54178","CuKα","","0.1759","0.0696","","","0.1606","0.2082","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022559","10.06","0.0004","12.5603","0.0004","17.5682","0.0006","93.966","0.001","93.777","0.001","96.381","0.001","2194.76","0.13","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H50 N2 O10 -","- C56 H50 N2 O10 -","- C112 H100 N4 O20 -","2","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.073","0.0481","","","0.1156","0.1255","","","","","","1.03","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022560","19.813","0.003","20.818","0.002","21.366","0.003","90","","92.345","0.004","90","","8805.4","1.7","90","1","90","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49.5 N2 O10 -","- C56 H49.5 N2 O10 -","- C448 H396 N16 O80 -","8","2","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.1452","0.0921","","","0.2402","0.2874","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022561","13.4358","0.0005","13.735","0.0005","16.6613","0.0006","93.192","0.001","100.527","0.001","103.187","0.001","2927.96","0.19","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 N4 O11 -","- C72 H68 N4 O11 -","- C144 H136 N8 O22 -","2","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.0967","0.0477","","","0.109","0.1261","","","","","","0.904","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022562","12.931","0.0003","14.907","0.0003","16.7803","0.0004","99.519","0.001","91.984","0.001","98.532","0.001","3148.96","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H66 N4 O12 -","- C70 H52 N4 O12 -","- C140 H104 N8 O24 -","2","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.2296","0.1236","","","0.3105","0.3455","","","","","","1.529","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022563","11.1489","0.0013","22.831","0.003","13.336","0.0013","90","","103.368","0.003","90","","3302.6","0.6","90","1","90","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C76 H75 N8 O11 -","- C76 H75 N8 O11 -","- C152 H150 N16 O22 -","2","0.5","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.0851","0.0633","","","0.1564","0.1759","","","","","","1.057","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022564","13.9383","0.0015","14.215","0.0013","30.064","0.003","90","","92.134","0.004","90","","5952.5","1.1","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H70 N4 O10 -","- C74 H70 N4 O10 -","- C296 H280 N16 O40 -","4","1","","Bao-Qing Ma; Yuegang Zhang; Philip Coppens","Multiple Conformations of Benzil in Resorcinarene-Based Supramolecular Host Matrixes","Journal of Organic Chemistry","2003","68","","9467","9472","10.1021/jo035169k","","","0.71073","MoKα","","0.2797","0.0802","","","0.1834","0.2625","","","","","","0.846","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022565","29.73","0.016","4.577","0.002","13.538","0.007","90","","113.915","0.008","90","","1684.2","1.5","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Methoxy-4-N-isopropylhydroxylaminocyclobut-3-ene-1,2-dione","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C64 H88 N8 O32 -","8","1","","Nathaniel C. Lim; Martha D. Morton; Hilary A. Jenkins; Christian Brückner","Squaric Acid N-Hydroxylamides: Synthesis, Structure, and Properties of Vinylogous Hydroxamic Acid Analogues","Journal of Organic Chemistry","2003","68","","9233","9241","10.1021/jo035175g","","","0.71073","MoKα","","0.0724","0.0449","","","0.121","0.1336","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022566","12.4038","0.0012","8.6745","0.0008","13.2282","0.0012","90","","96.336","0.002","90","","1414.6","0.2","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Morpholino-4-N-cyclohexylhydroxylaminocyclobut-3-ene-1,2-dione","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","","Nathaniel C. Lim; Martha D. Morton; Hilary A. Jenkins; Christian Brückner","Squaric Acid N-Hydroxylamides: Synthesis, Structure, and Properties of Vinylogous Hydroxamic Acid Analogues","Journal of Organic Chemistry","2003","68","","9233","9241","10.1021/jo035175g","","","0.71073","MoKα","","0.0648","0.046","","","0.1287","0.1355","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022567","11.1898","0.0006","10.3671","0.0006","12.3862","0.0007","90","","115.603","0.001","90","","1295.78","0.13","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 O5 S -","- C27 H38 O5 S -","- C54 H76 O10 S2 -","2","1","","Pierre Soucy; Alexandre L'Heureux; András Toró; Pierre Deslongchamps","Pyranophane Transannular Diels-Alder Approach to (+)-Chatancin: A Biomimetic Asymmetric Total Synthesis","Journal of Organic Chemistry","2003","68","","9983","9987","10.1021/jo035193y","","","0.71073","MoKα","","0.0257","0.0242","","","0.063","0.0641","","","","","","1.082","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022568","6.529","0.002","15.272","0.004","13.117","0.004","90","","102.144","0.006","90","","1278.7","0.6","143","1","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 I N -","- C11 H22 I N -","- C44 H88 I4 N4 -","4","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.0629","0.0454","","0.0717","0.0677","","","","1.111","1.154","1.154","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022569","10.515","0.003","7.061","0.002","16.081","0.004","90","","97.273","0.005","90","","1184.4","0.5","143","1","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cl N -","- C11 H22 Cl N -","- C44 H88 Cl4 N4 -","4","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.0415","0.0336","","0.0948","0.0918","","","","1.068","1.125","1.125","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022570","20.349","0.005","14.534","0.003","7.515","0.002","90","","90","","90","","2222.7","0.9","143","1","143","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H20 Cl N -","- C10 H20 Cl N -","- C80 H160 Cl8 N8 -","8","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.0754","0.0639","","0.1386","0.1334","","","","1.167","1.197","1.197","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022571","8.063","0.002","17.637","0.004","13.123","0.003","90","","92.939","0.005","90","","1863.7","0.7","143","1","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N4 O7 -","- C16 H22 N4 O7 -","- C64 H88 N16 O28 -","4","1","","Gary A. Molander; Shawn K. Pack","Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines","Journal of Organic Chemistry","2003","68","","9214","9220","10.1021/jo035205f","","","0.71069","MoKα","","0.1064","0.0827","","0.2314","0.2155","","","","1.061","1.141","1.141","","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022572","8.844","0.006","15.79","0.01","15.418","0.006","90","","98.12","0.02","90","","2131.6","0.2","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B F4 N3 O3 -","- C22 H22 B F4 N3 O3 -","- C88 H88 B4 F16 N12 O12 -","4","1","","Shin-ichi Naya; Yohei Yamaguchi; Makoto Nitta","Novel Synthesis, Properties, and Oxidizing Ability of 11,13-Disubstituted 3,8-Methanocycloundeca[8,9-b]pyrimido [5,4-d]-furan-12(11H),14(13H)-dionylium Tetrafluoroborates","Journal of Organic Chemistry","2003","68","","9284","9291","10.1021/jo035213w","","","0.7107","MoKα","","","0.053","","","","0.068","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022573","11.811","0.003","7.5016","0.0009","34.063","0.006","90","","94.85","0.02","90","","3007.2","1","173","","173","1","","","","","","","see text","4","I 1 2 1","I 2y","5","","","","- C25 H46 O6 Si2 -","- C25 H46 O6 Si2 -","- C100 H184 O24 Si8 -","4","1","","Michael Klein; Manfred Zabel; Günther Bernhardt; Burkhard König","Tetrahydroxy 10-Membered Cyclic Enediynes","Journal of Organic Chemistry","2003","68","","9379","9383","10.1021/jo035250n","","","0.71073","MoKα","","0.1614","0.105","","","0.2697","0.3159","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022574","17.849","0.0006","15.2803","0.0005","16.9591","0.0006","90","","117.337","0.001","90","","4108.8","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Cl N5 O7 -","- C40 H60 Cl N5 O7 -","- C160 H240 Cl4 N20 O28 -","4","1","","Joseph M. Mahoney; John P. Davis; Alicia M. Beatty; Bradley D. Smith","Molecular Recognition of Alkylammonium Contact Ion-Pairs Using a Ditopic Receptor","Journal of Organic Chemistry","2003","68","","9819","9820","10.1021/jo035270p","","","0.71073","MoKα","","0.0638","0.0504","","","0.1392","0.1489","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022575","21.567","0.003","6.2282","0.0008","9.5081","0.0008","90","","99.738","0.008","90","","1258.8","0.2","198.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.039","","","","0.124","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022576","9.275","0.001","10.594","0.002","8.616","0.001","99.65","0.01","99.2","0.01","99.13","0.01","808.7","0.2","198.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C34 H48 O10 -","2","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.042","","","","0.111","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022577","7.838","0.001","31.118","0.006","7.7767","0.0009","90","","45.306","0.008","90","","1348.3","0.4","198.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.071","","","","0.186","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022578","7.862","0.002","7.873","0.002","14.511","0.004","93.47","0.02","103.69","0.02","114.54","0.01","780.9","0.4","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 B F4 N2 O3 -","- C17 H13 B F4 N2 O3 -","- C34 H26 B2 F8 N4 O6 -","2","1","","Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta","Synthesis, Properties, and Oxidizing Ability of 9,11-Dimethylbenzocyclohepta[6,7-b]pyrimido[5,4-d]furan- 10(9H),12(11H)-dionylium Tetrafluoroborate","Journal of Organic Chemistry","2003","68","","9317","9321","10.1021/jo035274u","","","0.7107","MoKα","","","0.051","","","","0.063","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022579","7.3658","0.0005","13.203","0.001","13.713","0.002","90","","94.722","0.006","90","","1329","0.2","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methoxycarbonyl-4-methylene-3-p-nitrobenzylpyrazoline-1","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Masashi Hamaguchi; Masahiro Nakaishi; Toshikazu Nagai; Hatsue Tamura","Effects of an Electron-Withdrawing Group on Thermal Decomposition of 4-Alkylidene-1-pyrazolines: A Novel Stereoselective Formation of Alkylidenecyclopropane Due to Participation of π-Electrons on the Methylene Carbon in Decomposition","Journal of Organic Chemistry","2003","68","","9711","9722","10.1021/jo035321i","","","0.71069","MoKα","","0.094","0.0556","","","0.1417","0.1549","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022580","11.237","0.001","12.26","0.001","14.307","0.001","90","0.01","90","0.01","90","0.01","1971","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,5R,8R)-2-tert-Butyl-8-isopropyl-4,4-dimethyl-3-phenyl-1,6-dioxa-2,9- diazaspiro[4.4]nonane","","- C20 H32 N2 O2 -","- C20 H32 N2 O2 -","- C80 H128 N8 O8 -","4","1","","Renzo Luisi; Vito Capriati; Saverio Florio; Teresa Vista","New Synthesis of Optically Active 5-Isoxazolidinones and β-Amino Acids","Journal of Organic Chemistry","2003","68","","9861","9864","10.1021/jo035356i","","","0.71073","MoKα","","0.0396","0.0359","","","0.0976","0.1032","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022581","6.187","0.001","16.721","0.001","18.792","0.001","90","0.01","90","0.01","90","0.01","1944.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,3'R,4'S)-2-[2-tert-Butyl-3-(4-chlorophenyl)-4-methyl[1,2]oxazetidin-4-yl]- 4-isopropyl-4,5-dihydrooxazole","","- C19 H31 Cl N2 O2 -","- C19 H27 Cl N2 O2 -","- C76 H108 Cl4 N8 O8 -","4","1","","Renzo Luisi; Vito Capriati; Saverio Florio; Eliana Piccolo","Synthesis of Enantiomerically Enriched Oxazolinyl[1,2]Oxazetidines","Journal of Organic Chemistry","2003","68","","10187","10190","10.1021/jo035360u","","","0.71073","MoKα","","0.0508","0.0457","","","0.1361","0.1421","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022582","8.7232","0.0003","8.9406","0.0002","21.7964","0.0006","96.0857","0.0016","99.7545","0.0012","100.558","0.0016","1630.41","0.08","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H55 F12 N5 O14 P4 Pt2 S4 -","- C45 H55 F12 N5 O14 P4 Pt2 S4 -","- C45 H55 F12 N5 O14 P4 Pt2 S4 -","1","0.5","","Ki-Whan Chi; Chris Addicott; Atta M. Arif; Neeladri Das; Peter J. Stang","Bidentate Ligands Capable of Variable Bond Angles in the Self-Assembly of Discrete Supramolecules","Journal of Organic Chemistry","2003","68","","9798","9801","10.1021/jo0353785","","","0.71073","MoKα","","0.0472","0.0382","","","0.0824","0.087","","","","","","1.089","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022583","9.2673","0.001","11.443","0.001","14.65","0.002","85.49","0.05","89.08","0.05","76.81","0.05","1507.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 B N2 -","- C36 H39 B N2 -","- C72 H78 B2 N4 -","2","1","","Christine Goze; Gilles Ulrich; Raymond Ziessel","Tetrahedral Boron Chemistry for the Preparation of Highly Efficient ""Cascatelle"" Devices","Journal of Organic Chemistry","2007","72","","313","322","10.1021/jo060984w","","","0.71073","MoKα","","0.0951","0.0606","","","0.1666","0.1912","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022584","31.0049","0.0005","9.3906","0.0001","28.4999","0.0005","90","","108.753","0.005","90","","7857.4","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H43 B N2 -","- C54 H43 B N2 -","- C432 H344 B8 N16 -","8","1","","Christine Goze; Gilles Ulrich; Raymond Ziessel","Tetrahedral Boron Chemistry for the Preparation of Highly Efficient ""Cascatelle"" Devices","Journal of Organic Chemistry","2007","72","","313","322","10.1021/jo060984w","","","0.71073","Mo-Kα","","0.162","0.095","","0.214","","0.099","","","1.47","","","1.029","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022585","9.771","0.004","16.391","0.006","24.532","0.009","90","","90","","90","","3929","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl N8 O12 -","- C33 H47 Cl N8 O12 -","- C132 H188 Cl4 N32 O48 -","4","1","","Eric D. Miller; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Piperazimycins: Cytotoxic Hexadepsipeptides from a Marine-Derived Bacterium of the Genus Streptomyces","Journal of Organic Chemistry","2007","72","","323","330","10.1021/jo061064g","","","0.71073","MoKα","","0.1914","0.1539","","","0.3918","0.4114","","","","","","1.413","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022586","8.9139","0.0008","11.0167","0.0008","14.87","0.001","74.492","0.003","89.882","0.002","89.904","0.002","1407.1","0.2","113.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C35 H32 O5 -","- C35 H32 O5 -","- C70 H64 O10 -","2","2","","Toshiaki Shimasaki; Shin-ichiro Kato; Keiko Ideta; Kenta Goto; Teruo Shinmyozu","Synthesis and Structural and Photoswitchable Properties of Novel Chiral Host Molecules: Axis Chiral 2,2'-Dihydroxy-1,1'-binaphthyl-Appended stiff-Stilbene","Journal of Organic Chemistry","2007","72","","1073","1087","10.1021/jo061127v","","","0.7107","MoKα","","","0.044","","","","0.1176","","","","","","1.248","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022587","14.2464","0.0011","10.128","0.0007","19.6361","0.0016","90","","100.435","0.0019","90","","2786.4","0.4","113.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H88 O8 -","- C70 H68 O8 -","- C140 H136 O16 -","2","1","","Toshiaki Shimasaki; Shin-ichiro Kato; Keiko Ideta; Kenta Goto; Teruo Shinmyozu","Synthesis and Structural and Photoswitchable Properties of Novel Chiral Host Molecules: Axis Chiral 2,2'-Dihydroxy-1,1'-binaphthyl-Appended stiff-Stilbene","Journal of Organic Chemistry","2007","72","","1073","1087","10.1021/jo061127v","","","0.7107","MoKα","","","0.0722","","","","0.2043","","","","","","0.974","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022588","11.073","0.003","6.2528","0.0019","13.753","0.005","90","","96.555","0.014","90","","946","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N O4 -","- C21 H22 N O4 -","- C42 H44 N2 O8 -","2","1","","Jian-Liang Ye; Pei-Qiang Huang; Xin Lu","Mechanism for the Regioselective Asymmetric Addition of Grignard Reagents to Malimides: A Computational Exploration","Journal of Organic Chemistry","2007","72","","35","42","10.1021/jo0613683","","","0.71073","MoKα","","0.0809","0.0522","","","0.1195","0.1329","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022589","4.7318","0.0005","11.6928","0.0013","20.242","0.002","90","","90.192","0.002","90","","1120","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","p-Cresyl 2-O-benzyl-3,5-di-O-benzylidene-1-thio-/a/-D-arabinofuranoside","","- C26 H26 O4 S -","- C26 H26 O4 S -","- C52 H52 O8 S2 -","2","1","","David Crich; Christian Marcus Pedersen; Albert A. Bowers; Donald J. Wink","On the Use of 3,5-O-Benzylidene and 3,5-O-(Di-tert-butylsilylene)-2-O-benzylarabinothiofuranosides and Their Sulfoxides as Glycosyl Donors for the Synthesis of β-Arabinofuranosides: Importance of the Activation Method","Journal of Organic Chemistry","2007","72","","1553","1565","10.1021/jo061440x","","","0.71073","MoKα","","0.0769","0.0462","","","0.0752","0.0823","","","","","","0.856","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022590","6.5659","0.0019","8.378","0.002","37.112","0.003","90","","90","","90","","2041.5","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 O3 Si -","- C17 H32 O3 Si -","- C68 H128 O12 Si4 -","4","1","","Yang Li; Jian-Peng Feng; Wen-Hua Wang; Jie Chen; Xiao-Ping Cao","Total Synthesis and Correct Absolute Configuration of Malyngamide U","Journal of Organic Chemistry","2007","72","","2344","2350","10.1021/jo061456n","","","0.71073","MoKα","","0.1292","0.0588","","","0.1574","0.1994","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022591","8.178","0.008","10.255","0.009","15.209","0.01","84.98","0.05","83.95","0.05","87.84","0.05","1263","1.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","THYMIDIN02","3'-N-sulfamate analogue of Thymidylyl(3'-5')thymidine (Compound 1)","","- C20 H27 N5 O11 S -","- C20 H27 N5 O11 S -","- C40 H54 N10 O22 S2 -","2","2","","Céline Moriou; Martial Thomas; Marie-Thérèse Adeline; Marie-Thérèse Martin; Angèle Chiaroni; Sylvie Pochet; Jean-Louis Fourrey; Alain Favre; Pascale Clivio","Crystal Structure and Photochemical Behavior in Solution of the 3'-N-Sulfamate Analogue of Thymidylyl(3'-5')thymidine","Journal of Organic Chemistry","2007","72","","43","50","10.1021/jo061488a","","","0.71073","MoKα","","0.0809","0.057","","","0.0977","0.1057","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022592","18.7206","0.0003","10.7971","0.0002","14.0675","0.0002","90","","131.441","0.001","90","","2131.55","0.07","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Compound 13","4,4'-di-tert-butyl-o-terphenyl","","- C26 H30 -","- C26 H30 -","- C104 H120 -","4","0.5","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0529","0.0466","","","0.1277","0.1334","","","","","","1.047","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022593","12.6177","0.0003","10.3795","0.0003","30.5808","0.0008","90","","90","","90","","4005.03","0.18","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","Compound 14","2,11-di-tert-butyltriphenylene","","- C26 H28 -","- C26 H28 -","- C208 H224 -","8","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0722","0.0546","","","0.1357","0.1423","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022594","46.614","0.004","19.4909","0.0017","8.7318","0.0008","90","","95.801","0.002","90","","7892.6","1.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Compound 15","2,11-di-tert-butyltriphenylene-6,6'dimer","","- C52 H54 -","- C52 H54 -","- C416 H432 -","8","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.1116","0.1006","","","0.2843","0.2875","","","","","","1.077","","","","has coordinates,has disorder","178404","2020-10-21","18:00:00",""
"4022595","8.6605","0.0007","10.4742","0.0009","31.79","0.003","90","","90","","90","","2883.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Compound 17","2,7-dimethoxytriphenylene","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0482","0.0406","","","0.1132","0.1174","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022596","17.6107","0.0011","8.7374","0.0006","13.5527","0.0009","90","","120.615","0.001","90","","1794.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound 18","3,3'',5,5'' tetramethoxyorthoterphenyl","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","0.5","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0441","0.0424","","","0.1217","0.1238","","","","","","1.011","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022597","13.1978","0.0004","8.2816","0.0002","15.7125","0.0005","90","","96.601","0.001","90","","1705.97","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Compound 19","2,4,5,7-tetramethoxytriphenylene","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.047","0.0431","","","0.1229","0.1272","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022598","9.5585","0.0007","12.5269","0.001","13.6945","0.0011","100.386","0.002","101.97","0.001","108.123","0.001","1470.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Compound 21","1-(4-methoxyterphenyl)-2-methoxy triphenylene","","- C39 H30 Cl2 O2 -","- C39 H30 Cl2 O2 -","- C78 H60 Cl4 O4 -","2","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.072","0.0494","","","0.1311","0.1396","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022599","9.9015","0.0002","11.0754","0.0002","14.8755","0.0003","110.807","0.001","98.424","0.001","95.284","0.001","1490.01","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Compound 23","2,2'',4'3,2'5-tetramethoxy-1,1',2'1'',5'',1'3,3'3,1'4,2'4,1'5-sexiphenyl","","- C40 H34 O4 -","- C40 H34 O4 -","- C80 H68 O8 -","2","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.079","0.0474","","","0.108","0.1178","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022600","13.1711","0.0013","9.779","0.001","11.8797","0.0012","90","","100.312","0.002","90","","1505.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound 28","2,2""-dinitro-[1,1';2',1""]-terphenyl","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","0.5","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0563","0.0457","","","0.1225","0.1319","","","","","","1.039","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022601","16.6974","0.0009","9.9231","0.0006","10.2577","0.0006","90","","117.882","0.001","90","","1502.3","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound 29","3,3""-dinitro-[1,1';2',1""]-terphenyl","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","0.5","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0526","0.0476","","","0.1347","0.1383","","","","","","1.064","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022602","6.362","0.003","16.675","0.007","10.895","0.005","90","","94.64","0.04","90","","1152","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Guillaume Bélanger; Myriam April; Étienne Dauphin; Stéphanie Roy","Effect of Substitution on the Intramolecular 1,3-Dipolar Cycloaddition of Alkene Tethered Münchnones","Journal of Organic Chemistry","2007","72","","1104","1111","10.1021/jo061556t","","","0.71073","MoKα","","0.0621","0.0391","","","0.0925","0.1007","","","","","","1.04","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022603","20.05","0.001","20.05","0.001","7.09","0.002","90","","90","","90","","2850.1","0.8","198","2","198","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C16 H23 N O -","- C16 H23 N O -","- C128 H184 N8 O8 -","8","1","","Guillaume Bélanger; Myriam April; Étienne Dauphin; Stéphanie Roy","Effect of Substitution on the Intramolecular 1,3-Dipolar Cycloaddition of Alkene Tethered Münchnones","Journal of Organic Chemistry","2007","72","","1104","1111","10.1021/jo061556t","","x-ray","1.54176","cukα","","0.1763","0.0907","","","0.2324","0.2793","","","","","","0.969","","","","has coordinates,has disorder","189836","2020-10-21","18:00:00",""
"4022604","13.2339","0.0004","13.8249","0.0007","12.6481","0.0006","90","","116.948","0.005","90","","2062.8","0.2","174","","174","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B I N2 O2 -","- C21 H24 B I N2 O2 -","- C84 H96 B4 I4 N8 O8 -","4","1","","Chouaib Tahtaoui; Cécile Thomas; François Rohmer; Philippe Klotz; Guy Duportail; Yves Mély; Dominique Bonnet; Marcel Hibert","Convenient Method To Access New 4,4-Dialkoxy- and 4,4-Diaryloxy-diaza-s-indacene Dyes: Synthesis and Spectroscopic Evaluation","Journal of Organic Chemistry","2007","72","","269","272","10.1021/jo061567m","","","0.71073","Mo-Kα","","0.052","0.028","","0.078","","0.033","","","2.474","","","1.054","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022605","8.339","0.006","9.815","0.007","11.245","0.008","74.619","0.009","87.713","0.01","80.552","0.01","875.3","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C40 H32 N4 O6 S2 -","2","1","","Yunkou Wu; Xiaojun Peng; Jiangli Fan; Shang Gao; Maozhong Tian; Jianzhang Zhao; Shiguo Sun","Fluorescence Sensing of Anions Based on Inhibition of Excited-State Intramolecular Proton Transfer","Journal of Organic Chemistry","2007","72","","62","70","10.1021/jo061634c","","","0.71073","MoKα","","0.0392","0.0358","","","0.0996","0.1024","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022606","3.999","0.0004","11.1539","0.0011","12.225","0.001","71.924","0.005","89.51","0.008","81.01","0.005","511.55","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Lasri, Jamal; Charmier, M. Adília Januário; Haukka, Matti; Pombeiro, Armando J. L.","Stereospecific Synthesis of Polysubstituted E-Olefins by Reaction of Acyclic Nitrones with Free and Platinum(II) Coordinated Organonitriles","Journal of Organic Chemistry","2007","72","3","750","755","10.1021/jo061659b","","","0.71073","MoKα","","0.0638","0.0491","","","0.12","0.1322","","","","","","1.039","","","","has coordinates","275745","2022-06-02","09:28:25",""
"4022607","9.3767","0.0006","20.656","0.003","6.6342","0.0005","90","","92.122","0.005","90","","1284.1","0.2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl4 N4 O2 Pt -","- C22 H26 Cl4 N4 O2 Pt -","- C44 H52 Cl8 N8 O4 Pt2 -","2","0.5","","Lasri, Jamal; Charmier, M. Adília Januário; Haukka, Matti; Pombeiro, Armando J. L.","Stereospecific Synthesis of Polysubstituted E-Olefins by Reaction of Acyclic Nitrones with Free and Platinum(II) Coordinated Organonitriles","Journal of Organic Chemistry","2007","72","3","750","755","10.1021/jo061659b","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","275746","2022-06-02","10:18:49",""
"4022608","10.4913","0.0005","7.4193","0.0003","21.3289","0.001","90","","95.36","0.002","90","","1652.94","0.13","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C14 H22 N2 O6 -","- C14 H22 N2 O6 -","- C56 H88 N8 O24 -","4","1","","Mallem H. V. Ramana Rao; Eulàlia Pinyol; William D. Lubell","Rigid Dipeptide Mimics: Synthesis of Enantiopure C6-Functionalized Pyrrolizidinone Amino Acids","Journal of Organic Chemistry","2007","72","","736","743","10.1021/jo0616761","","","1.54178","CuKα","","0.0596","0.0411","","","0.1056","0.123","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022609","9.474","0.004","11.504","0.005","16.118","0.007","90","","90","","90","","1756.8","1.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R,S)-5h","(3R,6R,9S)-1-Aza-3-tert-butoxycarbonylamino-9-methoxycarbonyl- 5-oxa-2-oxobicyclo[4.3.0]nonane.","","- C14 H22 N2 O6 -","- C14 H22 N2 O6 -","- C56 H88 N8 O24 -","4","1","","Wen-Hua Chiou; Nobihiro Mizutani; Iwao Ojima","Highly Efficient Synthesis of Azabicyclo[x.y.0]alkane Amino Acids and Congeners by Means of Rh-Catalyzed Cyclohydrocarbonylation","Journal of Organic Chemistry","2007","72","","1871","1882","10.1021/jo061692y","","","0.71073","MoKα","","0.3102","0.0786","","","0.1768","0.2326","","","","","","0.678","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022610","8.856","0.0018","10.534","0.002","17.443","0.004","90","","90","","90","","1627.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S,R)-5h","(3S,6S,9R)-1-Aza-3-tert-butoxycarbonylamino-9-methoxycarbonyl- 5-oxa-2-oxobicyclo[4.3.0]nonane","","- C14 H22 N2 O6 -","- C14 H22 N2 O6 -","- C56 H88 N8 O24 -","4","1","","Wen-Hua Chiou; Nobihiro Mizutani; Iwao Ojima","Highly Efficient Synthesis of Azabicyclo[x.y.0]alkane Amino Acids and Congeners by Means of Rh-Catalyzed Cyclohydrocarbonylation","Journal of Organic Chemistry","2007","72","","1871","1882","10.1021/jo061692y","","","0.71073","MoKα","","0.2408","0.0522","","","0.0997","0.1337","","","","","","0.676","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022611","10.05","0.008","6.229","0.005","12.106","0.009","90","","101.78","0.013","90","","741.9","1","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S,S)-5j","(3S,6S,9S)-1-Aza-3-tert-butoxycarbonylamino-9-methyl- 5-oxa-2-oxobicyclo[4.3.0]nonane","","- C13 H21 N2 O4 -","- C13 H22 N2 O4 -","- C26 H44 N4 O8 -","2","1","","Wen-Hua Chiou; Nobihiro Mizutani; Iwao Ojima","Highly Efficient Synthesis of Azabicyclo[x.y.0]alkane Amino Acids and Congeners by Means of Rh-Catalyzed Cyclohydrocarbonylation","Journal of Organic Chemistry","2007","72","","1871","1882","10.1021/jo061692y","","","0.71073","MoKα","","0.189","0.1406","","","0.3364","0.372","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022612","12.907","0.003","17.163","0.003","13.244","0.003","90","","106.09","0.03","90","","2818.9","1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73 H78 Cl2 -","- C73 H78 Cl2 -","- C146 H156 Cl4 -","2","0.5","","Mihaiela Stuparu; Volker Gramlich; Amnon Stanger; A. Dieter Schlüter","Double-Stranded Cycles: Toward C~84~'s Belt Region","Journal of Organic Chemistry","2007","72","","424","430","10.1021/jo0617114","","","1.54178","CuKα","","0.1117","0.0611","","","0.1482","0.1905","","","","","","1.067","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022613","11.689","0.001","9.363","0.001","11.234","0.001","90","","99.153","0.007","90","","1213.8","0.2","296.2","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H31 Cl2 N3 Zn -","- C49 H61 Cl4 N5 Zn -","- C98 H122 Cl8 N10 Zn2 -","2","0.5","","Jun'ichi Uenishi; Sachiko Aburatani; Taro Takami","Stereocomplexity and Stereoselective Synthesis of Triamine Molecules Bearing Four Chiral Carbon Centers: Stereodifferentiated Preparation of All 10 Stereoisomers of 2,6-Bis[1-(1-phenylethylamino)ethyl]pyridines","Journal of Organic Chemistry","2007","72","","132","138","10.1021/jo061729e","","","1.5418","CuKα","","","0.0242","","","","0.0683","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022614","7.794","0.004","10.842","0.005","8.651","0.004","90","","115.448","0.007","90","","660.2","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O3 -","- C14 H15 Br O3 -","- C28 H30 Br2 O6 -","2","1","","Douglass F. Taber; Jiang-lin Liang","Single Enantiomer Epoxides by Bromomandelation of Prochiral Alkenes","Journal of Organic Chemistry","2007","72","","431","434","10.1021/jo061818r","","","0.71073","MoKα","","0.0315","0.0308","","","0.0797","0.0801","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022615","8.8455","0.0008","12.1404","0.0011","10.2121","0.0009","90","","101.764","0.001","90","","1073.62","0.17","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 F3 O4 -","- C23 H27 F3 O4 -","- C46 H54 F6 O8 -","2","1","","Takashi Nagamine; Kohei Inomata; Yasuyuki Endo; Leo A. Paquette","Amino Acid Mediated Intramolecular Asymmetric Aldol Reaction to Construct a New Chiral Bicyclic Enedione Containing a Seven-Membered Ring: Remarkable Inversion of Enantioselectivity Compared to the Six-Membered Ring","Journal of Organic Chemistry","2007","72","","123","131","10.1021/jo061824n","","","0.71073","MoKα","","0.0296","0.0279","","","0.0713","0.0721","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022616","17.339","0.001","19.36","0.002","17.462","0.002","90","","117.007","0.003","90","","5222.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N7 O2 -","- C11 H15 N7 O2 -","- C176 H240 N112 O32 -","16","4","","Ali Asadi; Brian O. Patrick; David M. Perrin","Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures","Journal of Organic Chemistry","2007","72","","466","475","10.1021/jo061840k","","","0.71069","MoKα","","0.1103","0.0617","","","0.1549","0.1847","","","","","","1.026","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4022617","6.3387","0.0007","9.724","0.001","15.889","0.002","84.087","0.007","79.926","0.007","88.509","0.006","959.1","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H24 N6 O6 -","- C15 H24 N6 O6 -","- C30 H48 N12 O12 -","2","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures","Journal of Organic Chemistry","2007","72","","466","475","10.1021/jo061840k","","","0.71073","MoKα","","0.1016","0.0664","","","0.2038","0.2326","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022618","29.633","0.002","17.158","0.001","12.5526","0.0009","90","","90","","90","","6382.3","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H38 Cl2 N10 O10 -","- C25.3345 H36.668 Cl0.99 N10 O10 -","- C202.676 H293.344 Cl7.92 N80 O80 -","8","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures","Journal of Organic Chemistry","2007","72","","466","475","10.1021/jo061840k","","","0.71069","MoKα","","0.1957","0.1001","","","0.2299","0.276","","","","","","1.075","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022619","7.0091","0.0006","20.9279","0.0019","7.8304","0.0006","90","","103.635","0.003","90","","1116.24","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures","Journal of Organic Chemistry","2007","72","","466","475","10.1021/jo061840k","","","0.71073","MoKα","","0.0522","0.046","","","0.1247","0.1298","","","","","","1.045","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022620","10.2805","0.0005","8.8859","0.0004","15.8645","0.0006","90","","91.645","0.003","90","","1448.65","0.11","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C11 H13 N3 O2 S2 -","- C11.98 H9.325 N3.5 O2 S2 -","- C47.92 H37.3 N14 O8 S8 -","4","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures","Journal of Organic Chemistry","2007","72","","466","475","10.1021/jo061840k","","","0.71073","MoKα","","0.0566","0.0464","","","0.1219","0.1299","","","","","","1.035","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022621","27.312","0.002","8.6717","0.0005","15.2589","0.0008","90","","113.221","0.001","90","","3321.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N4 O4 S -","- C14 H20 N4 O4 S -","- C112 H160 N32 O32 S8 -","8","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","Janus-AT Bases: Synthesis, Self-Assembly, and Solid State Structures","Journal of Organic Chemistry","2007","72","","466","475","10.1021/jo061840k","","","0.71069","MoKα","","0.0506","0.0403","","","0.1122","0.1192","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022622","8.2512","0.0007","9.1811","0.0009","10.7071","0.001","111.582","0.005","92.748","0.005","107.574","0.005","707.39","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 S2 -","- C15 H22 S2 -","- C30 H44 S4 -","2","1","","Mingqian He; Feixia Zhang","Synthesis and Structure of Alkyl-Substituted Fused Thiophenes Containing up to Seven Rings","Journal of Organic Chemistry","2007","72","","442","451","10.1021/jo061853y","","","0.71073","MoKα","","0.0418","0.0299","","","0.0842","0.089","","","","","","0.998","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022623","34.99","0.002","6.9313","0.0004","12.8425","0.0008","90","","93.083","0.004","90","","3110.1","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 S5 -","- C32 H44 S5 -","- C128 H176 S20 -","4","0.5","","Mingqian He; Feixia Zhang","Synthesis and Structure of Alkyl-Substituted Fused Thiophenes Containing up to Seven Rings","Journal of Organic Chemistry","2007","72","","442","451","10.1021/jo061853y","","","0.71073","MoKα","","0.0493","0.0355","","","0.0966","0.1052","","","","","","1.037","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022624","7.7717","0.0016","9.131","0.0018","11.152","0.002","104.5","0.03","106.54","0.03","96.84","0.03","718.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C34 H32 O4 S2 -","2","1","","Lingling Peng; Xiu Zhang; Shiwei Zhang; Jianbo Wang","Au-Catalyzed Reaction of Propargylic Sulfides and Dithioacetals","Journal of Organic Chemistry","2007","72","","1192","1197","10.1021/jo0618674","","","0.71073","MoKα","","0.0755","0.0559","","","0.1653","0.1767","","","","","","1.111","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022625","7.0996","0.0008","10.1818","0.0011","13.5661","0.0014","81.598","0.008","81.18","0.008","69.988","0.008","905.9","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C48 H40 N4 O4 -","2","1","","Elizabeth Malamidou-Xenikaki; Spyros Spyroudis; Maria Tsanakopoulou; Harald Krautscheid","Reactivity of Indanedioneketene Dimer with Amines","Journal of Organic Chemistry","2007","72","","502","508","10.1021/jo061879p","","","0.71073","MoKα","","0.0571","0.0469","","","0.1227","0.1294","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022626","7.3809","0.0004","12.7529","0.0008","22.3545","0.0015","90","","91.037","0.008","90","","2103.8","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N O6 -","- C27 H17 N O6 -","- C108 H68 N4 O24 -","4","1","","Elizabeth Malamidou-Xenikaki; Spyros Spyroudis; Maria Tsanakopoulou; Harald Krautscheid","Reactivity of Indanedioneketene Dimer with Amines","Journal of Organic Chemistry","2007","72","","502","508","10.1021/jo061879p","","","0.71073","MoKα","","0.0541","0.0308","","","0.0704","0.0742","","","","","","0.814","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022627","9.25","","13.014","","12.342","","90","","103.11","","90","","1447","","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H40 B N2 O2 P -","- C29 H40 B N2 O2 P -","- C58 H80 B2 N4 O4 P2 -","2","1","","Marek Stankevič; K. Michał Pietrusiewicz","Resolution and Stereochemistry of tert-Butylphenylphosphinous Acid-Borane","Journal of Organic Chemistry","2007","72","","816","822","10.1021/jo061896e","","","1.54184","CuKα","","0.0461","0.0461","","","0.1274","0.1274","","","","","","1.058","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022628","11.0128","0.0011","9.9609","0.001","18.4801","0.0018","90","","102.407","0.002","90","","1979.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl -","- C25 H21 Cl -","- C100 H84 Cl4 -","4","1","","Yun-Peng Zhang; Jian-Mei Lu; Guang-Cai Xu; Min Shi","Lewis-Acid-Catalyzed Rearrangement of Arylvinylidenecyclopropanes: Significant Influence of Substituents and Electronic Nature of Aryl Groups","Journal of Organic Chemistry","2007","72","","509","516","10.1021/jo061899r","","","0.71073","MoKα","","0.1408","0.0456","","","0.0972","0.117","","","","","","0.729","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022629","12.8662","0.0004","13.0458","0.0004","13.6776","0.0004","74.466","0.002","68.535","0.002","82.989","0.002","2057.77","0.11","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H59 N7 O5 -","- C39 H59 N7 O5 -","- C78 H118 N14 O10 -","2","1","","Monika Mazik; Hüseyin Cavga","Molecular Recognition of N-Acetylneuraminic Acid with Acyclic Benzimidazolium- and Aminopyridine/guanidinium-Based Receptors","Journal of Organic Chemistry","2007","72","","831","838","10.1021/jo061901e","","","0.71073","MoKα","","0.0732","0.0478","","","0.1075","0.1204","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022630","5.2387","0.0007","34.215","0.005","6.2694","0.0008","90","","109.54","0.003","90","","1059","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","gamma-lactones","","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","","Md. Merajuddin Baag; Vedavati G. Puranik; Narshinha P. Argade","Facile Chemo-, Regio-, and Diastereoselective Approach to cis-3,5-Disubstituted γ-Butyrolactones and Fused γ-Butyrolactones","Journal of Organic Chemistry","2007","72","","1009","1012","10.1021/jo0619128","","","0.71073","MoKα","","0.1258","0.0807","","","0.1436","0.1595","","","","","","1.159","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022631","8.4006","0.0006","16.4634","0.0012","10.1115","0.0008","90","","113.356","0.001","90","","1283.86","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","gamma-lactones","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","2","","Md. Merajuddin Baag; Vedavati G. Puranik; Narshinha P. Argade","Facile Chemo-, Regio-, and Diastereoselective Approach to cis-3,5-Disubstituted γ-Butyrolactones and Fused γ-Butyrolactones","Journal of Organic Chemistry","2007","72","","1009","1012","10.1021/jo0619128","","","0.71073","MoKα","","0.1158","0.0672","","","0.1493","0.1711","","","","","","0.924","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022632","6.5347","0.0006","7.0844","0.0007","11.655","0.0011","90","","96.388","0.007","90","","536.21","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 F2 N2 O4 -","- C10 H10 F2 N2 O4 -","- C20 H20 F4 N4 O8 -","2","1","","Ireneusz Nowak; John F. Cannon; Morris J. Robins","Addition of Difluorocarbene to 3',4'-Unsaturated Nucleosides: Synthesis of 2'-Deoxy Analogues with a 2-Oxabicyclo[3.1.0]hexane Framework","Journal of Organic Chemistry","2007","72","","532","537","10.1021/jo061965p","","","0.71073","MoKα","","0.0419","0.0349","","","0.085","0.0883","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022633","6.4528","0.0005","9.5514","0.0007","20.5093","0.0018","90","","90","","90","","1264.06","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br F2 N3 O3 -","- C10 H12 Br F2 N3 O3 -","- C40 H48 Br4 F8 N12 O12 -","4","1","","Ireneusz Nowak; John F. Cannon; Morris J. Robins","Addition of Difluorocarbene to 3',4'-Unsaturated Nucleosides: Synthesis of 2'-Deoxy Analogues with a 2-Oxabicyclo[3.1.0]hexane Framework","Journal of Organic Chemistry","2007","72","","532","537","10.1021/jo061965p","","","0.71073","MoKα","","0.0563","0.0437","","","0.1046","0.1122","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022634","26.324","0.005","11.919","0.001","17.271","0.003","90","","92.69","0.01","90","","5413","1","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H43 N O3 -","- C26 H43 N O3 -","- C208 H344 N8 O24 -","8","1","","Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene","1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives","Journal of Organic Chemistry","2007","72","","485","493","10.1021/jo061976i","","","1.5418","CuKα","","0.0692","0.0692","","0.1155","","0.1155","","","1.977","","","1.977","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022635","11.4084","0.0009","13.9228","0.0004","18.075","0.001","90","","90","","90","","2870.9","0.2","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H47 N O3 -","- C27 H47 N O3 -","- C108 H188 N4 O12 -","4","1","","Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene","1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives","Journal of Organic Chemistry","2007","72","","485","493","10.1021/jo061976i","","","0.7107","MoKα","","0.0701","0.0701","","0.0822","","0.0822","","","1.887","","","1.887","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022636","8.199","0.002","16.132","0.003","19.52","0.004","90","","91.19","0.02","90","","2581.2","0.8","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H45 N O3 -","- C26 H45 N O3 -","- C104 H180 N4 O12 -","4","1","","Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene","1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives","Journal of Organic Chemistry","2007","72","","485","493","10.1021/jo061976i","","","1.5418","CuKα","","0.0617","0.0617","","0.0779","","0.0779","","","1.988","","","1.988","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022637","10.859","0.008","24.85","0.02","10.985","0.003","90","","112.56","0.04","90","","2737","3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H45 N O3 -","- C26 H45 N O3 -","- C104 H180 N4 O12 -","4","1","","Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene","1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives","Journal of Organic Chemistry","2007","72","","485","493","10.1021/jo061976i","","","1.5418","CuKα","","0.0767","0.0767","","0.117","","0.117","","","1.979","","","1.979","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022638","9.927","0.003","31.615","0.01","12.614","0.004","90","","108.654","0.006","90","","3751","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H6 O S4 -","- C70 H6 O S4 -","- C280 H24 O4 S16 -","4","1","","Shih-Ching Chuang; Michael Sander; Thibaut Jarrosson; Scott James; Eugene Rozumov; Saeed I. Khan; Yves Rubin","Approaches to Open Fullerenes: Synthesis and Kinetic Stability of Diels-Alder Adducts of Substituted Isobenzofurans and C~60~","Journal of Organic Chemistry","2007","72","","2716","2723","10.1021/jo061986j","","","0.71073","MoKα","","0.059","0.0395","","","0.1008","0.1099","","","","","","1.051","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022639","20.31","0.004","20.105","0.003","27.042","0.005","90","","99.637","0.003","90","","10887","3","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C391 H66 Cl18 O10 -","- C391 H66 Cl18 O10 -","- C782 H132 Cl36 O20 -","2","0.5","","Michael Sander; Thibaut Jarrosson; Shih-Ching Chuang; Saeed I. Khan; Yves Rubin","Approaches to Open Fullerenes: Synthesis and Thermal Stability of cis-1 Bis(isobenzofuran) Diels-Alder Adducts of C~60~","Journal of Organic Chemistry","2007","72","","2724","2731","10.1021/jo061987b","","","0.71073","MoKα","","0.1476","0.0569","","","0.1129","0.1396","","","","","","0.883","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022640","8.7136","0.0008","17.8622","0.0016","16.2167","0.0015","90","","101.555","0.002","90","","2472.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C112 H136 N16 O8 -","4","2","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.0819","0.0525","","","0.1298","0.1529","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022641","7.989","0.0005","8.2057","0.0005","26.808","0.0017","87.394","0.001","88.309","0.001","72.692","0.001","1675.86","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H44 N6 O3 -","- C37 H44 N6 O3 -","- C74 H88 N12 O6 -","2","1","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.0667","0.0444","","","0.0979","0.1053","","","","","","0.956","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022642","22.896","0.008","7.392","0.003","13.105","0.005","90","","110.634","0.005","90","","2075.5","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","0.5","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.0448","0.0366","","","0.0988","0.1016","","","","","","1.082","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022643","13.3864","0.0019","8.7037","0.0013","23.48","0.003","90","","95.709","0.002","90","","2722.2","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 N4 O2 -","- C30 H38 N4 O2 -","- C120 H152 N16 O8 -","4","0.5","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.059","0.0426","","","0.1003","0.1056","","","","","","0.974","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022644","13.691","0.014","46.59","0.05","8.981","0.009","90","","90","","90","","5729","10","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H42 N4 O2 -","- C32 H42 N4 O2 -","- C256 H336 N32 O16 -","8","0.5","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.1313","0.0989","","","0.2481","0.2718","","","","","","1.043","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022645","17.549","0.002","6.9388","0.0009","21.924","0.003","90","","90","","90","","2669.7","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H38 N4 O2 -","- C30 H38 N4 O2 -","- C120 H152 N16 O8 -","4","1","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.1902","0.0507","","","0.0648","0.0939","","","","","","0.602","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022646","21.969","0.017","6.777","0.005","17.569","0.011","90","","111.03","0.06","90","","2442","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C112 H136 N16 O8 -","4","0.5","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.0697","0.0621","","","0.1929","0.205","","","","","","1.11","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022647","14.7672","0.0017","7.5714","0.0009","21.772","0.003","90","","103.97","0.002","90","","2362.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O7 -","- C25 H25 N3 O7 -","- C100 H100 N12 O28 -","4","1","","Hui-Ping Yi; Jiang Wu; Kui-Ling Ding; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonding-Induced Aromatic Oligoamide Foldamers as Spherand Analogues to Accelerate the Hydrolysis of Nitro-Substituted Anisole in Aqueous Media","Journal of Organic Chemistry","2007","72","","870","877","10.1021/jo0619940","","","0.71073","MoKα","","0.0981","0.0479","","","0.0987","0.1096","","","","","","0.79","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022648","6.922","0.0007","24.095","0.002","8.9581","0.0008","90","","110.844","0.002","90","","1396.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Hui-Ping Yi; Jiang Wu; Kui-Ling Ding; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonding-Induced Aromatic Oligoamide Foldamers as Spherand Analogues to Accelerate the Hydrolysis of Nitro-Substituted Anisole in Aqueous Media","Journal of Organic Chemistry","2007","72","","870","877","10.1021/jo0619940","","","0.71073","MoKα","","0.0704","0.0482","","","0.1219","0.1326","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022649","8.0199","0.0015","24.58","0.005","11.3","0.002","90","","90.1","0.005","90","","2227.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N3 O7 -","- C24 H23 N3 O7 -","- C96 H92 N12 O28 -","4","1","","Hui-Ping Yi; Jiang Wu; Kui-Ling Ding; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonding-Induced Aromatic Oligoamide Foldamers as Spherand Analogues to Accelerate the Hydrolysis of Nitro-Substituted Anisole in Aqueous Media","Journal of Organic Chemistry","2007","72","","870","877","10.1021/jo0619940","","","0.71073","MoKα","","0.1668","0.0516","","","0.0901","0.1224","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022650","16.6121","0.0008","16.6121","0.0008","25.705","0.002","90","","90","","120","","6143.3","0.7","163","2","163","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H24 O3 -","- C13 H24 O3 -","- C234 H432 O54 -","18","1","","Stacie A. Calad; Jelena Ćirakovč; K. A. Woerpel","Synthesis of (\±)-epi-Stegobinone Utilizing Silacyclopropanes as Synthetic Intermediates","Journal of Organic Chemistry","2007","72","","1027","1030","10.1021/jo0620011","","","0.71073","MoKα","","0.0423","0.0359","","","0.0963","0.1043","","","","","","1.056","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022651","3.5647","0.0008","10.192","0.002","10.679","0.002","109.196","0.004","98.77","0.004","95.216","0.004","357.98","0.14","93","2","93","2","","","100","","","","Isolated by Reinheimer et al. from the reaction of 2-chloro-3-nitropyridine and two equivalents of hydroxide","5","P -1","-P 1","2","","3-pentenenitrile, 2-nitro-5-oxo-, ion(-1), sodium","","- C5 H5 N2 Na O4 -","- C5 H5 N2 Na O4 -","- C10 H10 N4 Na2 O8 -","2","1","","LeRoy W. Haynes; Virginia B. Pett","Structures of the Intermediates Formed in the Ring-Opening Reaction of 2-Chloro-3-nitropyridine","Journal of Organic Chemistry","2007","72","","633","635","10.1021/jo062003l","","x-ray","0.71073","MoKα","","0.08","0.0528","","","0.1243","0.1357","","","","","","1.074","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022652","7.1454","0.0001","6.9176","0.0001","10.0029","0.0002","90","","98.292","0.001","90","","489.265","0.014","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Br N O3 -","- C10 H8 Br N O3 -","- C20 H16 Br2 N2 O6 -","2","1","","Aitor Landa; Bo Richter; Rasmus Lyng Johansen; Anna Minkkilä; Karl Anker Jørgensen","Bisoxazoline-Lewis Acid-Catalyzed Direct-Electron Demand oxo-Hetero-Diels-Alder Reactions of N-Oxy-pyridine Aldehyde and Ketone Derivatives","Journal of Organic Chemistry","2007","72","","240","245","10.1021/jo062012u","","x-ray","0.71073","MoKα","","0.0342","0.0274","","","0.0494","0.0508","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022653","8.7776","0.0004","19.952","0.005","16.671","0.001","90","","90.949","0.005","90","","2919.3","0.8","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F6 O2 S3 -","- C32 H22 F6 O2 S3 -","- C128 H88 F24 O8 S12 -","4","1","","Tomoyuki Okuyama; Yutaka Tani; Kentaro Miyake; Yasushi Yokoyama","Chiral Helicenoid Diarylethene with Large Change in Specific Optical Rotation by Photochromism","Journal of Organic Chemistry","2007","72","","1634","1638","10.1021/jo0620213","","","1.5418","CuKα","","","0.0668","","","","0.2146","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022654","11.016","0.002","24.201","0.003","11.349","0.002","90","","109.05","0.01","90","","2860","0.8","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H18 F6 S4 -","- C35 H18 F6 S4 -","- C140 H72 F24 S16 -","4","1","","Tomoyuki Okuyama; Yutaka Tani; Kentaro Miyake; Yasushi Yokoyama","Chiral Helicenoid Diarylethene with Large Change in Specific Optical Rotation by Photochromism","Journal of Organic Chemistry","2007","72","","1634","1638","10.1021/jo0620213","","","0.7107","MoKα","","","0.062","","","","0.2215","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022655","12.1162","0.0019","7.5984","0.0012","15.339","0.003","90","","110.262","0.003","90","","1324.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 F2 O6 -","- C12 H16 F2 O6 -","- C48 H64 F8 O24 -","4","1","","Jonathan A. L. Miles; Lisa Mitchell; Jonathan M. Percy; Kuldip Singh; E. Uneyama","Total Syntheses of Conformationally Locked Difluorinated Pentopyranose Analogues and a Pentopyranosyl Phosphate Mimetic","Journal of Organic Chemistry","2007","72","","1575","1587","10.1021/jo0620258","","","0.71073","MoKα","","0.0542","0.0428","","","0.0978","0.1034","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4022656","9.9359","0.0015","11.1641","0.0017","13.13","0.002","78.181","0.003","86.925","0.003","88.75","0.003","1423.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 F2 O4 -","- C15 H18 F2 O4 -","- C60 H72 F8 O16 -","4","2","","Jonathan A. L. Miles; Lisa Mitchell; Jonathan M. Percy; Kuldip Singh; E. Uneyama","Total Syntheses of Conformationally Locked Difluorinated Pentopyranose Analogues and a Pentopyranosyl Phosphate Mimetic","Journal of Organic Chemistry","2007","72","","1575","1587","10.1021/jo0620258","","","0.71073","MoKα","","0.1002","0.0571","","","0.0924","0.1055","","","","","","0.959","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4022657","7.24","0.002","9.607","0.003","13.226","0.004","98.732","0.005","102.59","0.005","100.713","0.005","864.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 F2 O5 -","- C18 H22 F2 O5 -","- C36 H44 F4 O10 -","2","1","","Jonathan A. L. Miles; Lisa Mitchell; Jonathan M. Percy; Kuldip Singh; E. Uneyama","Total Syntheses of Conformationally Locked Difluorinated Pentopyranose Analogues and a Pentopyranosyl Phosphate Mimetic","Journal of Organic Chemistry","2007","72","","1575","1587","10.1021/jo0620258","","","0.71073","MoKα","","0.0554","0.0455","","","0.1179","0.124","","","","","","1.018","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4022658","15.5415","0.0019","6.6332","0.0008","13.9404","0.0017","90","","106.126","0.002","90","","1380.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F2 O4 -","- C15 H18 F2 O4 -","- C60 H72 F8 O16 -","4","1","","Jonathan A. L. Miles; Lisa Mitchell; Jonathan M. Percy; Kuldip Singh; E. Uneyama","Total Syntheses of Conformationally Locked Difluorinated Pentopyranose Analogues and a Pentopyranosyl Phosphate Mimetic","Journal of Organic Chemistry","2007","72","","1575","1587","10.1021/jo0620258","","","0.71073","MoKα","","0.105","0.0514","","","0.0661","0.0785","","","","","","0.844","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022659","10.3624","0.0014","6.6363","0.0009","11.0444","0.0015","90","","112.613","0.002","90","","701.11","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 F2 O4 -","- C15 H18 F2 O4 -","- C30 H36 F4 O8 -","2","1","","Jonathan A. L. Miles; Lisa Mitchell; Jonathan M. Percy; Kuldip Singh; E. Uneyama","Total Syntheses of Conformationally Locked Difluorinated Pentopyranose Analogues and a Pentopyranosyl Phosphate Mimetic","Journal of Organic Chemistry","2007","72","","1575","1587","10.1021/jo0620258","","","0.71073","MoKα","","0.0561","0.0406","","","0.0586","0.0622","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022660","10.209","0.002","9.5116","0.0018","11.486","0.002","90","","95.826","0.003","90","","1109.6","0.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 Br N3 O5 -","- C19 H26 Br N3 O5 -","- C38 H52 Br2 N6 O10 -","2","1","","Pranjal K. Baruah; N. K. Sreedevi; Rajesh Gonnade; Sapna Ravindranathan; Krishnan Damodaran; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Enforcing Periodic Secondary Structures in Hybrid Peptides: A Novel Hybrid Foldamer Containing Periodic γ-Turn Motifs","Journal of Organic Chemistry","2007","72","","636","639","10.1021/jo062032w","","","0.71073","MoKα","","0.0567","0.0418","","","0.0961","0.1032","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022661","8.387","0.003","8.079","0.003","14.455","0.005","90","","103.605","0.007","90","","952","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C40 H36 O16 -","2","1","","Sengodagounder Muthusamy; Boopathy Gnanaprakasam; Eringathodi Suresh","New Approach to the Synthesis of Macrocyclic Tetralactones via Ring-Closing Metathesis Using Grubbs' First-Generation Catalyst","Journal of Organic Chemistry","2007","72","","1495","1498","10.1021/jo062043p","","","0.71073","MoKα","","0.1524","0.0718","","","0.1406","0.1725","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022662","13.988","0.009","7.942","0.005","21.663","0.013","90","","94.826","0.014","90","","2398","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O8 -","- C28 H22 O8 -","- C112 H88 O32 -","4","1","","Sengodagounder Muthusamy; Boopathy Gnanaprakasam; Eringathodi Suresh","New Approach to the Synthesis of Macrocyclic Tetralactones via Ring-Closing Metathesis Using Grubbs' First-Generation Catalyst","Journal of Organic Chemistry","2007","72","","1495","1498","10.1021/jo062043p","","","0.71073","MoKα","","0.1697","0.0865","","","0.1936","0.2438","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022663","8.257","0.005","15.255","0.01","16.79","0.011","90","","90","","90","","2115","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 S2 -","- C23 H24 O3 S2 -","- C92 H96 O12 S8 -","4","1","","Yolanda Arroyo; J. Félix Rodríguez; Mercedes Santos; M. Ascensión Sanz Tejedor; José Luis García Ruano","Asymmetric Synthesis of β-Hydroxy Sulfides Controlled by Remote Sulfoxides","Journal of Organic Chemistry","2007","72","","1035","1038","10.1021/jo062053q","","","0.71073","MoKα","","0.0377","0.0326","","","0.0842","0.0867","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022664","11.194","0.002","8.995","0.002","17.869","0.003","90","","92.509","0.01","90","","1797.5","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Paquette 1500","","","- C38 H54 O4 Si -","- C38 H54 O4 Si -","- C76 H108 O8 Si2 -","2","1","","Leo A. Paquette; Yang Hu; Andreas Luxenburger; Raynauld L. Bishop","Studies toward the Total Synthesis of Dumsin. 2. A Second Generation Approach Resulting in Enantioselective Construction of a Functionalized ABC Subunit of the Tetranortriterpenoid Insect Antifeedant","Journal of Organic Chemistry","2007","72","","209","222","10.1021/jo062068o","","x-ray","0.71073","MoKα","","0.0711","0.0522","","","0.1256","0.1362","","","","","","1.041","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022665","11.408","0.004","6.736","0.002","12.4","0.004","90","","107.562","0.005","90","","908.5","0.5","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C42 H50 N2 O4 -","2","1","","Laura J. Marshall; Mark D. Roydhouse; Alexandra M. Z. Slawin; John C. Walton","Effect of Chain Length on Radical to Carbanion Cyclo-Coupling of Bromoaryl Alkyl-Linked Oxazolines: 1,3-Areneotropic Migration of Oxazolines","Journal of Organic Chemistry","2007","72","","898","911","10.1021/jo0620720","","","0.71073","MoKα","","0.1311","0.0625","","","0.1111","0.1293","","","","","","0.886","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022666","8.588","0.002","10.0389","0.0019","10.8881","0.0013","115.888","0.016","98.06","0.02","92.69","0.02","830","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","1","","Laura J. Marshall; Mark D. Roydhouse; Alexandra M. Z. Slawin; John C. Walton","Effect of Chain Length on Radical to Carbanion Cyclo-Coupling of Bromoaryl Alkyl-Linked Oxazolines: 1,3-Areneotropic Migration of Oxazolines","Journal of Organic Chemistry","2007","72","","898","911","10.1021/jo0620720","","","0.71073","MoKα","","0.0519","0.0462","","","0.1198","0.1257","","","","","","1.074","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022667","12.9895","0.0012","11.579","0.001","11.5517","0.0011","90","","93.777","0.003","90","","1733.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Laura J. Marshall; Mark D. Roydhouse; Alexandra M. Z. Slawin; John C. Walton","Effect of Chain Length on Radical to Carbanion Cyclo-Coupling of Bromoaryl Alkyl-Linked Oxazolines: 1,3-Areneotropic Migration of Oxazolines","Journal of Organic Chemistry","2007","72","","898","911","10.1021/jo0620720","","","1.54178","CuKα","","0.0481","0.0406","","","0.0939","0.0982","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022668","7.2553","0.0003","18.2486","0.0006","25.7308","0.0009","90","","90","","90","","3406.7","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Laura J. Marshall; Mark D. Roydhouse; Alexandra M. Z. Slawin; John C. Walton","Effect of Chain Length on Radical to Carbanion Cyclo-Coupling of Bromoaryl Alkyl-Linked Oxazolines: 1,3-Areneotropic Migration of Oxazolines","Journal of Organic Chemistry","2007","72","","898","911","10.1021/jo0620720","","","1.54178","CuKα","","0.0455","0.0446","","","0.1162","0.1174","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022669","7.9324","0.0007","10.3812","0.0009","10.6069","0.0009","90","","96.848","0.002","90","","867.22","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3B-acetoxy-4A,5A,7A,11B-H-eudesman-6A,12-diyl-S(R)-cyclic-sulfite","","- C17 H28 O5 S -","- C17 H28 O5 S -","- C34 H56 O10 S2 -","2","1","","Andrés García-Granados; Andrés Parra; Francisco Rivas; Alejandro J. Segovia","Seven-Membered Cyclic Sulfite Eudesmane Derivatives: Partial Synthesis, Structural Determination, and Enzymatic Resolution","Journal of Organic Chemistry","2007","72","","643","646","10.1021/jo0620866","","","0.71073","MoKα","","0.0392","0.0375","","","0.0925","0.0943","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022670","8.6727","0.0005","9.3435","0.0005","11.1483","0.0006","90","","91.375","0.001","90","","903.12","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3B-acetoxy-4A,5A,7A,11B-H-eudesman-6A,12-diyl-S(S)-cyclic-sulfite","","- C17 H28 O5 S -","- C17 H28 O5 S -","- C34 H56 O10 S2 -","2","1","","Andrés García-Granados; Andrés Parra; Francisco Rivas; Alejandro J. Segovia","Seven-Membered Cyclic Sulfite Eudesmane Derivatives: Partial Synthesis, Structural Determination, and Enzymatic Resolution","Journal of Organic Chemistry","2007","72","","643","646","10.1021/jo0620866","","","0.71073","MoKα","","0.0423","0.0414","","","0.1107","0.1116","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022671","17.308","0.004","7.7442","0.0015","7.4721","0.0015","90","","90","","90","","1001.5","0.3","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8.5 H11 Cl N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Nanyan Fu; Annette D. Allen; Shinjiro Kobayashi; Thomas T. Tidwell; Sinisa Vukovic; Selvananthan Arumugam; Vladimir V. Popik; Masaaki Mishima","Amino Substituted Bisketenes: Generation, Structure, and Reactivity","Journal of Organic Chemistry","2007","72","","1951","1956","10.1021/jo062090h","","","0.71073","MoKα","","0.1289","0.1131","","","0.2972","0.3128","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022672","6.576","0.004","7.356","0.004","26.19","0.02","90","","90","","90","","1266.6","1.3","193.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Yoshihito Kayaki; Masafumi Yamamoto; Takao Ikariya","Stereoselective Formation of α-Alkylidene Cyclic Carbonates via Carboxylative Cyclization of Propargyl Alcohols in Supercritical Carbon Dioxide","Journal of Organic Chemistry","2007","72","","647","649","10.1021/jo062094m","","","0.7107","MoKα","","","0.057","","","","0.203","","","","","","0.947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022673","5.6636","0.0006","17.462","0.0017","16.2007","0.0013","90","","101.992","0.008","90","","1567.2","0.3","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 1","","","- C19 H16 Br O P -","- C19 H16 Br O P -","- C76 H64 Br4 O4 P4 -","4","1","","Sean P. Bew; Rebecca A. Brimage; David L. Hughes; Laurent Legentil; Sunil V. Sharma; Martin A. Wilson","Expedient Synthesis of Substituted (Diphenylphosphinoylmethyl)benzenes","Journal of Organic Chemistry","2007","72","","2655","2658","10.1021/jo062114k","","","0.71073","Mo-Kα","","0.0443","0.0277","","","0.0659","0.069","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022674","10.7984","0.0008","11.0899","0.0015","12.0246","0.0014","100.058","0.01","94.189","0.008","114.106","0.01","1277.4","0.2","140","1","140","1","","","","","","","","4","P -1","-P 1","2","Compound 5","","","- C32 H28 O2 P2 -","- C32 H28 O2 P2 -","- C64 H56 O4 P4 -","2","1","","Sean P. Bew; Rebecca A. Brimage; David L. Hughes; Laurent Legentil; Sunil V. Sharma; Martin A. Wilson","Expedient Synthesis of Substituted (Diphenylphosphinoylmethyl)benzenes","Journal of Organic Chemistry","2007","72","","2655","2658","10.1021/jo062114k","","","0.71073","Mo-Kα","","0.0943","0.0444","","","0.0762","0.0853","","","","","","0.904","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022675","14.196","0.005","9.713","0.005","15.483","0.005","90","0.005","90","0.005","90","0.005","2134.9","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl-4-acetyl-3-(methylthio)pyrrole-2-carboxylate","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C80 H104 N8 O24 S8 -","8","1","","N. C. Misra; K. Panda; H. Ila; H. Junjappa","An Efficient Highly Regioselective Synthesis of 2,3,4-Trisubstituted Pyrroles by Cycloaddition of Polarized Ketene S,S- and N,S- Acetals with Activated Methylene Isocyanides","Journal of Organic Chemistry","2007","72","","1246","1251","10.1021/jo062139j","","x-ray","0.71069","MoKα","","0.0391","0.0368","","","0.0936","0.0952","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022676","9.592","0.005","10.049","0.005","16.587","0.005","102.764","0.005","100.327","0.005","100.046","0.005","1495.4","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl-4-nitro-3-piperidinopyrrole-2-carboxylate","","- C25 H35 Cl3 N6 O8 -","- C25 H35 Cl3 N6 O8 -","- C50 H70 Cl6 N12 O16 -","2","1","","N. C. Misra; K. Panda; H. Ila; H. Junjappa","An Efficient Highly Regioselective Synthesis of 2,3,4-Trisubstituted Pyrroles by Cycloaddition of Polarized Ketene S,S- and N,S- Acetals with Activated Methylene Isocyanides","Journal of Organic Chemistry","2007","72","","1246","1251","10.1021/jo062139j","","x-ray","0.71069","MoKα","","0.0807","0.055","","","0.1029","0.1405","","","","","","1.099","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022677","10.574","0.005","23.386","0.005","7.047","0.005","90","0.005","106.919","0.005","90","0.005","1667.2","1.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4'-(4-Chloro-phenyl)-5-methylsulfanyl-2-phenyl-[4,5']bioxazolyl","","- C19 H13 Cl N2 O2 S -","- C19 H13 Cl N2 O2 S -","- C76 H52 Cl4 N8 O8 S4 -","4","1","","N. C. Misra; K. Panda; H. Ila; H. Junjappa","An Efficient Highly Regioselective Synthesis of 2,3,4-Trisubstituted Pyrroles by Cycloaddition of Polarized Ketene S,S- and N,S- Acetals with Activated Methylene Isocyanides","Journal of Organic Chemistry","2007","72","","1246","1251","10.1021/jo062139j","","","0.71069","MoKα","","0.0919","0.0602","","","0.1368","0.1982","","","","","","1.566","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022678","5.715","0.0002","11.6127","0.0004","26.4797","0.0009","90","","95.257","0.003","90","","1749.98","0.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H19 F3 N2 O3 S2 -","- C14 H19 F3 N2 O3 S2 -","- C56 H76 F12 N8 O12 S8 -","4","2","","Dorota Gryko; Magdalena Zimnicka; Radosław Lipiński","Brønsted Acids as Additives for the Direct Asymmetric Aldol Reaction Catalyzed by L-Prolinethioamides. Direct Evidence for Enamine-Iminium Catalysis","Journal of Organic Chemistry","2007","72","","964","970","10.1021/jo062149k","","","0.71073","MoKα","","0.0528","0.0295","","","0.0593","0.062","","","","","","0.839","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022679","8.7619","0.0009","9.4939","0.0009","10.2874","0.0012","90","","98.502","0.009","90","","846.35","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 F3 N2 O2 S -","- C15 H19 F3 N2 O2 S -","- C30 H38 F6 N4 O4 S2 -","2","1","","Dorota Gryko; Magdalena Zimnicka; Radosław Lipiński","Brønsted Acids as Additives for the Direct Asymmetric Aldol Reaction Catalyzed by L-Prolinethioamides. Direct Evidence for Enamine-Iminium Catalysis","Journal of Organic Chemistry","2007","72","","964","970","10.1021/jo062149k","","","0.71073","MoKα","","0.0234","0.0206","","","0.0504","0.051","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022680","9.801","0.002","8.2176","0.0016","11.755","0.002","90","","112.62","0.03","90","","873.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C36 H36 O16 -","2","0.5","","Thomas Rahn; Van T. H. Nguyen; T. H. Tam Dang; Zafar Ahmed; Karen Methling; Michael Lalk; Christine Fischer; Anke Spannenberg; Peter Langer","Synthesis of 1,3,5-Tricarbonyl Derivatives by Condensation of 1,3-Bis(silyl enol ethers) with Acid Chlorides","Journal of Organic Chemistry","2007","72","","1957","1961","10.1021/jo062153w","","","0.71073","MoKα","","0.057","0.0367","","","0.096","0.1017","","","","","","0.92","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022681","5.709","0.0006","7.647","0.0007","34.415","0.003","90","","90","","90","","1502.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Marie-Christine Matos; Paul V. Murphy","Synthesis of Macrolide-Saccharide Hybrids by Ring-Closing Metathesis of Precursors Derived from Glycitols and Benzoic Acids","Journal of Organic Chemistry","2007","72","","1803","1806","10.1021/jo062159l","","","0.71073","MoKα","","0.0424","0.0402","","","0.0975","0.0995","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022682","37.875","0.003","7.1179","0.0005","6.4111","0.0004","90","","90.101","0.001","90","","1728.4","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H50 O17 -","- C34 H48 O17 -","- C68 H96 O34 -","2","0.5","","Marie-Christine Matos; Paul V. Murphy","Synthesis of Macrolide-Saccharide Hybrids by Ring-Closing Metathesis of Precursors Derived from Glycitols and Benzoic Acids","Journal of Organic Chemistry","2007","72","","1803","1806","10.1021/jo062159l","","","0.71073","MoKα","","0.0458","0.0419","","","0.1067","0.1114","","","","","","1.073","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022683","5.5956","0.0005","12.3776","0.0011","13.8471","0.0013","90","","90","","90","","959.05","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N3 O S -","- C9 H9 N3 O S -","- C36 H36 N12 O4 S4 -","4","1","","Sivaramakrishnan Muthukrishnan; Sarah M. Mandel; John C. Hackett; Pradeep N. D. Singh; Christopher M. Hadad; Jeanette A. Krause; Anna D. Gudmundsdóttir","Competition between α-Cleavage and Energy Transfer in α-Azidoacetophenones","Journal of Organic Chemistry","2007","72","","2757","2768","10.1021/jo062160k","","","0.71073","MoKα","","0.0454","0.0304","","","0.0675","0.0748","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022684","8.027","0.005","13.87","0.011","36.175","0.014","90","","90","","90","","4028","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C208 H208 O24 -","8","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7107","","","0.1388","0.0741","","","0.1885","0.2134","","","","","","1.048","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022685","12.844","0.005","14.204","0.005","13.953","0.003","90","","101.11","0.02","90","","2497.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C29 H28 Cl2 O3 -","- C29 H28 Cl2 O3 -","- C116 H112 Cl8 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7107","","","0.0689","0.0397","","","0.1059","0.1134","","","","","","1.051","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022686","12.512","0.005","14.172","0.005","13.4","0.007","90","","96.73","0.04","90","","2359.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 Cl2 O3 -","- C27 H26 Cl2 O3 -","- C108 H104 Cl8 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7093","Mokα","","0.0792","0.0522","","","0.15","0.1607","","","","","","1.011","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022687","6.794","0.002","13.029","0.005","15.484","0.004","104.35","0.03","102.48","0.02","104.49","0.04","1227.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H30 O3 -","- C31 H30 O3 -","- C62 H60 O6 -","2","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7093","MoKα","","0.0861","0.0617","","","0.1965","0.213","","","","","","1.005","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022688","40.222","0.016","18.798","0.007","10.308","0.005","90","","90","","90","","7794","6","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C400 H384 O48 -","16","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7093","MoKα","","0.121","0.0697","","","0.2041","0.2612","","","","","","0.96","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022689","8.961","0.008","21.599","0.003","20.543","0.007","90","","90","","90","","3976","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H30 Br8 -","- C38 H30 Br8 -","- C152 H120 Br32 -","4","0.5","","Ritesh Nandy; Mahadevan Subramoni; Babu Varghese; Sethuraman Sankararaman","Intramolecular π-Stacking Interaction in a Rigid Molecular Hinge Substituted with 1-(Pyrenylethynyl) Units","Journal of Organic Chemistry","2007","72","","938","944","10.1021/jo062173y","","","0.71073","MoKα","","0.2364","0.0541","","","0.1425","0.2121","","","","","","0.96","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022690","8.0839","0.0017","13.697","0.003","7.4042","0.0016","90","","90","","90","","819.8","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","try","","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","","Jo Alen; Liliana Dobrzańska; Wim M. De Borggraeve; Frans Compernolle","Synthesis of 2(1H)-Pyrazinone Phosphonates via an Arbuzov-type Reaction","Journal of Organic Chemistry","2007","72","","1055","1057","10.1021/jo062176a","","","0.71073","MoKα","","0.0667","0.0586","","","0.1066","0.1094","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022691","9.9446","0.0008","9.985","0.0008","11.1069","0.0008","83.49","0.001","71.078","0.001","60.611","0.001","907.62","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Br N O -","- C22 H22 Br N O -","- C44 H44 Br2 N2 O2 -","2","1","","Lei Zhang; Helena C. Malinakova","Copper-Catalyzed Multicomponent Cascade Process for the Synthesis of Hexahydro-1H-isoindolones","Journal of Organic Chemistry","2007","72","","1484","1487","10.1021/jo0621773","","","0.71073","MoKα","","0.0432","0.035","","","0.0819","0.0834","","","","","","0.969","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022692","8.6239","0.0006","9.7771","0.0007","12.6087","0.0009","103.987","0.001","98.481","0.001","113.074","0.001","913.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Br N O -","- C22 H22 Br N O -","- C44 H44 Br2 N2 O2 -","2","1","","Lei Zhang; Helena C. Malinakova","Copper-Catalyzed Multicomponent Cascade Process for the Synthesis of Hexahydro-1H-isoindolones","Journal of Organic Chemistry","2007","72","","1484","1487","10.1021/jo0621773","","","0.71073","MoKα","","0.0351","0.0315","","","0.0874","0.0885","","","","","","1.059","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022693","10.0143","0.0008","18.0289","0.0013","13.7693","0.0012","90","","110.838","0.009","90","","2323.4","0.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C48 H55 B N4 O7 S2 -","- C48 H55 B N4 O7 S2 -","- C96 H110 B2 N8 O14 S4 -","2","1","","Jan Blid; Olaf Panknin; Pavel Tuzina; Peter Somfai","Lewis Acid Mediated Asymmetric [2,3]-Sigmatropic Rearrangement of Allylic Amines. Scope and Mechanistic Investigation","Journal of Organic Chemistry","2007","72","","1294","1300","10.1021/jo062178v","","","0.71073","MoKα","","0.105","0.056","","","0.096","0.117","","","","","","1.21","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022694","7.2921","0.0006","10.466","0.0009","13.7176","0.0012","90.3","0.02","99.22","0.02","107.86","0.02","981.92","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N O7 S -","- C19 H21 N O7 S -","- C38 H42 N2 O14 S2 -","2","1","","Marie-Laure Teyssot; Anh-Tuan Lormier; Isabelle Chataigner; Serge R. Piettre","Cross-Diels-Alder Reactions of 6-Oxo-1-Sulfonyl-1,6-Dihydropyridine-3-Carboxylates","Journal of Organic Chemistry","2007","72","","2364","2373","10.1021/jo062186b","","","0.71073","MoKα","","0.0564","0.0415","","","0.0982","0.1037","","","","","","0.938","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022695","25.8232","0.0013","8.6831","0.0004","27.969","0.0014","90","","105.377","0.001","90","","6046.9","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H37 N O9 S Si -","- C27 H37 N O9 S Si -","- C216 H296 N8 O72 S8 Si8 -","8","1","","Marie-Laure Teyssot; Anh-Tuan Lormier; Isabelle Chataigner; Serge R. Piettre","Cross-Diels-Alder Reactions of 6-Oxo-1-Sulfonyl-1,6-Dihydropyridine-3-Carboxylates","Journal of Organic Chemistry","2007","72","","2364","2373","10.1021/jo062186b","","","0.71073","MoKα","","0.0688","0.0445","","","0.1128","0.1224","","","","","","0.915","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022696","9.9667","0.0008","11.6617","0.0009","13.5269","0.0011","90","","90","","90","","1572.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Paul Evans","The Double Reduction of Cyclic Sulfonamides for the Synthesis of (4S-Phenylpyrrolidin-2R-yl)methanol and 2S-Methyl-4S-phenylpyrrolidine","Journal of Organic Chemistry","2007","72","","1830","1833","10.1021/jo062189o","","","0.71073","MoKα","","0.0407","0.0381","","","0.0953","0.0975","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022697","8.9647","0.001","9.7275","0.0011","12.0253","0.0013","90","","90","","90","","1048.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Paul Evans","The Double Reduction of Cyclic Sulfonamides for the Synthesis of (4S-Phenylpyrrolidin-2R-yl)methanol and 2S-Methyl-4S-phenylpyrrolidine","Journal of Organic Chemistry","2007","72","","1830","1833","10.1021/jo062189o","","","0.71073","MoKα","","0.0319","0.0309","","","0.0778","0.079","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022698","17.7606","0.0017","10.0435","0.0009","20.3393","0.0019","90","","90","","90","","3628.1","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Xiyuan Yuan; Xiaobing Xu; Xiaobo Zhou; Jiwei Yuan; Lugen Mai; Yanzhong Li","Copper-Catalyzed Double N-Alkenylation of Amides: An Efficient Synthesis of Di- or Trisubstituted N-Acylpyrroles","Journal of Organic Chemistry","2007","72","","1510","1513","10.1021/jo062194s","","","0.71073","MoKα","","0.0917","0.0541","","","0.1258","0.1392","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022699","28.098","0.002","17.5203","0.0017","15.2068","0.0012","90","","107.25","0.01","90","","7149.3","1.1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,10-Bis[4,5-bis(2-hydroxyethylthio)-1,3-dithiol-2-ylidene]-9,10 -dihydroanthracene, methanol solvate","","- C30.5 H38 O6.5 S8 -","- C30.3 H35.17 O6.29 S8 -","- C242.4 H281.36 O50.32 S64 -","8","1","","Christian A. Christensen; Andrei S. Batsanov; Martin R. Bryce","Thiolated π-Extended Tetrathiafulvalenes: Versatile Multifunctional π-Systems","Journal of Organic Chemistry","2007","72","","1301","1308","10.1021/jo062199p","","","0.71073","MoKα","","0.1178","0.0878","","","0.2815","0.3032","","","","","","1.389","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4022700","28.049","0.004","17.779","0.002","14.054","0.002","90","","104.92","0.01","90","","6772.2","1.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9,10-Bis[4,5-bis(2-hydroxyethylthio)-1,3-dithiol-2-ylidene]-9,10 -dihydroanthracene, acetonitrile solvate","","- C31 H32.5 N1.5 O4 S8 -","- C30.6 H28 N0.5 O4 S8 -","- C244.8 H224 N4 O32 S64 -","8","1","","Christian A. Christensen; Andrei S. Batsanov; Martin R. Bryce","Thiolated π-Extended Tetrathiafulvalenes: Versatile Multifunctional π-Systems","Journal of Organic Chemistry","2007","72","","1301","1308","10.1021/jo062199p","","","0.71073","MoKα","","0.1407","0.0741","","","0.1978","0.233","","","","","","1.347","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022701","12.795","0.002","13.393","0.002","18.509","0.003","90","","103.89","0.01","90","","3079","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1-(5',5"")-{9,10-Bis(4-methylthio-1,3-dithiol-2-ylidene) -9,10-dihydroanthracene}-2,8-dithiacyclo-octaphane, dichloromethane monosolvate","","- C28 H26 Cl2 S8 -","- C28 H26 Cl2 S8 -","- C112 H104 Cl8 S32 -","4","1","","Christian A. Christensen; Andrei S. Batsanov; Martin R. Bryce","Thiolated π-Extended Tetrathiafulvalenes: Versatile Multifunctional π-Systems","Journal of Organic Chemistry","2007","72","","1301","1308","10.1021/jo062199p","","","0.71073","MoKα","","0.0342","0.0303","","","0.0785","0.0809","","","","","","1.066","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022702","12.668","0.002","15.949","0.003","17.336","0.003","91.89","0.01","90.39","0.01","109.02","0.01","3309","1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","cis-1-(5',5"")-{9,10-Bis(4-methylthio-1,3-dithiol-2-ylidene) -9,10-dihydroanthracene}-2,8-dithiacyclo-octaphane, dichloromethane sesquisolvate","","- C28.5 H27 Cl3 S8 -","- C28.5 H26.5 Cl3 S8 -","- C114 H106 Cl12 S32 -","4","2","","Christian A. Christensen; Andrei S. Batsanov; Martin R. Bryce","Thiolated π-Extended Tetrathiafulvalenes: Versatile Multifunctional π-Systems","Journal of Organic Chemistry","2007","72","","1301","1308","10.1021/jo062199p","","","0.71073","MoKα","","0.0596","0.0509","","","0.1181","0.124","","","","","","1.094","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022703","5.9299","0.0008","8.176","0.001","27.17","0.003","90","","90","","90","","1317.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Yong Tang","Tetrahydrothiophene-Catalyzed Synthesis of Benzo[n.1.0] Bicycloalkanes","Journal of Organic Chemistry","2007","72","","1335","1340","10.1021/jo062209m","","","0.71073","MoKα","","0.0576","0.0407","","","0.0702","0.075","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022704","9.59","0.02","10.15","0.02","10.58","0.04","90","","100.32","0.07","90","","1013","5","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 Fe N Si -","- C22 H27 Fe N Si -","- C44 H54 Fe2 N2 Si2 -","2","1","","Shin-ichi Fukuzawa; Masahisa Yamamoto; Satoshi Kikuchi","Unexpected 1,5-Dilithiation of Chiral o-TMS Blocked (Dimethylamino)phenylmethylferrocene: An Alternative Approach to Chiral Ferrocenyl 1,5-Diphosphanes","Journal of Organic Chemistry","2007","72","","1514","1517","10.1021/jo062210l","","","0.7107","MoKα","","","0.064","","","","0.066","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022705","11.807","0.013","16.361","0.015","18.45","0.03","90","","98.07","0.03","90","","3528","8","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H39 Fe N P2 -","- C43 H39 Fe N P2 -","- C172 H156 Fe4 N4 P8 -","4","2","","Shin-ichi Fukuzawa; Masahisa Yamamoto; Satoshi Kikuchi","Unexpected 1,5-Dilithiation of Chiral o-TMS Blocked (Dimethylamino)phenylmethylferrocene: An Alternative Approach to Chiral Ferrocenyl 1,5-Diphosphanes","Journal of Organic Chemistry","2007","72","","1514","1517","10.1021/jo062210l","","","0.7107","MoKα","","","0.0386","","","","0.0392","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022706","7.8209","0.0003","16.504","0.0007","9.119","0.0003","90","","112.812","0.0008","90","","1084.98","0.07","113.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H34 -","- C30 H34 -","- C60 H68 -","2","0.5","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0435","","","","0.1235","","","","","","1.682","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022707","29.2281","","11.349","0.0001","29.134","","90","","18.4827","0.0002","90","","3063.67","0.05","123.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C42 H48 -","- C42 H48 -","- C168 H192 -","4","1","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0424","","","","0.1215","","","","","","1.399","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022708","17.369","0.0008","7.6235","0.0005","23.486","0.001","90","","96.969","0.002","90","","3086.9","0.3","113.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 O2 -","- C42 H44 O2 -","- C168 H176 O8 -","4","0.5","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0501","","","","0.1343","","","","","","1.179","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022709","22.9354","0.0003","11.1015","0.0002","24.1439","0.0004","90","","94.5235","0.0006","90","","6128.3","0.2","113.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 O4 -","- C42 H40 O4 -","- C336 H320 O32 -","8","1","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0421","","","","0.1171","","","","","","1.233","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022710","8.0516","0.0003","8.2455","0.0003","25.6436","0.0008","90","","90","","90","","1702.47","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.0692","0.0454","","","0.1193","0.1408","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022711","10.094","0.0005","12.5122","0.0004","13.8767","0.0007","90","","90","","90","","1752.6","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.0918","0.05","","","0.1271","0.1531","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022712","8.5497","0.0003","13.0555","0.0005","15.7323","0.0007","90","","90","","90","","1756.05","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.1036","0.0445","","","0.1011","0.1235","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022713","13.1383","0.0005","13.138","","43.66","0.002","90","","90","","90","","7536.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C288 H336 N24 O24 -","12","3","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.2596","0.083","","","0.2095","0.2814","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022714","10.063","0.005","10.356","0.005","12.085","0.006","90","","111.333","0.007","90","","1173.1","1","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C26 H30 Cl N3 -","- C26 H30 Cl N3 -","- C52 H60 Cl2 N6 -","2","0.5","","Laura D. Shirtcliff; Michael M. Haley; Rainer Herges","CuCl-Induced Formation and Migration of Isoindazolyl Carbenoids","Journal of Organic Chemistry","2007","72","","2411","2418","10.1021/jo0622274","","","0.71073","MoKα","","0.1687","0.0715","","","0.1227","0.156","","","","","","0.973","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022715","16.1958","0.0013","11.0313","0.0009","16.4263","0.0013","90","","111.492","0.002","90","","2730.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cl N3 -","- C32 H34 Cl N3 -","- C128 H136 Cl4 N12 -","4","1","","Laura D. Shirtcliff; Michael M. Haley; Rainer Herges","CuCl-Induced Formation and Migration of Isoindazolyl Carbenoids","Journal of Organic Chemistry","2007","72","","2411","2418","10.1021/jo0622274","","","0.71073","MoKα","","0.1056","0.0551","","","0.0961","0.1155","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022716","8.9925","0.0014","14.746","0.002","17.638","0.003","78.435","0.003","83.065","0.003","74.484","0.002","2202.2","0.6","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H60 O6 -","- C48 H60 O6 -","- C96 H120 O12 -","2","1","","Ramavarma Luxmi Varma; Viswanathan Bhagavathy Ganga; Eringathodi Suresh","Photochemical Rearrangement of Calix[4]arene-Derived Bis(spirodienones): Formation of a New Macrocycle","Journal of Organic Chemistry","2007","72","","1017","1019","10.1021/jo062231f","","","0.71073","MoKα","","0.0915","0.0722","","","0.2004","0.217","","","","","","1.034","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022717","6.2474","0.0015","10.004","0.002","10.834","0.003","104.949","0.004","105.72","0.004","96.757","0.004","616.8","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 I O -","- C15 H11 I O -","- C30 H22 I2 O2 -","2","1","","Shilpa A. Worlikar; Tanay Kesharwani; Tuanli Yao; Richard C. Larock","Synthesis of 3,4-Disubstituted 2H-Benzopyrans through C-C Bond Formation via Electrophilic Cyclization","Journal of Organic Chemistry","2007","72","","1347","1353","10.1021/jo062234s","","","0.71073","MoKα","","0.0328","0.0305","","","0.0875","0.0918","","","","","","1.034","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022718","5.0184","0.0007","7.3717","0.001","18.44","0.002","90","","90","","90","","682.18","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-methylcarboxy2-methyl-3-sydnone N-oxide","","- C5 H6 N2 O5 -","- C5 H6 N2 O5 -","- C20 H24 N8 O20 -","4","1","","D. Scott Bohle; Lindsey E. McQuade; Inna Perepichka; Lijuan Zhang","Methylation of Sydnone N-Oxides: Kinetic and Thermodynamic Control in the Alkylation Site of an Electron-Rich Heterocycle","Journal of Organic Chemistry","2007","72","","3625","3631","10.1021/jo062235k","","","0.71073","MoKα","","0.0608","0.0603","","","0.1333","0.1341","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022719","31.445","0.01","4.8418","0.0016","9.487","0.003","90","","98.57","0.005","90","","1428.2","0.8","100","2","373","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-methylcarboxysydnoneN-oxide","","","- C5 H6 N2 O5 -","- C5 H6 N2 O5 -","- C40 H48 N16 O40 -","8","1","","D. Scott Bohle; Lindsey E. McQuade; Inna Perepichka; Lijuan Zhang","Methylation of Sydnone N-Oxides: Kinetic and Thermodynamic Control in the Alkylation Site of an Electron-Rich Heterocycle","Journal of Organic Chemistry","2007","72","","3625","3631","10.1021/jo062235k","","","0.71073","MoKα","","0.107","0.0404","","","0.0553","0.0675","","","","","","0.928","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022720","11.187","0.006","36.661","0.018","12.087","0.006","90","","106.921","0.009","90","","4742","4","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H40 Cl6 N O2 P3 Pd -","- C48 H40 Cl6 N O2 P3 Pd -","- C192 H160 Cl24 N4 O8 P12 Pd4 -","4","2","","Weicheng Zhang; Xumu Zhang","Highly Enantioselective Hydrogenation of α-Dehydroamino Esters and Itaconates with Triphosphorous Bidentate Ligands and the Unprecedented Solvent Effect Thereof","Journal of Organic Chemistry","2007","72","","1020","1023","10.1021/jo0622429","","","0.71073","MoKα","","0.0913","0.0692","","","0.1354","0.1475","","","","","","1.022","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022721","7.7309","0.0003","9.8742","0.0004","10.3592","0.0004","63.33","0.001","85.655","0.001","72.561","0.001","672.57","0.05","180","1","180","1","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br2 N2 O -","- C14 H14 Br2 N2 O -","- C28 H28 Br4 N4 O2 -","2","2","","Costa Metallinos; Travis Dudding; Josh Zaifman; Jennifer L. Chaytor; Nicholas J. Taylor","An Experimental and Theoretical Study of the Asymmetric Lithiation of 1,2,3,5,6,7-Hexahydro-3a,4a-diazacyclopenta[def]phenanthren-4-one","Journal of Organic Chemistry","2007","72","","957","963","10.1021/jo062244t","","","0.71073","MoKα","","0.0283","0.0259","","","0.0484","0.0487","","","","","","1.3","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022722","9.3503","0.0003","9.8156","0.0003","9.7374","0.0005","90","","116.441","0.001","90","","800.2","0.05","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Zhiyan Huang; Hongshan Lai; Yong Qin","Syntheses of Novel Chiral Sulfinamido Ligands and Their Applications in Diethylzinc Additions to Aldehydes","Journal of Organic Chemistry","2007","72","","1373","1378","10.1021/jo062249q","","","0.71073","MoKα","","0.0228","0.0224","","","0.0603","0.0606","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022723","12.934","0.007","5.96","0.003","16.38","0.009","90","","94.928","0.002","90","","1258","1.1","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O3 S2 -","- C27 H31 N O3 S2 -","- C54 H62 N2 O6 S4 -","2","1","","Akio Kamimura; Hidenori Okawa; Yuki Morisaki; Shingo Ishikawa; Hidemitsu Uno","Asymmetric Thio-Michael/Nucleophilic Addition Domino Reaction with Chiral N-Sulfinimines","Journal of Organic Chemistry","2007","72","","3569","3572","10.1021/jo062251h","","","0.7107","MoKα","","0.0538","0.0478","","","0.1278","0.1349","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022724","10.09","0.006","8.726","0.005","14.035","0.009","90","","92.408","0.014","90","","1234.6","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N O3 S2 -","- C24 H33 N O3 S2 -","- C48 H66 N2 O6 S4 -","2","1","","Akio Kamimura; Hidenori Okawa; Yuki Morisaki; Shingo Ishikawa; Hidemitsu Uno","Asymmetric Thio-Michael/Nucleophilic Addition Domino Reaction with Chiral N-Sulfinimines","Journal of Organic Chemistry","2007","72","","3569","3572","10.1021/jo062251h","","","0.7107","MoKα","","0.0815","0.0674","","","0.1617","0.1791","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022725","5.148","0.002","10.506","0.005","27.52","0.012","90","","90","","90","","1488.4","1.1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O S4 -","- C15 H10 O S4 -","- C60 H40 O4 S16 -","4","1","","Yao-Peng Zhao; Li-Zhu Wu; Gang Si; Yan Liu; Hai Xue; Li-Ping Zhang; Chen-Ho Tung","Synthesis, Spectroscopic, Electrochemical and Pb^2+^-Binding Studies of Tetrathiafulvalene Acetylene Derivatives","Journal of Organic Chemistry","2007","72","","3632","3639","10.1021/jo0622577","","","0.71073","MoKα","","0.0435","0.0332","","","0.0752","0.0801","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022726","10.342","0.003","8.616","0.003","22.954","0.008","90","","94.343","0.005","90","","2039.3","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Cl2 N2 O6 -","- C42 H34 Cl2 N2 O4 -","- C84 H68 Cl4 N4 O8 -","2","0.5","","Zhenzhen Dong; Xiaozhong Liu; Glenn P. A. Yap; Joseph M. Fox","Two-Dimensional Scaffolds for the Parallel Alignment of Rod-Shaped Conjugated Molecules","Journal of Organic Chemistry","2007","72","","617","625","10.1021/jo062261i","","","0.71073","MoKα","","0.0573","0.0523","","","0.1442","0.1486","","","","","","1.052","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022727","5.925","0.003","8.413","0.004","12.849","0.007","71.28","0.006","82.247","0.005","80.09","0.005","595.4","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","1","0.5","","Zhenzhen Dong; Xiaozhong Liu; Glenn P. A. Yap; Joseph M. Fox","Two-Dimensional Scaffolds for the Parallel Alignment of Rod-Shaped Conjugated Molecules","Journal of Organic Chemistry","2007","72","","617","625","10.1021/jo062261i","","","0.71073","MoKα","","0.0758","0.0558","","","0.1335","0.1445","","","","","","1.045","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022728","14.719","0.002","15.941","0.003","34.242","0.005","90","","97.345","0.003","90","","7968","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H93 Cl2 N9 O14 -","- C81 H91 Cl2 N9 O14 -","- C324 H364 Cl8 N36 O56 -","4","1","","Zhenzhen Dong; Xiaozhong Liu; Glenn P. A. Yap; Joseph M. Fox","Two-Dimensional Scaffolds for the Parallel Alignment of Rod-Shaped Conjugated Molecules","Journal of Organic Chemistry","2007","72","","617","625","10.1021/jo062261i","","","0.71073","MoKα","","0.1043","0.0839","","","0.2336","0.245","","","","","","1.619","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022729","6.3813","0.0003","9.4373","0.0004","16.948","0.0009","89.7","0.002","81.267","0.003","87.576","0.003","1007.91","0.08","160","1","160","1","","","","","","","","3","P 1","P 1","1","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C42 H64 O10 -","2","2","","Martin A. Lovchik; Andreas Goeke; Georg Fráter","Cyclobutanones through S~N~i' Ring Closure, a Mechanistic Study","Journal of Organic Chemistry","2007","72","","2427","2433","10.1021/jo062264v","","","0.71073","MoKα","","0.0562","0.0482","","","0.1277","0.1344","","","","","","1.092","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022730","8.2145","0.0019","11.706","0.003","23.345","0.004","75.906","0.017","85.643","0.017","71.19","0.03","2061","0.8","294.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N3 O3 -","- C22 H26 N3 O3 -","- C88 H104 N12 O12 -","4","2","","Shin'ichi Nakatsuji; Masahiro Fujino; Satoko Hasegawa; Hiroki Akutsu; Jun-ichi Yamada; Vladimir S. Gurman; Andrey Kh.Vorobiev","Azobenzene Derivatives Carrying a Nitroxide Radical","Journal of Organic Chemistry","2007","72","","2021","2029","10.1021/jo062266f","","","0.71069","MoKα","","","0.0462","","","","0.0621","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022731","5.773","0.002","11.72","0.002","30.012","0.002","90","","93.34","0.02","90","","2027.2","0.8","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N3 O3 -","- C22 H26 N3 O3 -","- C88 H104 N12 O12 -","4","1","","Shin'ichi Nakatsuji; Masahiro Fujino; Satoko Hasegawa; Hiroki Akutsu; Jun-ichi Yamada; Vladimir S. Gurman; Andrey Kh.Vorobiev","Azobenzene Derivatives Carrying a Nitroxide Radical","Journal of Organic Chemistry","2007","72","","2021","2029","10.1021/jo062266f","","","0.71069","MoKα","","","0.055","","","","0.0694","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022732","5.973","0.006","42.691","0.009","12.856","0.007","90","","100.52","0.07","90","","3223","3","303.2","","303.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N3 O4 -","- C33 H48 N3 O4 -","- C132 H192 N12 O16 -","4","1","","Shin'ichi Nakatsuji; Masahiro Fujino; Satoko Hasegawa; Hiroki Akutsu; Jun-ichi Yamada; Vladimir S. Gurman; Andrey Kh.Vorobiev","Azobenzene Derivatives Carrying a Nitroxide Radical","Journal of Organic Chemistry","2007","72","","2021","2029","10.1021/jo062266f","","","0.7107","MoK'a","","0.0611","0.061","","0.056","","0.056","","","1.957","","","1.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022733","6.675","0.0007","11.85","0.002","20.811","0.002","75.756","0.008","81.813","0.003","75.557","0.002","1539.3","0.4","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N3 O4 -","- C32 H46 N3 O4 -","- C64 H92 N6 O8 -","2","1","","Shin'ichi Nakatsuji; Masahiro Fujino; Satoko Hasegawa; Hiroki Akutsu; Jun-ichi Yamada; Vladimir S. Gurman; Andrey Kh.Vorobiev","Azobenzene Derivatives Carrying a Nitroxide Radical","Journal of Organic Chemistry","2007","72","","2021","2029","10.1021/jo062266f","","","0.71069","MoKα","","","0.1563","","","","0.1137","","","","","","1.207","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022734","8.998","0.003","34.477","0.003","11.1675","0.0004","90","","105.724","0.0008","90","","3334.6","1.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 N4 O6 -","- C33 H47 N4 O6 -","- C132 H188 N16 O24 -","4","1","","Shin'ichi Nakatsuji; Masahiro Fujino; Satoko Hasegawa; Hiroki Akutsu; Jun-ichi Yamada; Vladimir S. Gurman; Andrey Kh.Vorobiev","Azobenzene Derivatives Carrying a Nitroxide Radical","Journal of Organic Chemistry","2007","72","","2021","2029","10.1021/jo062266f","","","0.71069","MoKα","","0.2757","0.121","","0.1048","0.0816","0.0816","","","","","","1.1299","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022735","22.169","0.004","6.512","0.0013","28.437","0.006","90","","95.994","0.004","90","","4082.8","1.4","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C26 H39 N2 O7 -","- C26 H39 N2 O7 -","- C156 H234 N12 O42 -","6","3","","Josep Comelles; Àlex Pericas; Marcial Moreno-Mañas; Adelina Vallribera; Galí Drudis-Solé; Agusti Lledos; Teodor Parella; Anna Roglans; Santiago García-Granda; Laura Roces-Fernández","Highly Enantioselective Electrophilic Amination and Michael Addition of Cyclic β-Ketoesters Induced by Lanthanides and (S,S)-ip-pybox: The Mechanism","Journal of Organic Chemistry","2007","72","","2077","2087","10.1021/jo0622678","","","0.71073","MoKα","","0.1985","0.1026","","","0.1732","0.2108","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022736","9.1937","0.0005","11.5288","0.0006","12.5921","0.0007","87.648","0.001","80.507","0.001","71.088","0.001","1245.22","0.12","293","2","293","2","","","","","","","synthesis","4","P 1","P 1","1","","","","- C21 H31 N5 O6 -","- C21 H31 N5 O6 -","- C42 H62 N10 O12 -","2","2","","Josep Comelles; Àlex Pericas; Marcial Moreno-Mañas; Adelina Vallribera; Galí Drudis-Solé; Agusti Lledos; Teodor Parella; Anna Roglans; Santiago García-Granda; Laura Roces-Fernández","Highly Enantioselective Electrophilic Amination and Michael Addition of Cyclic β-Ketoesters Induced by Lanthanides and (S,S)-ip-pybox: The Mechanism","Journal of Organic Chemistry","2007","72","","2077","2087","10.1021/jo0622678","","","0.71073","MoKα","","0.1531","0.0889","","","0.1868","0.218","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022737","27.8483","0.001","5.3181","0.0002","11.8833","0.0004","90","","101.357","0.002","90","","1725.46","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-chlorobutyl)-2-cyanocyclopentyl 4-nitrobenzoate","","- C17 H19 Cl N2 O4 -","- C17 H19 Cl N2 O4 -","- C68 H76 Cl4 N8 O16 -","4","1","","Fraser F. Fleming; Viet Anh Vu; Brian C. Shook; Moshfiqur Rahman; Omar W. Steward","Metalated Nitriles: Chelation-Controlled Cyclizations to cis and trans Hydrindanes and Decalins","Journal of Organic Chemistry","2007","72","","1431","1436","10.1021/jo062270r","","","0.71073","MoKα","","0.1417","0.0681","","","0.0848","0.0908","","","","","","1.919","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022738","11.604","0.0005","13.281","0.0006","10.782","0.0005","90","","111.354","0.002","90","","1547.57","0.12","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7a-cyanooctahydro-1-H-inden-1-yl 4-nitrobenzoate","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Fraser F. Fleming; Viet Anh Vu; Brian C. Shook; Moshfiqur Rahman; Omar W. Steward","Metalated Nitriles: Chelation-Controlled Cyclizations to cis and trans Hydrindanes and Decalins","Journal of Organic Chemistry","2007","72","","1431","1436","10.1021/jo062270r","","","0.71073","MoKα","","0.0463","0.0318","","","0.072","0.0778","","","","","","0.981","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022739","12.709","0.0005","13.4048","0.0005","16.4736","0.0006","67.77","0.001","70.213","0.001","74.126","0.001","2410.16","0.16","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Cl3 N4 O8 S2 -","- C52.5 H52.5 Cl1.5 N4 O8 S2 -","- C105 H105 Cl3 N8 O16 S4 -","2","1","","I-Ting Ho; Gene-Hsiang Lee; Wen-Sheng Chung","Synthesis of Upper-Rim Allyl- and p-Methoxyphenylazocalix[4]arenes and Their Efficiencies in Chromogenic Sensing of Hg^2+^ Ion","Journal of Organic Chemistry","2007","72","","2434","2442","10.1021/jo062280s","","","0.71073","MoKα","","0.1059","0.0865","","","0.1933","0.2048","","","","","","1.126","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022740","7.191","0.002","32.813","0.01","8.726","0.003","90","","90.048","0.006","90","","2059","1.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 Br O6 -","- C19 H22 Br O6 -","- C76 H88 Br4 O24 -","4","2","","Yoshio Nakai; Masatoshi Kawahata; Kentaro Yamaguchi; Kei Takeda","Stereocontrolled Construction of Seven-Membered Carbocycles Using a Combination of Brook Rearrangement-Mediated [3 + 4] Annulation and Epoxysilane Rearrangement","Journal of Organic Chemistry","2007","72","","1379","1387","10.1021/jo062282c","","","0.71073","MoKα","","0.2017","0.0521","","","0.1174","0.162","","","","","","0.793","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022741","16.5954","0.0015","16.5954","0.0015","8.2166","0.0011","90","","90","","90","","2262.9","0.4","298","2","298","2","","","","","","","","4","I -4","I -4","82","","","","- C11.25 H16.25 Cl0.75 O -","- C11.25 H16 Cl0.75 O -","- C90 H128 Cl6 O8 -","8","1","","Daniele Casarini; Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Conformation and Stereodynamics of Symmetrically Ortho-Disubstituted Aryl Carbinols and Aryl Ethers","Journal of Organic Chemistry","2007","72","","998","1004","10.1021/jo062289u","","","0.71073","MoKα","","0.0502","0.0449","","","0.1213","0.127","","","","","","1.065","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022742","12.2331","0.0007","12.2331","0.0007","27.5112","0.0012","90","","90","","120","","3565.4","0.3","143","1","143","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C9 H15 O -","- C9 H15 O -","- C162 H270 O18 -","18","1","","Gary A. Molander; Barbara Czakó; Michael Rheam","Construction of Bicyclic Ring Systems via a Transannular SmI~2~-Mediated Ketone-Olefin Cyclization Strategy","Journal of Organic Chemistry","2007","72","","1755","1764","10.1021/jo062292d","","","0.71073","MoKα","","0.051","0.0476","","","0.1168","0.1197","","","","","","1.05","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022743","15.694","0.002","15.694","0.002","8.2592","0.0012","90","","90","","90","","2034.2","0.5","143","1","143","1","","","","","","","","3","I -4","I -4","82","","","","- C11 H20 O -","- C11 H20 O -","- C88 H160 O8 -","8","1","","Gary A. Molander; Barbara Czakó; Michael Rheam","Construction of Bicyclic Ring Systems via a Transannular SmI~2~-Mediated Ketone-Olefin Cyclization Strategy","Journal of Organic Chemistry","2007","72","","1755","1764","10.1021/jo062292d","","","0.71069","MoKα","","0.1153","0.106","","","0.3133","0.3359","","","","","","1.401","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022744","9.4928","0.0006","8.228","0.0005","9.8444","0.0006","90","","111.506","0.001","90","","715.38","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O2 S2 -","- C14 H15 N O2 S2 -","- C28 H30 N2 O4 S4 -","2","1","","Michael Harmata; Pinguan Zheng; Chaofeng Huang; Maria G. Gomes; Weijiang Ying; Kanok-On Ranyanil; Gayatri Balan; Nathan L. Calkins","Expedient Synthesis of Sulfinamides from Sulfonyl Chlorides","Journal of Organic Chemistry","2007","72","","683","685","10.1021/jo062296i","","","0.71073","MoKα","","0.0356","0.0314","","","0.078","0.0804","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022745","46.587","0.007","5.9312","0.0009","10.3447","0.0015","90","","94.075","0.002","90","","2851.2","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C33 H50 O2 -","- C33 H50 O2 -","- C132 H200 O8 -","4","1","","Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore","Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt","Journal of Organic Chemistry","2007","72","","1765","1769","10.1021/jo062300q","","","0.71073","MoKα","","0.0487","0.0441","","","0.1153","0.1192","","","","","","1.033","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022746","11.0432","0.0016","7.7364","0.0011","15.73","0.002","90","","105.382","0.002","90","","1295.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H46 Br2 -","- C27 H46 Br2 -","- C54 H92 Br4 -","2","1","","Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore","Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt","Journal of Organic Chemistry","2007","72","","1765","1769","10.1021/jo062300q","","","0.71073","MoKα","","0.0498","0.037","","","0.0918","0.0965","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022747","8.0272","0.0008","13.8028","0.0014","27.746","0.003","90","","90","","90","","3074.2","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 -","- C39 H54 -","- C156 H216 -","4","1","","Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore","Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt","Journal of Organic Chemistry","2007","72","","1765","1769","10.1021/jo062300q","","","0.71073","MoKα","","0.06","0.0488","","","0.1192","0.1272","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022748","5.423","0.005","11.41","0.005","10.664","0.005","90","0.005","100.34","0.005","90","0.005","649.1","0.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","pentaleno[b]indole","5,6a-Dimethyl-6,6a,7,8,9,9a-hexahydropentaleno[2,1-b]indol-6,7-dione","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C32 H30 N2 O4 -","2","1","","A. K. Yadav; S. Peruncheralathan; H. Ila; H. Junjappa","Domino Carbocationic Rearrangement of α-[Bis(methylthio)methylene]alkyl-2-(3/2-indolyl)) Cyclopropyl Ketones","Journal of Organic Chemistry","2007","72","","1388","1394","10.1021/jo062302a","","x-ray","0.71069","MoKα","","0.2754","0.0576","","","0.0862","0.1304","","","","","","1.054","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022749","7.861","0.005","16.669","0.005","12.262","0.005","90","0.005","100.449","0.005","90","0.005","1580.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methyl-6,11-bis(methylthio)-5,6,7,8-tetrahydro-cycloocta[b]indol-9-one","","- C17 H19 N O S2 -","- C17 H19 N O S2 -","- C68 H76 N4 O4 S8 -","4","1","","A. K. Yadav; S. Peruncheralathan; H. Ila; H. Junjappa","Domino Carbocationic Rearrangement of α-[Bis(methylthio)methylene]alkyl-2-(3/2-indolyl)) Cyclopropyl Ketones","Journal of Organic Chemistry","2007","72","","1388","1394","10.1021/jo062302a","","","0.71069","MoKα","","0.1006","0.0667","","","0.154","0.2034","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022750","14.782","0.005","9.962","0.005","17.144","0.005","90","","90","","90","","2524.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,9a-dimethyl-1,2,3,3a,9,9a-hexahydropentaleno[1,2-b]indol-1,9-dione","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","A. K. Yadav; S. Peruncheralathan; H. Ila; H. Junjappa","Domino Carbocationic Rearrangement of α-[Bis(methylthio)methylene]alkyl-2-(3/2-indolyl)) Cyclopropyl Ketones","Journal of Organic Chemistry","2007","72","","1388","1394","10.1021/jo062302a","","","0.71069","MoKα","","0.0832","0.0579","","","0.13","0.1485","","","","","","1.066","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022751","7.4907","0.0004","13.1495","0.0008","18.5332","0.0012","90","","90","","90","","1825.5","0.19","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","1","","Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board","A New Route to Highly Functionalized Heterocyclic Rings","Journal of Organic Chemistry","2007","72","","1395","1398","10.1021/jo062305n","","x-ray","0.71073","MoKα","","0.0552","0.0424","","","0.101","0.1094","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022752","12.7887","0.0013","5.8349","0.0006","12.9579","0.0013","90","","98.292","0.005","90","","956.82","0.17","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board","A New Route to Highly Functionalized Heterocyclic Rings","Journal of Organic Chemistry","2007","72","","1395","1398","10.1021/jo062305n","","x-ray","0.71073","MoKα","","0.1029","0.064","","","0.1258","0.1444","","","","","","1.089","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022753","17.5244","0.0014","7.44","0.0005","12.9055","0.001","90","","129.607","0.003","90","","1296.36","0.17","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C13 H16 O3 Si -","- C13 H16 O3 Si -","- C52 H64 O12 Si4 -","4","1","","Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board","A New Route to Highly Functionalized Heterocyclic Rings","Journal of Organic Chemistry","2007","72","","1395","1398","10.1021/jo062305n","","x-ray","0.71073","MoKα","","0.0624","0.0576","","","0.1554","0.1648","","","","","","0.846","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022754","11.0822","0.001","12.3187","0.0009","14.3552","0.0012","78.825","0.004","81.987","0.004","71.987","0.004","1821.7","0.3","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H21 N O5 Si -","- C18 H21 N O5 Si -","- C72 H84 N4 O20 Si4 -","4","2","","Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board","A New Route to Highly Functionalized Heterocyclic Rings","Journal of Organic Chemistry","2007","72","","1395","1398","10.1021/jo062305n","","x-ray","0.71073","MoKα","","0.1387","0.0742","","","0.1475","0.1743","","","","","","1.03","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022755","9.207","0.0006","11.4137","0.0008","11.9039","0.0008","62.674","0.001","88.685","0.001","81.265","0.001","1096.89","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","14-chloro-7,7-dimethyl-6,7,7a,8,14b,17-hexahydro-5H-benzo[5,6] pyrrolizino[2,1-c]naphtho[2,3-h]quinoline-5,17-dione","","- C28 H21 Cl N2 O2 -","- C28 H21 Cl N2 O2 -","- C56 H42 Cl2 N4 O4 -","2","1","","Vikram Gaddam; Rajagopal Nagarajan","A New Entry to Polycyclic Indole Derivatives via Intramolecular Imino Diels-Alder Reaction: Observation of Unexpected Reaction","Journal of Organic Chemistry","2007","72","","3573","3576","10.1021/jo062321k","","","0.71073","MoKα","","0.058","0.0448","","","0.1121","0.1203","","","","","","1.026","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022756","11.9652","0.0014","23.078","0.003","17.208","0.002","90","","102.416","0.002","90","","4640.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","12,14-dichloro-7,7-dimethyl-6,7,7a,8,14b,17-hexahydro-5H-benzo[5,6] pyrrolizino[2,1-c]naphtho[2,3-h]quinoline-5,17-dione","","- C56 H40 Cl4 N4 O4 -","- C56 H40 Cl4 N4 O4 -","- C224 H160 Cl16 N16 O16 -","4","1","","Vikram Gaddam; Rajagopal Nagarajan","A New Entry to Polycyclic Indole Derivatives via Intramolecular Imino Diels-Alder Reaction: Observation of Unexpected Reaction","Journal of Organic Chemistry","2007","72","","3573","3576","10.1021/jo062321k","","","0.71073","MoKα","","0.2182","0.0653","","","0.0951","0.1329","","","","","","0.926","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022757","21.701","0.007","13.626","0.005","7.846","0.003","90","","98.523","0.006","90","","2294.2","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","12-bromo-14-chloro-7,7-dimethyl-6,7,7a,8,14b,17-hexahydro-5H-benzo[5,6] pyrrolizino[2,1-c]naphtho[2,3-h]quinoline-5,17-dione","","- C28 H20 Br Cl N2 O2 -","- C28 H20 Br Cl N2 O2 -","- C112 H80 Br4 Cl4 N8 O8 -","4","1","","Vikram Gaddam; Rajagopal Nagarajan","A New Entry to Polycyclic Indole Derivatives via Intramolecular Imino Diels-Alder Reaction: Observation of Unexpected Reaction","Journal of Organic Chemistry","2007","72","","3573","3576","10.1021/jo062321k","","","0.71073","MoKα","","0.1124","0.0521","","","0.0985","0.1177","","","","","","0.976","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022758","8.1746","0.0003","15.193","0.0005","9.8516","0.0003","90","","107.469","0.001","90","","1167.11","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N3 O4 S -","- C9 H11 N3 O4 S -","- C36 H44 N12 O16 S4 -","4","1","","Mohammad Movassaghi; Omar K. Ahmad","N-Isopropylidene-N'-2-nitrobenzenesulfonyl Hydrazine, a Reagent for Reduction of Alcohols via the Corresponding Monoalkyl Diazenes","Journal of Organic Chemistry","2007","72","","1838","1841","10.1021/jo062325p","","","0.71073","MoKα","","0.031","0.0299","","","0.0848","0.0858","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022759","10.602","0.002","10.735","0.002","11.281","0.002","77.344","0.003","67.507","0.003","83.509","0.003","1156.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Cl N2 O2 -","- C26 H27 Cl N2 O2 -","- C52 H54 Cl2 N4 O4 -","2","1","","Dhevalapally B. Ramachary; Kinthada Ramakumar; Vidadala V. Narayana","Organocatalytic Cascade Reactions Based on Push-Pull Dienamine Platform: Synthesis of Highly Substituted Anilines","Journal of Organic Chemistry","2007","72","","1458","1463","10.1021/jo0623639","","","0.71073","MoKα","","0.0603","0.0497","","","0.1308","0.1387","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022760","10.9755","0.0012","8.2031","0.0009","16.2285","0.0018","90","","107.064","0.002","90","","1396.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Dhevalapally B. Ramachary; Kinthada Ramakumar; Vidadala V. Narayana","Organocatalytic Cascade Reactions Based on Push-Pull Dienamine Platform: Synthesis of Highly Substituted Anilines","Journal of Organic Chemistry","2007","72","","1458","1463","10.1021/jo0623639","","","0.71073","MoKα","","0.064","0.0516","","","0.1326","0.1404","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022761","7.3962","0.0019","24.731","0.006","6.9611","0.0017","90","","111.789","0.005","90","","1182.3","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Br2 N3 O3 -","- C10 H7 Br2 N3 O3 -","- C40 H28 Br8 N12 O12 -","4","1","","Kathryn M. Evans; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; Nicholas J. Westwood","An Improved Understanding of the Reaction of Bis(bromomethyl)quinoxaline 1-N-Oxides with Amines Using Substituent Effects","Journal of Organic Chemistry","2007","72","","3186","3193","10.1021/jo062380y","","","0.71073","MoKα","","0.036","0.0304","","","0.0666","0.069","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022762","7.483","0.002","7.6916","0.0019","10.345","0.003","100.412","0.009","93.102","0.005","95.459","0.01","581.4","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Br3 N2 O -","- C10 H7 Br3 N2 O -","- C20 H14 Br6 N4 O2 -","2","1","","Kathryn M. Evans; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; Nicholas J. Westwood","An Improved Understanding of the Reaction of Bis(bromomethyl)quinoxaline 1-N-Oxides with Amines Using Substituent Effects","Journal of Organic Chemistry","2007","72","","3186","3193","10.1021/jo062380y","","","0.71073","MoKα","","0.0299","0.0273","","","0.0667","0.0678","","","","","","0.739","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022763","7.4673","0.0016","7.8862","0.0017","10.833","0.002","86.162","0.014","88.275","0.013","65.97","0.011","581.4","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Br3 N2 O -","- C10 H7 Br3 N2 O -","- C20 H14 Br6 N4 O2 -","2","1","","Kathryn M. Evans; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; Nicholas J. Westwood","An Improved Understanding of the Reaction of Bis(bromomethyl)quinoxaline 1-N-Oxides with Amines Using Substituent Effects","Journal of Organic Chemistry","2007","72","","3186","3193","10.1021/jo062380y","","","0.71073","MoKα","","0.112","0.1077","","","0.2714","0.2762","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022764","7.314","0.0013","7.7055","0.0011","11.226","0.003","87.946","0.015","89.412","0.013","72.355","0.01","602.5","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Br2 N3 O3 -","- C10 H7 Br2 N3 O3 -","- C20 H14 Br4 N6 O6 -","2","1","","Kathryn M. Evans; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; Nicholas J. Westwood","An Improved Understanding of the Reaction of Bis(bromomethyl)quinoxaline 1-N-Oxides with Amines Using Substituent Effects","Journal of Organic Chemistry","2007","72","","3186","3193","10.1021/jo062380y","","","0.71073","MoKα","","0.0314","0.027","","","0.0709","0.0739","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022765","10.628","0.002","12","0.002","14.657","0.003","69.313","0.014","84.535","0.016","64.991","0.015","1581.6","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 F9 N5 O2 -","- C32 H24 F9 N5 O2 -","- C64 H48 F18 N10 O4 -","2","1","","Andreas Schmidt; Tobias Habeck; Anika Sabine Lindner; Bohdan Snovydovych; Jan Christoph Namyslo; Arnold Adam; Mimoza Gjikaj","Translation of Pseudo-Cross-Conjugation into Chemistry: Cycloadditions of Mesomeric Betaines to the New Ring System Spiro[indazole-3,3'-pyrrole]","Journal of Organic Chemistry","2007","72","","2236","2239","10.1021/jo062391r","","","0.71073","MoKα","","0.0927","0.0859","","","0.1413","0.1167","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022766","9.6272","0.0009","8.7501","0.0006","30.305","0.002","90","","90.34","0.01","90","","2552.8","0.3","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","2","","James D. White; Laura Quaranta; Guoqiang Wang","Studies on the Synthesis of (-)-Gymnodimine. Subunit Synthesis and Coupling","Journal of Organic Chemistry","2007","72","","1717","1728","10.1021/jo062396o","","","1.54184","CuKα","","0.0491","0.0445","","","0.1235","0.1299","","","","","","1.033","","","","has coordinates,has disorder","178406","2020-10-21","18:00:00",""
"4022767","9.4202","0.0008","6.8832","0.0006","12.5381","0.0009","90","","101.54","0.009","90","","796.55","0.11","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","James D. White; Laura Quaranta; Guoqiang Wang","Studies on the Synthesis of (-)-Gymnodimine. Subunit Synthesis and Coupling","Journal of Organic Chemistry","2007","72","","1717","1728","10.1021/jo062396o","","","1.54184","CuKα","","0.0334","0.0331","","","0.0874","0.0878","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022768","9.378","0.0011","10.968","0.0012","13.966","0.001","90","","90","","90","","1436.5","0.3","293","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","James D. White; Laura Quaranta; Guoqiang Wang","Studies on the Synthesis of (-)-Gymnodimine. Subunit Synthesis and Coupling","Journal of Organic Chemistry","2007","72","","1717","1728","10.1021/jo062396o","","","1.54184","CuKα","","0.037","0.034","","","0.091","0.0933","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022769","13.927","0.003","9.874","0.002","15.389","0.004","90","","96.09","0.005","90","","2104.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Keith J. Winstanley; David K. Smith","Ortho-Substituted Catechol Derivatives: The Effect of Intramolecular Hydrogen-Bonding Pathways on Chloride Anion Recognition","Journal of Organic Chemistry","2007","72","","2803","2815","10.1021/jo0623989","","","0.71073","MoKα","","0.0683","0.0421","","","0.0992","0.1109","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022770","11.9823","0.0006","10.0231","0.0004","11.6468","0.0006","90","","93.332","0.002","90","","1396.41","0.11","150","1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Lily Yu; Akos Kokai; Andrei K. Yudin","Preparation and Reactivity of Versatile α-Amino Ketones","Journal of Organic Chemistry","2007","72","","1737","1741","10.1021/jo062401o","","","0.71073","MoKα","","0.0685","0.0438","","","0.1035","0.118","","","","","","1.031","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022771","8.425","0.0006","12.571","0.001","20.335","0.0019","90","","91.167","0.007","90","","2153.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","11-Methyl-8-spiroepoxy-tricyclo[5.2.2.01,5]undec-3,10-dien-9-one","","","- C26 H27 O4 -","- C26 H27 O4 -","- C104 H108 O16 -","4","1","","Vishwakarma Singh; G. D. Praveena; Kapil Karki; Shaikh M. Mobin","Cycloaddition of Cyclohexa-2,4-dienones, Ring-Closing Metathesis, and Photochemical Reactions: A Common Stereoselective Approach to Duprezianane, Polyquinane and Sterpurane Frameworks","Journal of Organic Chemistry","2007","72","","2058","2067","10.1021/jo062416m","","","0.71073","MoKα","","0.3346","0.0666","","","0.1012","0.15","","","","","","0.911","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022772","6.6133","0.0003","19.6445","0.0008","16.8723","0.0007","90","","90.272","0.002","90","","2191.94","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H19.5 Cl2.5 N2 O2 S -","- C23.5 H19.5 Cl2.5 N2 O2 S -","- C94 H78 Cl10 N8 O8 S4 -","4","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","Diels-Alder Reactions of 4-Alkenylthiazoles: A New Approach to Thiazole Functionalization","Journal of Organic Chemistry","2007","72","","2097","2105","10.1021/jo062417e","","","0.71073","MoKα","","0.0438","0.0387","","","0.0894","0.092","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022773","13.266","0.0006","13.1031","0.0006","19.4948","0.0009","90","","93.459","0.002","90","","3382.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Cl4 N3 O4 S -","- C35 H31 Cl4 N3 O4 S -","- C140 H124 Cl16 N12 O16 S4 -","4","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","Diels-Alder Reactions of 4-Alkenylthiazoles: A New Approach to Thiazole Functionalization","Journal of Organic Chemistry","2007","72","","2097","2105","10.1021/jo062417e","","","0.71073","MoKα","","0.0581","0.0487","","","0.1066","0.1111","","","","","","1.093","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022774","7.4571","0.0015","8.4721","0.0017","22.88","0.005","90","","90","","90","","1445.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.71073","MoKα","","0.0822","0.0679","","","0.1701","0.1792","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022775","6.7769","0.0014","9.5119","0.0019","11.533","0.002","90","","92.86","0.03","90","","742.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.71073","MoKα","","0.0649","0.0495","","","0.1172","0.1232","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022776","11.003","0.002","5.9276","0.0012","13.224","0.003","90","","108.59","0.03","90","","817.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O7 -","- C15 H21 N O7 -","- C30 H42 N2 O14 -","2","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.71073","MoKα","","0.0732","0.0465","","","0.0912","0.0973","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022777","9.6256","0.0019","9.795","0.002","14.391","0.003","90","","90","","90","","1356.8","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C52 H76 N4 O24 -","4","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.7107","MoKα","","0.0403","0.0364","","","0.0857","0.0876","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022778","8.2","0.0005","9.7577","0.0006","34.842","0.002","90","","90","","90","","2787.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O12 S -","- C25 H29 N O12 S -","- C100 H116 N4 O48 S4 -","4","1","","David Crich; Wenju Li","O-Sialylation with N-Acetyl-5-N,4-O-Carbonyl-Protected Thiosialoside Donors in Dichloromethane: Facile and Selective Cleavage of the Oxazolidinone Ring","Journal of Organic Chemistry","2007","72","","2387","2391","10.1021/jo062431r","","","0.71073","MoKα","","0.0549","0.0462","","","0.1173","0.1232","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022779","13.3486","0.0015","7.963","0.0009","13.8757","0.0015","90","","93.676","0.002","90","","1471.9","0.3","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cyclobutaindene","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","A Facile Phenol-Driven Intramolecular Diastereoselective Thermal/Base-Catalyzed Dipolar [2 + 2] Annulation Reactions: An Easy Access to Complex Bioactive Natural and Unnatural Benzopyran Congeners","Journal of Organic Chemistry","2007","72","","2068","2076","10.1021/jo0624344","","","0.71073","MoKα","","0.1036","0.0501","","","0.1043","0.1259","","","","","","1.01","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022780","10.1385","0.0007","11.8567","0.0008","13.1736","0.0009","90","","97.779","0.001","90","","1569.01","0.19","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","BiCyclononane","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade","A Facile Phenol-Driven Intramolecular Diastereoselective Thermal/Base-Catalyzed Dipolar [2 + 2] Annulation Reactions: An Easy Access to Complex Bioactive Natural and Unnatural Benzopyran Congeners","Journal of Organic Chemistry","2007","72","","2068","2076","10.1021/jo0624344","","","0.71073","MoKα","","0.0513","0.0398","","","0.1027","0.1091","","","","","","1.023","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022781","18.687","0.006","7.638","0.002","19.331","0.006","90","","117.134","0.004","90","","2455.5","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","beta-aminosulfide","","","- C22 H32 N2 O4 S3 -","- C22 H32 N2 O4 S3 -","- C88 H128 N8 O16 S12 -","4","0.5","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.0668","0.0596","","","0.1746","0.1796","","","","","","1.079","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4022782","20.34","0.003","10.8569","0.0016","14.721","0.002","90","","126.919","0.003","90","","2599","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","beta-aminodisulfide","","","- C22 H32 N2 O4 S4 -","- C22 H32 N2 O4 S4 -","- C88 H128 N8 O16 S16 -","4","0.5","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.0682","0.0544","","","0.1486","0.1561","","","","","","1.072","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022783","20.599","0.006","10.696","0.003","14.655","0.004","90","","128.617","0.004","90","","2522.6","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","beta-aminodisulfide","","","- C22 H32 N2 O6 S4 -","- C22 H32 N2 O6 S4 -","- C88 H128 N8 O24 S16 -","4","0.5","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.1023","0.0901","","","0.2712","0.2832","","","","","","1.057","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022784","17.075","0.005","9.416","0.003","20.892","0.005","90","","112.666","0.01","90","","3099.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","beta-aminodisulfie","","","- C13 H20 N O2 S2 -","- C13 H20 N O2 S2 -","- C104 H160 N8 O16 S16 -","8","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.1082","0.0764","","","0.1782","0.1938","","","","","","1.061","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022785","11.7857","0.0013","12.073","0.0013","12.246","0.0013","84.446","0.002","83.35","0.002","61.36","0.002","1517.3","0.3","273","2","296","2","","","","","","","","5","P -1","-P 1","2","beta-aminodisulfie","","","- C26 H40 N2 O4 S4 -","- C26 H40 N2 O4 S4 -","- C52 H80 N4 O8 S8 -","2","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.0574","0.0426","","","0.1049","0.111","","","","","","1.047","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022786","8.875","0.0016","11.612","0.002","15.488","0.003","82.465","0.004","86.737","0.004","74.056","0.004","1521.1","0.5","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","beta-aminodisulfide","N1-(1S*,2S*)-2-[((1S*,2S*)-1,3-dimethyl-2-[(4- methylphenyl) sulfonyl]aminobutyl)disulfanyl]-1-isopropylpropyl-4-methyl-1-benzenesulfonamide","","- C26 H40 N2 O4 S4 -","- C26 H40 N2 O4 S4 -","- C52 H80 N4 O8 S8 -","2","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.1424","0.0617","","","0.0937","0.1093","","","","","","0.935","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022787","18.658","0.006","18.402","0.006","16.909","0.006","90","","108.062","0.006","90","","5520","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta-aminodisulfide","","","- C24 H32 N2 O4 S4 -","- C24 H32 N2 O4 S4 -","- C192 H256 N16 O32 S32 -","8","2","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.281","0.1142","","","0.2252","0.2819","","","","","","0.984","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022788","12.48","0.006","5.868","0.003","25.332","0.012","90","","93.888","0.009","90","","1850.8","1.5","298","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Acetylaziridine","","","- C17 H21 N O6 S -","- C17 H21 N O6 S -","- C68 H84 N4 O24 S4 -","4","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.1116","0.0799","","","0.181","0.1962","","","","","","1.099","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022789","9.3282","0.0019","9.979","0.002","11.563","0.002","95.399","0.003","103.227","0.003","111.406","0.003","956.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","beta-aminosulfie","","","- C18 H20 Cl N O2 S2 -","- C18 H20 Cl N O2 S2 -","- C36 H40 Cl2 N2 O4 S4 -","2","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.2155","0.166","","","0.3387","0.365","","","","","","1.219","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022790","7.7176","0.0016","10.25","0.002","13.69","0.003","97.226","0.004","101.746","0.004","93.587","0.004","1047.5","0.4","273","2","296","2","","","","","","","","6","P -1","-P 1","2","beta-aminosulfide","","","- C19 H24 Cl N O2 S2 -","- C19 H24 Cl N O2 S2 -","- C38 H48 Cl2 N2 O4 S4 -","2","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.1336","0.0599","","","0.1198","0.14","","","","","","0.925","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022791","7.18","0.0014","9.64","0.0019","16.14","0.003","90","","102.4","0.03","90","","1091.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","beta-aminosulfide","","","- C22 H22 N2 O4 S2 -","- C22 H22 N2 O4 S2 -","- C44 H44 N4 O8 S4 -","2","1","","Devarajulu Sureshkumar; Thanikachalam Gunasundari; Venkataraman Ganesh; Srinivasan Chandrasekaran","Regio- and Stereospecific Synthesis of β-Sulfonamidodisulfides and β-Sulfonamidosulfides from Aziridines using Tetrathiomolybdate as a Sulfur Transfer Reagent","Journal of Organic Chemistry","2007","72","","2106","2117","10.1021/jo0624389","","","0.71073","MoKα","","0.0553","0.0451","","","0.1299","0.1469","","","","","","1.231","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022792","7.5015","0.0015","15.005","0.003","24.7939","0.0015","90","","90","","90","","2790.8","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","steroid","","","- C29 H47 O5 -","- C29 H47 O5 -","- C116 H188 O20 -","4","1","","Marcin Górecki; Ewa Jabłońska; Anna Kruszewska; Suszczyńska; Zofia Urbańczyk-Lipkowska; Michael Gerards; Jacek W. Morzycki; Wojciech J. Szczepek; Jadwiga Frelek","Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo~2~(OAc)~4~","Journal of Organic Chemistry","2007","72","","2906","2916","10.1021/jo062445x","","","1.54178","CuKα","","0.2357","0.062","","","0.1354","0.1873","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022793","7.1281","0.001","18.856","0.003","10.036","0.002","90","","93.1","0.03","90","","1347","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H48 O5 -","- C28 H47 O5 -","- C56 H94 O10 -","2","1","","Marcin Górecki; Ewa Jabłońska; Anna Kruszewska; Suszczyńska; Zofia Urbańczyk-Lipkowska; Michael Gerards; Jacek W. Morzycki; Wojciech J. Szczepek; Jadwiga Frelek","Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo~2~(OAc)~4~","Journal of Organic Chemistry","2007","72","","2906","2916","10.1021/jo062445x","","","1.54178","CuKα","","0.2078","0.0526","","","0.1073","0.1468","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022794","21.186","0.002","7.5405","0.001","12.8359","0.0012","90","","119.475","0.008","90","","1785.2","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H31 O3.5 -","- C19 H31 O3.5 -","- C76 H124 O14 -","4","1","","Marcin Górecki; Ewa Jabłońska; Anna Kruszewska; Suszczyńska; Zofia Urbańczyk-Lipkowska; Michael Gerards; Jacek W. Morzycki; Wojciech J. Szczepek; Jadwiga Frelek","Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo~2~(OAc)~4~","Journal of Organic Chemistry","2007","72","","2906","2916","10.1021/jo062445x","","","1.54178","CuKα","","0.1331","0.0505","","","0.1474","0.1815","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022795","5.7422","0.0008","13.106","0.002","22.274","0.003","90","","90","","90","","1676.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O6 S -","- C17 H15 N O6 S -","- C68 H60 N4 O24 S4 -","4","1","","Stephen C. Pelly; Sameshnee Govender; Manuel A. Fernandes; Hans-Günther Schmalz; Charles B. de Koning","Stereoselective Syntheses of the 2-Isopropenyl-2,3-dihydrobenzofuran Nucleus: Potential Chiral Building Blocks for the Syntheses of Tremetone, Hydroxytremetone, and Rotenone","Journal of Organic Chemistry","2007","72","","2857","2864","10.1021/jo062447h","","","0.71073","MoKα","","0.0502","0.0382","","","0.0916","0.0974","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022796","8.3398","0.0001","8.3398","0.0001","37.0388","0.0009","90","","90","","90","","2576.13","0.08","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H12 Cr O4 -","- C14 H12 Cr O4 -","- C112 H96 Cr8 O32 -","8","1","","Stephen C. Pelly; Sameshnee Govender; Manuel A. Fernandes; Hans-Günther Schmalz; Charles B. de Koning","Stereoselective Syntheses of the 2-Isopropenyl-2,3-dihydrobenzofuran Nucleus: Potential Chiral Building Blocks for the Syntheses of Tremetone, Hydroxytremetone, and Rotenone","Journal of Organic Chemistry","2007","72","","2857","2864","10.1021/jo062447h","","","0.71073","MoKα","","0.0281","0.0261","","","0.0657","0.0665","","","","","","1.089","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022797","16.262","0.002","10.0367","0.0014","7.5255","0.0009","90","","90","","90","","1228.3","0.3","158","2","158","2","","","","","","","","2","P n a 21","P 2c -2n","33","","1-(2-ethynyl-1-phenylcyclopropyl)benzene","","- C17 H14 -","- C17 H14 -","- C68 H56 -","4","1","","Michael Schmittel; Atul A. Mahajan; Götz Bucher; Jan W. Bats","Thermal C^2^-C^6^ Cyclization of Enyne-Allenes. Experimental Evidence for a Stepwise Mechanism and for an Unusual Thermal Silyl Shift","Journal of Organic Chemistry","2007","72","","2166","2173","10.1021/jo062448+","","","0.71073","MoKα","","0.0576","0.0423","","","0.0913","0.0989","","","","","","1.135","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022798","27.611","0.006","10.9289","0.0018","35.287","0.008","90","","110.669","0.01","90","","9963","3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H51 Br2 N Si -","- C59.71 H51 Br2 N Si -","- C477.68 H408 Br16 N8 Si8 -","8","1","","Michael Schmittel; Atul A. Mahajan; Götz Bucher; Jan W. Bats","Thermal C^2^-C^6^ Cyclization of Enyne-Allenes. Experimental Evidence for a Stepwise Mechanism and for an Unusual Thermal Silyl Shift","Journal of Organic Chemistry","2007","72","","2166","2173","10.1021/jo062448+","","","0.71073","MoKα","","0.2023","0.1131","","","0.1772","0.2056","","","","","","1.2","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022799","16.65","0.003","10.1806","0.0019","16.742","0.003","90","","118.77","0.003","90","","2487.6","0.8","197","2","197","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 I2 N4 P -","- C18 H39 I2 N4 P -","- C72 H156 I8 N16 P4 -","4","1","","Jesudoss V. Kingston; John G. Verkade","Synthesis and Characterization of R~2~PN=P(^i^BuNCH~2~CH~2~)~3~N: A New Bulky Electron-Rich Phosphine for Efficient Pd-Assisted Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2007","72","","2816","2822","10.1021/jo062452l","","","0.71073","MoKα","","0.0363","0.0267","","","0.0721","0.0848","","","","","","0.769","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022800","20.503","0.004","11.297","0.002","18.369","0.004","90","","90","","90","","4254.6","1.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H39 N5 P -","- C18 H39 N5 P -","- C144 H312 N40 P8 -","8","2","","Jesudoss V. Kingston; John G. Verkade","Synthesis and Characterization of R~2~PN=P(^i^BuNCH~2~CH~2~)~3~N: A New Bulky Electron-Rich Phosphine for Efficient Pd-Assisted Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2007","72","","2816","2822","10.1021/jo062452l","","","0.71073","MoKα","","0.0405","0.0343","","","0.0895","0.095","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022801","10.0374","0.0018","10.3404","0.0019","16.234","0.003","89.909","0.003","86.599","0.003","66.722","0.003","1544.6","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H57 N5 P2 -","- C26 H57 N5 P2 -","- C52 H114 N10 P4 -","2","1","","Jesudoss V. Kingston; John G. Verkade","Synthesis and Characterization of R~2~PN=P(^i^BuNCH~2~CH~2~)~3~N: A New Bulky Electron-Rich Phosphine for Efficient Pd-Assisted Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2007","72","","2816","2822","10.1021/jo062452l","","","0.71073","MoKα","","0.0666","0.049","","","0.1299","0.1468","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022802","9.843","0.002","19.5","0.004","19.388","0.004","90","","96.28","0.005","90","","3698.8","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H37 I2 N4 O2 Rh -","- C38 H36.5 I2 N4 O2 Rh -","- C152 H146 I8 N16 O8 Rh4 -","4","2","","Qin Xu; Xingxing Gu; Sijia Liu; Qinyu Dou; Min Shi","The Use of Chiral BINAM NHC-Rh(III) Complexes in Enantioselective Hydrosilylation of 3-Oxo-3-arylpropionic Acid Methyl or Ethyl Esters","Journal of Organic Chemistry","2007","72","","2240","2242","10.1021/jo062453d","","","0.71073","MoKα","","0.1202","0.1014","","","0.2643","0.2781","","","","","","1.019","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022803","13.8942","0.0007","8.4501","0.0004","25.2995","0.0013","90","","98.539","0.003","90","","2937.4","0.3","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H27 Br O4 -","- C37 H27 Br O4 -","- C148 H108 Br4 O16 -","4","2","","Ken Tanaka; Takeshi Suda; Keiichi Noguchi; Masao Hirano","Catalytic [2 + 2 + 2] and Thermal [4 + 2] Cycloaddition of 1,2-Bis(arylpropiolyl)benzenes","Journal of Organic Chemistry","2007","72","","2243","2246","10.1021/jo0624546","","","1.54187","CuKα","","0.1011","0.0695","","","0.2001","0.2333","","","","","","1.035","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022804","11.064","0.002","38.215","0.008","12.976","0.003","90","","104.53","0.03","90","","5310.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H47 Cl9 N2 O4 -","- C57 H46 Cl9 N2 O4 -","- C228 H184 Cl36 N8 O16 -","4","1","","Yongjun Li; Haiyan Zheng; Yuliang Li; Shu Wang; Ziyu Wu; Peng Liu; Zengqiang Gao; Huibiao Liu; Daoben Zhu","Photonic Logic Gates Based on Control of FRET by a Solvatochromic Perylene Bisimide","Journal of Organic Chemistry","2007","72","","2878","2885","10.1021/jo0624748","","","0.9","synchrotronX-ray(3W1AbeamlineofBSRF)","","0.1011","0.0936","","","0.3288","0.3481","","","","","","1.024","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022805","9.3997","0.0007","10.0174","0.0008","17.1329","0.0014","90","","92.718","0.004","90","","1611.4","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(cyclohex-1-en-1-yl)diphenyl phosphine borane","","- C18 H22 B P -","- C18 H22 B P -","- C72 H88 B4 P4 -","4","2","","Delphine Julienne; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont","Palladium-Catalyzed C-P Coupling Reactions between Vinyl Triflates and Phosphine-Boranes: Efficient Access to Vinylphosphine-Boranes","Journal of Organic Chemistry","2007","72","","2247","2250","10.1021/jo062482o","","","0.71073","MoKα","","0.0738","0.0499","","","0.1304","0.1515","","","","","","1.061","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022806","9.44","0.0004","10.0459","0.0004","20.4407","0.0008","90","","90","","90","","1938.46","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)diphenylphosphineborane","","- C22 H28 B P -","- C22 H28 B P -","- C88 H112 B4 P4 -","4","1","","Delphine Julienne; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont","Palladium-Catalyzed C-P Coupling Reactions between Vinyl Triflates and Phosphine-Boranes: Efficient Access to Vinylphosphine-Boranes","Journal of Organic Chemistry","2007","72","","2247","2250","10.1021/jo062482o","","","0.71073","MoKα","","0.0338","0.031","","","0.0842","0.0908","","","","","","1.12","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022807","15.4488","0.0003","12.4809","0.0002","19.826","0.0004","90","","98.374","0.001","90","","3781.99","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1,1-diphenylprop-1-en-2-yl)methylphenylphosphine-borane","","- C22 H24 B P -","- C22 H24 B P -","- C176 H192 B8 P8 -","8","1","","Delphine Julienne; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont","Palladium-Catalyzed C-P Coupling Reactions between Vinyl Triflates and Phosphine-Boranes: Efficient Access to Vinylphosphine-Boranes","Journal of Organic Chemistry","2007","72","","2247","2250","10.1021/jo062482o","","","0.71073","MoKα","","0.0735","0.0469","","","0.1292","0.1541","","","","","","1.049","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022808","14.826","0.014","15.207","0.014","16.194","0.012","107.58","0.017","111.65","0.02","97.296","0.013","3116","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H66 Cl6 N8 O4 -","- C64 H66 Cl6 N8 O4 -","- C128 H132 Cl12 N16 O8 -","2","1","","Evgeny A. Katayev; Nikolay V. Boev; Victor N. Khrustalev; Yuri A. Ustynyuk; I. G. Tananaev; Jonathan L. Sessler","Bipyrrole- and Dipyrromethane-Based Amido-imine Hybrid Macrocycles. New Receptors for Oxoanions","Journal of Organic Chemistry","2007","72","","2886","2896","10.1021/jo0624849","","","0.71073","MoKα","","0.0953","0.0686","","","0.1633","0.181","","","","","","1.026","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022809","14.1044","0.0019","14.891","0.002","18.791","0.003","89.975","0.005","76.025","0.005","88.303","0.005","3828.1","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C72.5 H85.5 Cl4.5 N8 O5 S3 -","- C72.5 H85.5 Cl4.5 N8 O5 S3 -","- C145 H171 Cl9 N16 O10 S6 -","2","1","","Evgeny A. Katayev; Nikolay V. Boev; Victor N. Khrustalev; Yuri A. Ustynyuk; I. G. Tananaev; Jonathan L. Sessler","Bipyrrole- and Dipyrromethane-Based Amido-imine Hybrid Macrocycles. New Receptors for Oxoanions","Journal of Organic Chemistry","2007","72","","2886","2896","10.1021/jo0624849","","","0.71073","MoKα","","0.1858","0.0973","","","0.2073","0.2399","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022810","16.94","0.03","32.91","0.04","13.758","0.018","90","","95.16","0.02","90","","7640","18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68.5 H71.5 Cl10.5 N8 O6 S -","- C68.5 H71.5 Cl10.5 N8 O6 S -","- C274 H286 Cl42 N32 O24 S4 -","4","1","","Evgeny A. Katayev; Nikolay V. Boev; Victor N. Khrustalev; Yuri A. Ustynyuk; I. G. Tananaev; Jonathan L. Sessler","Bipyrrole- and Dipyrromethane-Based Amido-imine Hybrid Macrocycles. New Receptors for Oxoanions","Journal of Organic Chemistry","2007","72","","2886","2896","10.1021/jo0624849","","","0.71073","MoKα","","0.2351","0.0765","","","0.1584","0.2035","","","","","","0.792","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022811","13.6128","0.0017","14.7819","0.0019","19.996","0.003","95.734","0.005","103.59","0.005","110.139","0.005","3599.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H92 N8 O6 S4 -","- C77 H92 N8 O6 S4 -","- C154 H184 N16 O12 S8 -","2","1","","Evgeny A. Katayev; Nikolay V. Boev; Victor N. Khrustalev; Yuri A. Ustynyuk; I. G. Tananaev; Jonathan L. Sessler","Bipyrrole- and Dipyrromethane-Based Amido-imine Hybrid Macrocycles. New Receptors for Oxoanions","Journal of Organic Chemistry","2007","72","","2886","2896","10.1021/jo0624849","","","0.71073","MoKα","","0.2172","0.0792","","","0.1368","0.1598","","","","","","1.005","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022812","14.0652","0.0012","14.3088","0.0012","17.4459","0.0015","87.15","0.002","75.536","0.001","76.178","0.002","3301.2","0.5","187","2","187","2","","","","","","","","4","P -1","-P 1","2","","","","- C109 H56 Co N4 -","- C109 H56 Co N4 -","- C218 H112 Co2 N8 -","2","1","","Min Zheng; Fangfang Li; Zujin Shi; Xiang Gao; Karl M. Kadish","Electrosynthesis and Characterization of 1,2-Dibenzyl C~60~: A Revisit","Journal of Organic Chemistry","2007","72","","2538","2542","10.1021/jo062486t","","","0.71073","MoKα","","0.1245","0.0886","","","0.2228","0.2552","","","","","","1.029","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022813","7.51","0.02","8.08","0.02","12.98","0.02","80.83","0.07","83.69","0.08","87.54","0.06","773","3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","1","0.5","","Susmita Podder; Joyanta Choudhury; Sujit Roy","Secondary Benzylation with Benzyl Alcohols Catalyzed by A High-Valent Heterobimetallic Ir-Sn Complex","Journal of Organic Chemistry","2007","72","","3129","3132","10.1021/jo0625094","","","0.71073","MoKα","","0.0538","0.0476","","","0.1199","0.1225","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022814","14.1327","0.0004","10.9042","0.0003","17.7449","0.0006","90","","93.3188","0.0011","90","","2730.01","0.14","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H38 N2 O7 Si -","- C23 H38 N2 O7 Si -","- C92 H152 N8 O28 Si4 -","4","2","","Antonio Manetto; Dimitris Georganakis; Leondios Leondiadis; Thanasis Gimisis; Peter Mayer; Thomas Carell; Chryssostomos Chatgilialoglu","Independent Generation of C5'-Nucleosidyl Radicals in Thymidine and 2'-Deoxyguanosine","Journal of Organic Chemistry","2007","72","","3659","3666","10.1021/jo062518c","","","0.71073","MoKα","","0.0839","0.0621","","","0.1636","0.1774","","","","","","1.06","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022815","13.7345","0.0012","16.8989","0.0016","17.6432","0.0017","90","","90","","90","","4095","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C184 H176 N16 O40 -","8","1","","Jing Wu; Fang Fang; Wen-Ya Lu; Jun-Li Hou; Chuang Li; Zong-Quan Wu; Xi-Kui Jiang; Zhan-Ting Li; Yi-Hua Yu","Dynamic [2]Catenanes Based on a Hydrogen Bonding-Mediated Bis-Zinc Porphyrin Foldamer Tweezer: A Case Study","Journal of Organic Chemistry","2007","72","","2897","2905","10.1021/jo062523g","","","0.71073","MoKα","","0.0969","0.0459","","","0.093","0.1053","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022816","10.5861","0.0008","14.5692","0.0012","14.5369","0.0012","90","","100.128","0.002","90","","2207.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C96 H104 N8 O28 -","4","1","","Jing Wu; Fang Fang; Wen-Ya Lu; Jun-Li Hou; Chuang Li; Zong-Quan Wu; Xi-Kui Jiang; Zhan-Ting Li; Yi-Hua Yu","Dynamic [2]Catenanes Based on a Hydrogen Bonding-Mediated Bis-Zinc Porphyrin Foldamer Tweezer: A Case Study","Journal of Organic Chemistry","2007","72","","2897","2905","10.1021/jo062523g","","","0.71073","MoKα","","0.077","0.0397","","","0.0797","0.0879","","","","","","0.809","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022817","6.9541","0.0011","7.3175","0.0012","25.34","0.004","88.147","0.002","87.342","0.002","74.155","0.002","1238.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","06092a","","","- C25 H30 Br N O6 -","- C25 H30 Br N O6 -","- C50 H60 Br2 N2 O12 -","2","1","","Aleksey I. Gerasyuto; Richard P. Hsung","An Intramolecular aza-[3 + 3] Annulation Approach to Azaphenalene Alkaloids. Total Synthesis of Myrrhine","Journal of Organic Chemistry","2007","72","","2476","2484","10.1021/jo062533h","","","0.71073","MoKα","","0.0693","0.0549","","","0.1129","0.1167","","","","","","1.155","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022818","8.1872","0.0014","15.038","0.003","20.491","0.004","90","","90","","90","","2522.8","0.7","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C104 H104 Br8 O16 -","8","1","","Ireneusz Nowak; Morris J. Robins","Trifluoromethylation of Alkenyl Bromides and Iodides (Including 5-Iodouracils) with (CF~3~)~2~Hg and Cu (""Trifluoromethylcopper"")","Journal of Organic Chemistry","2007","72","","2678","2681","10.1021/jo062544a","","","0.71073","MoKα","","0.0638","0.0375","","","0.0898","0.1074","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022819","10.244","0.003","4.5021","0.0014","33.041","0.009","90","","97.034","0.008","90","","1512.3","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4-dimethoxy-1-nitrobenzo[c]phenanthrene (7aNO2)","3,4-dimethoxy-1-nitrobenzo[c]phenanthrene","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Cédric Brulé; Kenneth K. Laali; Takao Okazaki; Mahesh K. Lakshman","Structure/Reactivity Relationships in the Benzo[c]phenanthrene Skeleton: Stable Ion and Electrophilic Substitution (Nitration, Bromination) Study of Substituted Analogues, Novel Carbocations and Substituted Derivatives","Journal of Organic Chemistry","2007","72","","3232","3241","10.1021/jo0625453","","","0.71073","MoKα","","0.0605","0.0398","","","0.1055","0.1324","","","","","","0.771","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022820","8.115","0.003","18.042","0.006","9.525","0.003","90","","90","","90","","1394.7","0.8","130","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0614","0.0587","","","0.1624","0.1637","","","","","","1.162","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022821","7.8118","0.0008","18.6118","0.0018","19.9122","0.0019","90","","90","","90","","2895.1","0.5","130","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C136 H144 O40 -","8","1","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0699","0.0479","","","0.1171","0.1256","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022822","10.348","0.003","7.9547","0.0018","14.484","0.004","90","","100.102","0.005","90","","1173.8","0.5","130","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.1639","0.0526","","","0.0992","0.1166","","","","","","0.732","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022823","8.2293","0.0009","17.9162","0.0019","9.5373","0.001","90","","90","","90","","1406.2","0.3","130","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0404","0.0359","","","0.1015","0.1043","","","","","","1.031","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022824","8.337","0.0006","14.6301","0.0011","10.1018","0.0008","90","","106.14","0.001","90","","1183.56","0.15","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0417","0.0367","","","0.0968","0.0995","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022825","11.497","0.005","10.691","0.005","16.431","0.005","90","0.005","92.002","0.005","90","0.005","2018.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C96 H88 N8 O8 S4 -","4","1","","Shikha Gandhi; Alakesh Bisai; B. A. Bhanu Prasad; Vinod K. Singh","Studies on the Reaction of Aziridines with Nitriles and Carbonyls: Synthesis of Imidazolines and Oxazolidines","Journal of Organic Chemistry","2007","72","","2133","2142","10.1021/jo062564c","","","0.71069","MoKα","","0.2373","0.0634","","","0.0981","0.1091","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022826","17.156","0.003","11.5476","0.0018","22.209","0.003","90","","90","","90","","4400","1.2","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H30 O5 -","- C26 H30 O5 -","- C208 H240 O40 -","8","1","","Raşit Çalişkan; Mohamed Fadelalla Ali; Ertan Şahin; William H. Watson; Metin Balci","Unusual Manganese(III)-Mediated Oxidative Free Radical Additions of 1,3-Dicarbonyl Compounds to Benzonorbornadiene and 7-Heterobenzonorbornadienes: Mechanistic Studies","Journal of Organic Chemistry","2007","72","","3353","3359","10.1021/jo0625711","","","0.71073","MoKα","","0.0468","0.0318","","","0.0785","0.0841","","","","","","0.99","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022827","17.283","0.002","22.136","0.003","7.4999","0.0009","90","","90","","90","","2869.2","0.6","213","2","213","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H20 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","","Raşit Çalişkan; Mohamed Fadelalla Ali; Ertan Şahin; William H. Watson; Metin Balci","Unusual Manganese(III)-Mediated Oxidative Free Radical Additions of 1,3-Dicarbonyl Compounds to Benzonorbornadiene and 7-Heterobenzonorbornadienes: Mechanistic Studies","Journal of Organic Chemistry","2007","72","","3353","3359","10.1021/jo0625711","","","0.71073","MoKα","","0.1131","0.0619","","","0.102","0.118","","","","","","1.041","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022828","9.7608","0.0005","20.7728","0.0008","9.7588","0.0005","90","","113.587","0.01","90","","1813.37","0.19","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Raşit Çalişkan; Mohamed Fadelalla Ali; Ertan Şahin; William H. Watson; Metin Balci","Unusual Manganese(III)-Mediated Oxidative Free Radical Additions of 1,3-Dicarbonyl Compounds to Benzonorbornadiene and 7-Heterobenzonorbornadienes: Mechanistic Studies","Journal of Organic Chemistry","2007","72","","3353","3359","10.1021/jo0625711","","x-ray","0.71073","MoKα","","0.1435","0.0895","","","0.179","0.2055","","","","","","1.101","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022829","7.2244","0.0012","11.634","0.002","16.513","0.003","81.619","0.003","84.219","0.003","89.985","0.003","1366","0.4","193","2","193","2","","","","","","","","4","P 1","P 1","1","2,3-Dibenzyl-1-oxo-2,3,3a,4,8,8a-hexahydro-1h-2,4a-diaza-s-indacine- 4,5,6-tricarboxylic acid 4-ethyl ester 5,6-dimethylester (3S, 3aR, 4R, 8aR)","","","- C31 H32 N2 O7 -","- C31 H32 N2 O7 -","- C62 H64 N4 O14 -","2","2","","William V. Murray; David Francois; Amy Maden; Ignatius Turchi","An Azomethine Ylide Approach to Complex Alkaloid-like Heterocycles","Journal of Organic Chemistry","2007","72","","3097","3099","10.1021/jo062579a","","","0.71073","MoKα","","0.102","0.0666","","","0.119","0.1329","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022830","9.2495","0.0018","8.9167","0.0018","26.294","0.005","90","","90.39","0.03","90","","2168.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O4 Si -","- C24 H24 O4 Si -","- C96 H96 O16 Si4 -","4","1","","Junhui Liu; Xiaohua Sun; Mikihiro Miyazaki; Lantao Liu; Congyang Wang; Zhenfeng Xi","Synthesis of Multiply Substituted Alkylidene Silacyclohexadiene Derivatives via Palladium-Catalyzed Insertion of Alkynes into Alkylidene Silacyclobutenes","Journal of Organic Chemistry","2007","72","","3137","3140","10.1021/jo062583m","","","0.71073","MoKα","","0.0761","0.0468","","","0.1093","0.1192","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022831","11.2389","0.0011","11.9684","0.001","14.7992","0.0013","90","","90","","90","","1990.7","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound-29a","","","- C22 H19 N3 O4 S -","- C22 H19 N3 O4 S -","- C88 H76 N12 O16 S4 -","4","1","","Carl J. Lovely; Hongwang Du; Rasapalli Sivappa; Manojkumar R. Bhandari; Yong He; H. V. Rasika Dias","Preparation and Diels-Alder Chemistry of 4-Vinylimidazoles","Journal of Organic Chemistry","2007","72","","3741","3749","10.1021/jo0626008","","","0.71073","MoKα","","0.0374","0.0319","","","0.0755","0.0791","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022832","9.2165","0.0018","15.144","0.003","20.742","0.004","90","","101.92","0.02","90","","2832.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound-31f","","","- C33 H28 N4 O4 -","- C33 H28 N4 O4 -","- C132 H112 N16 O16 -","4","1","","Carl J. Lovely; Hongwang Du; Rasapalli Sivappa; Manojkumar R. Bhandari; Yong He; H. V. Rasika Dias","Preparation and Diels-Alder Chemistry of 4-Vinylimidazoles","Journal of Organic Chemistry","2007","72","","3741","3749","10.1021/jo0626008","","","0.71073","MoKα","","0.0754","0.0439","","","0.0993","0.1146","","","","","","1.003","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022833","20.938","0.006","9.3858","0.0018","13.54","0.002","90","","93.114","0.017","90","","2657","1","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound-33e","","","- C32 H26 N4 O5 -","- C32 H26 N4 O5 -","- C128 H104 N16 O20 -","4","1","","Carl J. Lovely; Hongwang Du; Rasapalli Sivappa; Manojkumar R. Bhandari; Yong He; H. V. Rasika Dias","Preparation and Diels-Alder Chemistry of 4-Vinylimidazoles","Journal of Organic Chemistry","2007","72","","3741","3749","10.1021/jo0626008","","","0.71073","MoKα","","0.0588","0.0482","","","0.1253","0.1329","","","","","","1.076","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022834","7.8332","0.0004","19.6684","0.0009","9.8075","0.0005","90","","113.35","0.001","90","","1387.26","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound-39e","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Carl J. Lovely; Hongwang Du; Rasapalli Sivappa; Manojkumar R. Bhandari; Yong He; H. V. Rasika Dias","Preparation and Diels-Alder Chemistry of 4-Vinylimidazoles","Journal of Organic Chemistry","2007","72","","3741","3749","10.1021/jo0626008","","","0.71073","MoKα","","0.0423","0.0401","","","0.1052","0.1078","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022835","12.5202","0.0018","16.7045","0.0019","11.4429","0.0017","90","","113.381","0.01","90","","2196.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound-51","","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C104 H88 N16 O16 -","4","1","","Carl J. Lovely; Hongwang Du; Rasapalli Sivappa; Manojkumar R. Bhandari; Yong He; H. V. Rasika Dias","Preparation and Diels-Alder Chemistry of 4-Vinylimidazoles","Journal of Organic Chemistry","2007","72","","3741","3749","10.1021/jo0626008","","","0.71073","MoKα","","0.0453","0.0352","","","0.0859","0.0917","","","","","","1.026","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022836","12.7244","0.0017","6.5787","0.0009","8.8078","0.0012","90","","102.61","0.01","90","","719.52","0.17","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3-diiodopropionic acid","","- C3 H4 I2 O2 -","- C3 H4 I2 O2 -","- C12 H16 I8 O8 -","4","1","","Andrei S. Batsanov; Jonathan P. Knowles; Andrew Whiting","Mechanistic Studies on the Heck-Mizoroki Cross-Coupling Reaction of a Hindered Vinylboronate Ester as a Key Approach to Developing a Highly Stereoselective Synthesis of a C1-C7 Z,Z,E-Triene Synthon for Viridenomycin","Journal of Organic Chemistry","2007","72","","2525","2532","10.1021/jo0626010","","","0.71073","MoKα","","0.0207","0.0181","","","0.0442","0.0451","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022837","14.8647","0.0016","15.086","0.003","15.349","0.003","100.494","0.015","98.176","0.011","111.896","0.013","3055.9","0.8","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 B5 N5 O10 -","- C60 H50 B5 N5 O10 -","- C120 H100 B10 N10 O20 -","2","1","","Nicolas Christinat; Rosario Scopelliti; Kay Severin","Multicomponent Assembly of Boron-Based Dendritic Nanostructures","Journal of Organic Chemistry","2007","72","","2192","2200","10.1021/jo062607p","","","0.71073","MoKα","","0.2455","0.0802","","","0.1725","0.2234","","","","","","0.765","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022838","13.2245","0.0019","14.709","0.002","17.609","0.003","71.844","0.015","81.373","0.013","83.91","0.013","3211.5","0.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H53 B5 F5 N5 O10 -","- C73 H52 B5 F5 N5 O10 -","- C146 H104 B10 F10 N10 O20 -","2","1","","Nicolas Christinat; Rosario Scopelliti; Kay Severin","Multicomponent Assembly of Boron-Based Dendritic Nanostructures","Journal of Organic Chemistry","2007","72","","2192","2200","10.1021/jo062607p","","","0.71073","MoKα","","0.2529","0.0858","","","0.2085","0.2743","","","","","","0.861","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022839","24.05","0.005","25.72","0.003","16.369","0.004","90","","90.566","0.014","90","","10125","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.25 H66 B5 N5 O10 -","- C49.26 H60 B5 N5 O10 -","- C394.08 H480 B40 N40 O80 -","8","2","","Nicolas Christinat; Rosario Scopelliti; Kay Severin","Multicomponent Assembly of Boron-Based Dendritic Nanostructures","Journal of Organic Chemistry","2007","72","","2192","2200","10.1021/jo062607p","","","0.71073","MoKα","","0.1386","0.0962","","","0.2435","0.291","","","","","","1.026","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022840","15.9647","0.0019","16.2747","0.0018","19.192","0.002","112.104","0.008","101.901","0.009","94.52","0.009","4452.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C94.5 H73 B5 Cl6 N10 O10 -","- C94.5 H73.01 B5 Cl6 N10 O10 -","- C189 H146.02 B10 Cl12 N20 O20 -","2","1","","Nicolas Christinat; Rosario Scopelliti; Kay Severin","Multicomponent Assembly of Boron-Based Dendritic Nanostructures","Journal of Organic Chemistry","2007","72","","2192","2200","10.1021/jo062607p","","","0.71073","MoKα","","0.1972","0.1268","","","0.3497","0.4102","","","","","","1.556","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022841","8.6668","0.0003","10.8196","0.0003","25.2951","0.0008","90","","97.941","0.002","90","","2349.21","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O7 -","- C27 H29 N O7 -","- C108 H116 N4 O28 -","4","1","","Albert Padwa; Hongjun Zhang","Synthesis of Some Members of the Hydroxylated Phenanthridone Subclass of the Amaryllidaceae Alkaloid Family","Journal of Organic Chemistry","2007","72","","2570","2582","10.1021/jo0626111","","","1.54178","CuKα","","0.0554","0.0403","","","0.098","0.103","","","","","","1.018","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022842","6.9293","0.0008","7.5038","0.0011","10.7401","0.0011","90","","93.891","0.007","90","","557.16","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 F2 N2 O5 -","- C10 H10 F2 N2 O5 -","- C20 H20 F4 N4 O10 -","2","1","","Ireneusz Nowak; Morris J. Robins","Synthesis of 3'-Deoxynucleosides with 2-Oxabicyclo[3.1.0]hexane Sugar Moieties: Addition of Difluorocarbene to a 3',4'-Unsaturated Uridine Derivative and 1,2-Dihydrofurans Derived from D- and L-Xylose","Journal of Organic Chemistry","2007","72","","3319","3325","10.1021/jo062614d","","","0.71073","MoKα","","0.0424","0.0346","","","0.083","0.0877","","","","","","1.043","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022843","6.2374","0.0004","9.8577","0.001","18.1082","0.0014","90","","90","","90","","1113.41","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 F2 N3 O4 -","- C10 H11 F2 N3 O4 -","- C40 H44 F8 N12 O16 -","4","1","","Ireneusz Nowak; Morris J. Robins","Synthesis of 3'-Deoxynucleosides with 2-Oxabicyclo[3.1.0]hexane Sugar Moieties: Addition of Difluorocarbene to a 3',4'-Unsaturated Uridine Derivative and 1,2-Dihydrofurans Derived from D- and L-Xylose","Journal of Organic Chemistry","2007","72","","3319","3325","10.1021/jo062614d","","","0.71073","MoKα","","0.0327","0.0276","","","0.0688","0.0712","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022844","8.4892","0.0011","8.8035","0.0012","20.054","0.003","90","","93","0.002","90","","1496.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 N3 O2 Pd0.5 -","- C11 H24 N3 O2 Pd0.5 -","- C44 H96 N12 O8 Pd2 -","4","1","","Shenghai Li; Yingjie Lin; Jungang Cao; Suobo Zhang","Guanidine/Pd(OAc)~2~-Catalyzed Room Temperature Suzuki Cross-Coupling Reaction in Aqueous Media under Aerobic Conditions","Journal of Organic Chemistry","2007","72","","4067","4072","10.1021/jo0626257","","","0.71073","MoKα","","0.0894","0.0518","","","0.1152","0.1316","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022845","7.9118","0.0007","9.4898","0.0008","11.6979","0.001","86.396","0.001","77.9","0.001","71.556","0.001","814.66","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O3 -","- C17 H15 Br N2 O3 -","- C34 H30 Br2 N4 O6 -","2","1","","Cyril Poriel; Mathilde Lachia; Claire Wilson; James R. Davies; Christopher J. Moody","Oxidative Rearrangement of Indoles: A New Approach to the EFHG-Tetracyclic Core of Diazonamide A","Journal of Organic Chemistry","2007","72","","2978","2987","10.1021/jo062627r","","","0.71073","MoKα","","0.04","0.0336","","","0.0816","0.0849","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022846","11.2623","0.0007","18.3286","0.0012","25.5214","0.0016","90","","90","","90","","5268.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H31 N O7 -","- C30 H31 N O7 -","- C240 H248 N8 O56 -","8","1","","Cyril Poriel; Mathilde Lachia; Claire Wilson; James R. Davies; Christopher J. Moody","Oxidative Rearrangement of Indoles: A New Approach to the EFHG-Tetracyclic Core of Diazonamide A","Journal of Organic Chemistry","2007","72","","2978","2987","10.1021/jo062627r","","","0.71073","MoKα","","0.0634","0.0427","","","0.1008","0.1078","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022847","7.4974","0.0007","8.7395","0.0008","11.8235","0.0011","88.206","0.001","75.981","0.001","68.022","0.001","695.5","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","Cyril Poriel; Mathilde Lachia; Claire Wilson; James R. Davies; Christopher J. Moody","Oxidative Rearrangement of Indoles: A New Approach to the EFHG-Tetracyclic Core of Diazonamide A","Journal of Organic Chemistry","2007","72","","2978","2987","10.1021/jo062627r","","","0.71073","MoKα","","0.0617","0.0577","","","0.1546","0.1585","","","","","","0.983","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022848","12.1908","0.0004","20.4085","0.0009","8.11","0.0003","90","","90","","90","","2017.74","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 O -","- C29 H22 O -","- C116 H88 O4 -","4","1","","Mark A. Forman; Caitlin Moran; Joseph P. Herres; Jason Stairs; Emily Chopko; Anthony Pozzessere; Michael Kerrigan; Carisa Kelly; Lisa Lowchyj; Kerry Salandria; Annemarie Gallo; Elizabeth Loutzenhiser","Generation and Reactions of Pentacyclo[4.3.0.0^2,4^.0^3,8^.0^5,7^]non-4-ene","Journal of Organic Chemistry","2007","72","","2996","3005","10.1021/jo0626313","","","0.71069","MoKα","","0.0392","0.0361","","0.0786","0.0766","","","","1.148","1.151","1.151","","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022849","5.7996","0.0009","11.9907","0.0016","41.103","0.005","90","","90","","90","","2858.4","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N4 O14 -","- C26 H26 N4 O14 -","- C104 H104 N16 O56 -","4","1","","Douglass F. Taber; Jean-Michel Joerger","Preparation of the 5/5-Spiroketal of the Ritterazines","Journal of Organic Chemistry","2007","72","","3454","3457","10.1021/jo0626461","","","0.71073","MoKα","","0.0485","0.0385","","","0.0821","0.0873","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022850","12.69","0.017","13.607","0.017","15.42","0.019","110.49","0.01","109.04","0.01","98.58","0.01","2251","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50.5 Cl5 N8 O8 -","- C36 H45 Cl5 N8 O8 -","- C72 H90 Cl10 N16 O16 -","2","1","","Carla Cruz; Rita Delgado; Michael G. B. Drew; Vítor Félix","Evaluation of the Binding Ability of a Novel Dioxatetraazamacrocyclic Receptor that Contains Two Phenanthroline Units: Selective Uptake of Carboxylate Anions","Journal of Organic Chemistry","2007","72","","4023","4034","10.1021/jo062653p","","","0.71073","MoKα","","0.1481","0.1133","","","0.2289","0.2433","","","","","","1.166","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022851","13.557","0.0018","15.5423","0.0018","20.862","0.003","90","0.01","96.51","0.011","90","0.01","4367.3","1","150","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50.25 Br5 N8 O7.5 -","- C36 H45 Br5 N8 O7.5 -","- C144 H180 Br20 N32 O30 -","4","1","","Carla Cruz; Rita Delgado; Michael G. B. Drew; Vítor Félix","Evaluation of the Binding Ability of a Novel Dioxatetraazamacrocyclic Receptor that Contains Two Phenanthroline Units: Selective Uptake of Carboxylate Anions","Journal of Organic Chemistry","2007","72","","4023","4034","10.1021/jo062653p","","","0.71073","MoKα","","0.2147","0.0574","","","0.1204","0.1396","","","","","","0.74","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022852","10.798","0.003","16.267","0.005","13.239","0.003","90","","106.329","0.015","90","","2231.6","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O4 S2 -","- C24 H23 N O4 S2 -","- C96 H92 N4 O16 S8 -","4","1","","Jovina M. Sorbetti; Kristen N. Clary; Danica A. Rankic; Jeremy E. Wulff; Masood Parvez; Thomas G. Back","Aza-Morita-Baylis-Hillman Reactions and Cyclizations of Conjugated Dienes Activated by Sulfone, Ester, and Keto Groups","Journal of Organic Chemistry","2007","72","","3326","3331","10.1021/jo062655+","","","0.71073","MoKα","","0.0665","0.042","","","0.0973","0.1101","","","","","","1.023","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022853","8.39","0.004","10.134","0.004","11.986","0.005","99.1","0.02","104.52","0.02","105.71","0.02","921.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C38 H36 N4 O10 S2 -","2","1","","Jovina M. Sorbetti; Kristen N. Clary; Danica A. Rankic; Jeremy E. Wulff; Masood Parvez; Thomas G. Back","Aza-Morita-Baylis-Hillman Reactions and Cyclizations of Conjugated Dienes Activated by Sulfone, Ester, and Keto Groups","Journal of Organic Chemistry","2007","72","","3326","3331","10.1021/jo062655+","","","0.71073","MoKα","","0.0707","0.0458","","","0.1042","0.1169","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022854","12.779","0.008","10.326","0.004","15.405","0.009","90","","94.06","0.02","90","","2027.7","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Jovina M. Sorbetti; Kristen N. Clary; Danica A. Rankic; Jeremy E. Wulff; Masood Parvez; Thomas G. Back","Aza-Morita-Baylis-Hillman Reactions and Cyclizations of Conjugated Dienes Activated by Sulfone, Ester, and Keto Groups","Journal of Organic Chemistry","2007","72","","3326","3331","10.1021/jo062655+","","","0.71073","MoKα","","0.0733","0.0469","","","0.1035","0.1183","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022855","8.988","0.002","19.159","0.006","14.801","0.004","90","","103.307","0.012","90","","2480.2","1.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 B F2 N2 O6 -","- C25 H33 B F2 N2 O6 -","- C100 H132 B4 F8 N8 O24 -","4","1","","Hiromitsu Maeda; Yukio Kusunose; Yuta Mihashi; Tadashi Mizoguchi","BF~2~ Complexes of β-Tetraethyl-Substituted Dipyrrolyldiketones as Anion Receptors: Potential Building Subunits for Oligomeric Systems","Journal of Organic Chemistry","2007","72","","2612","2616","10.1021/jo062660d","","","0.71075","MoKα","","0.0462","0.0387","","","0.1039","0.1096","","","","","","1.078","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022856","16.581","","20.907","","9.078","","90","","95.87","","90","","3130.5","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 Cl12 N3 O6 -","- C19 Cl12 N3 O7.794 -","- C76 Cl48 N12 O31.176 -","4","0.5","","Josep Lluís Torres; Anna Carreras; Aurora Jiménez; Enric Brillas; Xavier Torrelles; Jordi Rius; Luis Juliá","Reducing Power of Simple Polyphenols by Electron-Transfer Reactions Using a New Stable Radical of the PTM Series, Tris(2,3,5,6-tetrachloro-4-nitrophenyl)methyl Radical","Journal of Organic Chemistry","2007","72","","3750","3756","10.1021/jo062665a","","","0.71073","MoKα","","0.0924","0.0776","","0.2723","0.2598","","","","1.12","1.228","1.228","","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022857","10.5415","0.0007","12.4658","0.0008","13.8618","0.0009","90","","90","","90","","1821.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Oksana V. Ryabtsova; Valery A. Ozeryanskii; Mikhail E. Kletskii; Zoya A. Starikova; Lucjan Sobczyk; Alexander Filarowski","2-α-Hydroxyalkyl- and 2,7-Di(α-hydroxyalkyl) -1,8-bis(dimethylamino)naphthalenes: Stabilization of Nonconventional In/Out Conformers of ""Proton Sponges"" via N···H-O Intramolecular Hydrogen Bonding. A Remarkable Kind of Tandem Nitrogen Inversion","Journal of Organic Chemistry","2007","72","","3006","3019","10.1021/jo062667v","","","0.71073","MoKα","","0.0358","0.034","","","0.0873","0.089","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022858","26.1078","0.0017","8.7845","0.0006","44.836","0.003","90","","105.842","0.001","90","","9892.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31.5 N2.5 O2 -","- C29 H31.5 N2.5 O2 -","- C464 H504 N40 O32 -","16","2","","Alexander F. Pozharskii; Alexander V. Degtyarev; Oksana V. Ryabtsova; Valery A. Ozeryanskii; Mikhail E. Kletskii; Zoya A. Starikova; Lucjan Sobczyk; Alexander Filarowski","2-α-Hydroxyalkyl- and 2,7-Di(α-hydroxyalkyl) -1,8-bis(dimethylamino)naphthalenes: Stabilization of Nonconventional In/Out Conformers of ""Proton Sponges"" via N···H-O Intramolecular Hydrogen Bonding. A Remarkable Kind of Tandem Nitrogen Inversion","Journal of Organic Chemistry","2007","72","","3006","3019","10.1021/jo062667v","","","0.71073","MoKα","","0.1534","0.0582","","","0.0734","0.0919","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022859","19.757","0.004","8.9547","0.0016","21.234","0.004","90","","90","","90","","3756.6","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C160 H240 N16 O16 -","8","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Oksana V. Ryabtsova; Valery A. Ozeryanskii; Mikhail E. Kletskii; Zoya A. Starikova; Lucjan Sobczyk; Alexander Filarowski","2-α-Hydroxyalkyl- and 2,7-Di(α-hydroxyalkyl) -1,8-bis(dimethylamino)naphthalenes: Stabilization of Nonconventional In/Out Conformers of ""Proton Sponges"" via N···H-O Intramolecular Hydrogen Bonding. A Remarkable Kind of Tandem Nitrogen Inversion","Journal of Organic Chemistry","2007","72","","3006","3019","10.1021/jo062667v","","","0.71073","MoKα","","0.0863","0.0508","","","0.0893","0.0982","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022860","7.19","0.0005","7.699","0.0005","24.8499","0.0012","90","","90.146","0.003","90","","1375.58","0.15","100","1","100","1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl N2 O -","- C14 H17 Cl N2 O -","- C56 H68 Cl4 N8 O4 -","4","2","","Dario Perdicchia; Karl Anker Jørgensen","Asymmetric Aza-Michael Reactions Catalyzed by Cinchona Alkaloids","Journal of Organic Chemistry","2007","72","","3565","3568","10.1021/jo0626717","","x-ray","0.71073","MoKα","","0.0605","0.0477","","","0.1169","0.1217","","","","","","1.035","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022861","9.7474","0.0012","14.4829","0.0014","15.887","0.002","90.737","0.005","98.14","0.006","97.005","0.005","2202.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2R*,3R*,4S*,5S*)-2-methoxycarbonyl-3-(4-methoxyphenyl)-5- (4-methylphenyl)-4-nitropyrrolidine","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","2","","Ana Arrieta; Dorleta Otaegui; Aizpea Zubia; Fernando P. Cossío; Ángel Díaz-Ortiz; Antonio de la Hoz; M. Antonia Herrero; Pilar Prieto; Concepción Foces-Foces; José L. Pizarro; María I. Arriortúa","Solvent-Free Thermal and Microwave-Assisted [3 + 2] Cycloadditions between Stabilized Azomethine Ylides and Nitrostyrenes. An Experimental and Theoretical Study","Journal of Organic Chemistry","2007","72","","4313","4322","10.1021/jo062672z","","","0.71073","MoKα","","0.1019","0.0816","","","0.2069","0.2208","","","","","","1.088","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022862","22.9892","0.0007","14.185","0.0007","11.4255","0.0011","90","","90.157","0.0019","90","","3725.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 N12 O4 -","- C42 H32 N12 O4 -","- C168 H128 N48 O16 -","4","1","","Hai-Bo Yang; De-Xian Wang; Qi-Qiang Wang; Mei-Xiang Wang","Efficient Functionalizations of Heteroatom-Bridged Calix[2]arene[2]triazines on the Larger Rim","Journal of Organic Chemistry","2007","72","","3757","3763","10.1021/jo070001a","","","0.71073","MoKα","","0.1596","0.0606","","","0.1502","0.1905","","","","","","0.75","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022863","7.7348","0.0008","9.2886","0.001","16.28","0.0017","90","","101.646","0.002","90","","1145.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F O2 S -","- C12 H15 F O2 S -","- C48 H60 F4 O8 S4 -","4","1","","Weike Su; Jiuxi Chen; Huayue Wu; Can Jin","A General and Efficient Method for the Selective Synthesis of β-Hydroxy Sulfides and β-Hydroxy Sulfoxides Catalyzed by Gallium(III) Triflate","Journal of Organic Chemistry","2007","72","","4524","4527","10.1021/jo0700124","","","0.71073","MoKα","","0.0714","0.0628","","","0.1248","0.1293","","","","","","1.228","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022864","5.76","0.0013","7.7918","0.0018","12.005","0.003","75.975","0.004","89.036","0.004","87.63","0.004","522.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Cl F O2 S -","- C9 H10 Cl F O2 S -","- C18 H20 Cl2 F2 O4 S2 -","2","1","","Weike Su; Jiuxi Chen; Huayue Wu; Can Jin","A General and Efficient Method for the Selective Synthesis of β-Hydroxy Sulfides and β-Hydroxy Sulfoxides Catalyzed by Gallium(III) Triflate","Journal of Organic Chemistry","2007","72","","4524","4527","10.1021/jo0700124","","","0.71073","MoKα","","0.0756","0.0631","","","0.1361","0.1434","","","","","","1.153","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022865","5.5752","0.0008","17.573","0.003","12.2136","0.0018","90","","93.249","0.003","90","","1194.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O3 S -","- C12 H16 O3 S -","- C48 H64 O12 S4 -","4","1","","Weike Su; Jiuxi Chen; Huayue Wu; Can Jin","A General and Efficient Method for the Selective Synthesis of β-Hydroxy Sulfides and β-Hydroxy Sulfoxides Catalyzed by Gallium(III) Triflate","Journal of Organic Chemistry","2007","72","","4524","4527","10.1021/jo0700124","","","0.71073","MoKα","","0.0982","0.0906","","","0.1718","0.175","","","","","","1.35","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022866","6.1101","0.0002","16.2044","0.0005","9.8807","0.0003","90","","95.641","0.002","90","","973.56","0.05","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N O3 -","- C20 H19 Cl N O3 -","- C40 H38 Cl2 N2 O6 -","2","1","","Mark Bell; Thomas B. Poulsen; Karl Anker Jørgensen","Organocatalytic Enantioselective Nucleophilic Vinylic Substitution by α-Substituted-α-Cyanoacetates under Phase-Transfer Conditions","Journal of Organic Chemistry","2007","72","","3053","3056","10.1021/jo070024p","","x-ray","0.71073","MoKα","","0.0637","0.0441","","","0.1125","0.1208","","","","","","0.952","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022867","14.8016","0.0008","10.8598","0.0005","24.891","0.001","90","","90","","90","","4001","0.4","153.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C192 H176 N16 O32 S8 -","8","1","","Yoko Murakami; Noriyuki Yoshimoto; Nobutaka Fujieda; Kei Ohkubo; Tatsuhiko Hasegawa; Kenji Kano; Shunichi Fukuzumi; Shinobu Itoh","Model Studies of 6,7-Indolequinone Cofactors of Quinoprotein Amine Dehydrogenases","Journal of Organic Chemistry","2007","72","","3369","3380","10.1021/jo0700272","","","0.7107","MoKα","","","0.033","","","","0.045","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022868","8.87","0.01","11.09","0.01","14.48","0.02","90","","98.38","0.06","90","","1408","3","153.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Yoko Murakami; Noriyuki Yoshimoto; Nobutaka Fujieda; Kei Ohkubo; Tatsuhiko Hasegawa; Kenji Kano; Shunichi Fukuzumi; Shinobu Itoh","Model Studies of 6,7-Indolequinone Cofactors of Quinoprotein Amine Dehydrogenases","Journal of Organic Chemistry","2007","72","","3369","3380","10.1021/jo0700272","","","0.7107","MoKα","","","0.045","","","","0.061","","","","","","1.187","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022869","7.258","0.0015","12.171","0.002","17.846","0.003","74.797","0.016","89.679","0.016","79.18","0.016","1492.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cs523","","","- C33 H37 N O12 -","- C33 H37 N O12 -","- C66 H74 N2 O24 -","2","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","1.54178","CuKα","","0.0768","0.0569","","","0.1427","0.1562","","","","","","1.04","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022870","18.588","0.003","7.3111","0.0011","23.438","0.004","90","","109.717","0.015","90","","2998.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cs649","","","- C33 H37 N O12 -","- C33 H37 N O12 -","- C132 H148 N4 O48 -","4","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.1442","0.0649","","","0.1519","0.207","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022871","7.8913","0.0004","14.053","0.0007","14.1863","0.0007","81.884","0.001","79.67","0.001","89.428","0.001","1532.02","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","gib65","","","- C33 H37 N O12 -","- C33 H37 N O12 -","- C66 H74 N2 O24 -","2","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","","0.71073","MoKα","","0.0425","0.0389","","","0.0973","0.0999","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022872","10.545","0.003","13.057","0.003","19.973","0.006","80.93","0.02","75.01","0.03","71.65","0.02","2512.7","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","cs537","","","- C47 H55 F12 N3 O14 P2 -","- C47 H54 F12 N3 O14 P2 -","- C94 H108 F24 N6 O28 P4 -","2","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","1.54178","CuKα","","0.0956","0.0683","","","0.1708","0.1841","","","","","","1.072","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022873","14.0661","0.0012","19.6477","0.0015","37.765","0.002","90","","90","","90","","10437","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","cs641","","","- C48.5 H58 F12 N3 O14.5 P2 -","- C48.5 H58 F12 N3 O14.5 P2 -","- C388 H464 F96 N24 O116 P16 -","8","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.1694","0.1285","","","0.3295","0.3604","","","","","","1.284","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022874","9.6495","0.0017","10.9594","0.0015","17.261","0.003","93.1","0.012","95.003","0.014","97.215","0.013","1800.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","cs613","","","- C33 H41 F6 N2 O12 P -","- C33 H41 F6 N2 O12 P -","- C66 H82 F12 N4 O24 P2 -","2","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.0909","0.0493","","","0.1114","0.1259","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022875","10.0938","0.0009","13.8315","0.0012","15.2862","0.0013","82.623","0.007","76.595","0.007","73.262","0.008","1983.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","cs617","","","- C34 H42 Cl3 F6 N2 O12 P -","- C34 H42 Cl3 F6 N2 O12 P -","- C68 H84 Cl6 F12 N4 O24 P2 -","2","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.0638","0.0472","","","0.1238","0.1345","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022876","10.5112","0.0015","12.934","0.002","14.7845","0.0019","79.34","0.013","87.826","0.011","66.575","0.015","1811.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","cs609","","","- C33 H37 F6 K N O12 P -","- C33 H37 F6 K N O12 P -","- C66 H74 F12 K2 N2 O24 P2 -","2","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.1362","0.0626","","","0.1011","0.1228","","","","","","0.925","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022877","9.4151","0.001","10.1706","0.0011","19.062","0.002","91.942","0.009","90.385","0.009","98.19","0.009","1805.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","cs629","","","- C33 H37 F6 K N O12 P -","- C33 H37 F6 K N O12 P -","- C66 H74 F12 K2 N2 O24 P2 -","2","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.0817","0.0503","","","0.1184","0.1365","","","","","","1.012","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022878","20.275","0.001","19.9664","0.0008","24.5479","0.001","90","","114.013","0.001","90","","9077.4","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H105.75 F12 N7.25 O17 P2 -","- C90.5 H105.75 F12 N7.25 O17 P2 -","- C362 H423 F48 N29 O68 P8 -","4","1","","Tao Han; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Cylindrical Macrotricyclic Polyether toward Diquaternary Salts: Ion-Controlled Binding and Release of the Guests","Journal of Organic Chemistry","2007","72","","3108","3111","10.1021/jo070035i","","","0.7107","MoKα","","0.088","0.0681","","","0.1824","0.2006","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022879","17.996","0.003","18.364","0.003","28.784","0.003","90","","91.452","0.007","90","","9509","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H106 F12 N8 O16 P2 -","- C94 H106 F12 N8 O16 P2 -","- C376 H424 F48 N32 O64 P8 -","4","1","","Tao Han; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Cylindrical Macrotricyclic Polyether toward Diquaternary Salts: Ion-Controlled Binding and Release of the Guests","Journal of Organic Chemistry","2007","72","","3108","3111","10.1021/jo070035i","","","0.7107","MoKα","","0.1534","0.1259","","","0.3263","0.3444","","","","","","1.116","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022880","7.72","0.02","26.56","0.08","9.43","0.04","90","","89.8","0.2","90","","1933","11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cr N O5 -","- C21 H17 Cr N O6 -","- C84 H68 Cr4 N4 O24 -","4","2","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.71075","MoKα","","0.1976","0.1026","","","0.2551","0.3137","","","","","","0.949","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022881","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022882","16.371","0.003","7.3063","0.0012","17.618","0.003","90","","108.702","0.008","90","","1996","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C88 H76 Cr4 N4 O20 -","4","1","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.71075","MoKα","","0.0993","0.0544","","","0.1279","0.1452","","","","","","0.959","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022883","10.906","0.005","7.759","0.003","14.372","0.009","90","","107.04","0.02","90","","1162.9","0.1","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 Cr N O3 Si -","- C24 H24 Cr N O3 Si -","- C48 H48 Cr2 N2 O6 Si2 -","2","1","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.7107","MoKα","","","0.033","","","","0.037","","","","","","1.522","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022884","8.3367","0.0004","15.6339","0.0006","32.1238","0.0013","90","","90","","90","","4186.9","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H39 Cl3 O4 -","- C53 H39 Cl3 O4 -","- C212 H156 Cl12 O16 -","4","1","","Cheng Wang; Lingyun Zhu; Junfeng Xiang; Yanxin Yu; Deqing Zhang; Zhigang Shuai; Daoben Zhu","Chiral Molecular Switches Based on Binaphthalene Molecules with Anthracene Moieties: CD Signal Due to Interchromophoric Exciton Coupling and Modulation of the CD Spectrum","Journal of Organic Chemistry","2007","72","","4306","4312","10.1021/jo070044r","","","0.7107","MoKα","","0.0616","0.0498","","","0.1137","0.1215","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022885","11.3184","0.0004","13.7588","0.0004","15.7957","0.0006","84.63","0.001","80.456","0.001","83.949","0.002","2404.99","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H80 O6 Si2 -","- C42 H79 O6 Si2 -","- C84 H158 O12 Si4 -","2","1","","Julien Bourdron; Laurent Commeiras; Gérard Audran; Nicolas Vanthuyne; J. C. Hubaud; Jean-Luc Parrain","First Total Synthesis and Assignment of the Stereochemistry of Crispatenine","Journal of Organic Chemistry","2007","72","","3770","3775","10.1021/jo070045j","","","0.71073","MoKα","","0.2714","0.1726","","","0.376","0.4404","","","","","","1.027","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022886","7.5703","0.0008","7.9949","0.0004","21.228","0.002","80.323","0.01","88.66","0.01","82.94","0.01","1256.9","0.2","173.2","","173.2","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 Cl4 O4 -","- C26 H26 Cl4 O4 -","- C52 H52 Cl8 O8 -","2","1","","Masayuki Inoue; Nayoung Lee; Satoshi Kasuya; Takaaki Sato; Masahiro Hirama; Miyako Moriyama; Yoshiyasu Fukuyama","Total Synthesis and Bioactivity of an Unnatural Enantiomer of Merrilactone A: Development of an Enantioselective Desymmetrization Strategy","Journal of Organic Chemistry","2007","72","","3065","3075","10.1021/jo0700474","","","0.7107","MoKα","","","0.0375","","","","0.0369","","","","","","0.465","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022887","10.51","0.003","11.488","0.004","20.74","0.006","90","","90","","90","","2504.1","1.3","173.1","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Cl4 O4 -","- C26 H26 Cl4 O4 -","- C104 H104 Cl16 O16 -","4","1","","Masayuki Inoue; Nayoung Lee; Satoshi Kasuya; Takaaki Sato; Masahiro Hirama; Miyako Moriyama; Yoshiyasu Fukuyama","Total Synthesis and Bioactivity of an Unnatural Enantiomer of Merrilactone A: Development of an Enantioselective Desymmetrization Strategy","Journal of Organic Chemistry","2007","72","","3065","3075","10.1021/jo0700474","","","0.7107","MoKα","","","0.028","","","","0.069","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022888","21.277","0.004","10.565","0.002","11.624","0.002","90","","90","","90","","2613","0.9","143","1","143","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","1","","Grant R. Krow; Qiuli Huang; Steven W. Szczepanski; Fredrick H. Hausheer; Patrick J. Carroll","Stereoselectivity in Diels-Alder Reactions of Diene-Substituted N-Alkoxycarbonyl-1,2-dihydropyridines","Journal of Organic Chemistry","2007","72","","3458","3466","10.1021/jo0700575","","","0.7107","MoKα","","0.0543","0.0495","","","0.1327","0.1368","","","","","","1.113","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022889","15.599","0.002","12.4777","0.0018","17.832","0.002","90","","94.005","0.002","90","","3462.3","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl2 N4 O2 -","- C38 H34 Cl2 N4 O2 -","- C152 H136 Cl8 N16 O8 -","4","1","","Ying Cheng; Lan-Qing Cheng","Interaction of β-Lactam Carbenes with Aryl Isonitriles: An Unprecedented Rearrangement of 2-Azetidinonylidene Indoles to δ-Carbolinones","Journal of Organic Chemistry","2007","72","","2625","2630","10.1021/jo0700631","","","0.71073","MoKα","","0.0943","0.0447","","","0.1034","0.1244","","","","","","1.008","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022890","8.9918","0.0014","16.947","0.003","24.121","0.004","90","","96.109","0.002","90","","3654.8","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Br2 Cl2 N4 O3.5 -","- C39 H34 Br2 Cl2 N4 O3.5 -","- C156 H136 Br8 Cl8 N16 O14 -","4","1","","Ying Cheng; Lan-Qing Cheng","Interaction of β-Lactam Carbenes with Aryl Isonitriles: An Unprecedented Rearrangement of 2-Azetidinonylidene Indoles to δ-Carbolinones","Journal of Organic Chemistry","2007","72","","2625","2630","10.1021/jo0700631","","","0.7107","MoKα","","0.0689","0.0538","","","0.1409","0.1513","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022891","8.2163","0.0016","11.515","0.002","15.049","0.003","77.71","0.03","74.76","0.03","80.39","0.03","1333","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Cl2 N3 O3 -","- C30 H25 Cl2 N3 O3 -","- C60 H50 Cl4 N6 O6 -","2","1","","Ying Cheng; Lan-Qing Cheng","Interaction of β-Lactam Carbenes with Aryl Isonitriles: An Unprecedented Rearrangement of 2-Azetidinonylidene Indoles to δ-Carbolinones","Journal of Organic Chemistry","2007","72","","2625","2630","10.1021/jo0700631","","","0.71073","MoKα","","0.0901","0.0492","","","0.1327","0.1495","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022892","9.378","0.003","9.474","0.003","12.814","0.004","74.499","0.004","73.807","0.005","64.67","0.005","973.8","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H30 Cl6 N4 O4 -","- C39 H30 Cl6 N4 O4 -","- C39 H30 Cl6 N4 O4 -","1","1","","Ying Cheng; Lan-Qing Cheng","Interaction of β-Lactam Carbenes with Aryl Isonitriles: An Unprecedented Rearrangement of 2-Azetidinonylidene Indoles to δ-Carbolinones","Journal of Organic Chemistry","2007","72","","2625","2630","10.1021/jo0700631","","","0.71073","MoKα","","0.0865","0.0408","","","0.0923","0.1142","","","","","","1.011","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022893","16.622","0.0002","9.368","0.0001","20.258","0.0003","90","","114.806","0.0009","90","","2863.42","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","2","","J. Carreras; A. Avenoza; J. H. Busto; J. M. Peregrina","Synthesis of Azabicyclo[2.2.n]alkane Systems as Analogues of 3-[1-Methyl-2-(S)-pyrrolidinyl-methoxy]pyridine (A-84543)","Journal of Organic Chemistry","2007","72","","3112","3115","10.1021/jo0700732","","","0.71073","MoKα","","0.0697","0.048","","","0.1089","0.1198","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022894","6.22","0.0002","9.038","0.0004","8.042","0.0003","90","","93.32","0.0018","90","","451.33","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C16 H26 N2 O6 S2 -","2","1","","J. Carreras; A. Avenoza; J. H. Busto; J. M. Peregrina","Synthesis of Azabicyclo[2.2.n]alkane Systems as Analogues of 3-[1-Methyl-2-(S)-pyrrolidinyl-methoxy]pyridine (A-84543)","Journal of Organic Chemistry","2007","72","","3112","3115","10.1021/jo0700732","","","0.71073","MoKα","","0.0334","0.031","","","0.0769","0.0793","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022895","13.162","0.007","8.015","0.004","18.976","0.007","90","","108.408","0.011","90","","1899.3","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B N O4 -","- C20 H22 B N O4 -","- C80 H88 B4 N4 O16 -","4","1","","Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange","Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters","Journal of Organic Chemistry","2007","72","","4328","4339","10.1021/jo070084v","","","0.71073","MoKα","","0.071","0.0423","","","0.1048","0.1267","","","","","","1.034","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022896","7.0791","0.0015","8.5022","0.0019","18.497","0.004","79.652","0.004","79.306","0.004","79.706","0.004","1064","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B N3 O8 -","- C20 H20 B N3 O8 -","- C40 H40 B2 N6 O16 -","2","1","","Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange","Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters","Journal of Organic Chemistry","2007","72","","4328","4339","10.1021/jo070084v","","","0.71073","MoKα","","0.1059","0.0597","","","0.1612","0.1959","","","","","","1.067","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022897","13.7068","0.0018","7.4595","0.0008","38.371","0.005","90","","90","","90","","3923.3","0.8","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H21 B N2 O6 -","- C20 H21 B N2 O6 -","- C160 H168 B8 N16 O48 -","8","2","","Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange","Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters","Journal of Organic Chemistry","2007","72","","4328","4339","10.1021/jo070084v","","","1.54184","CuKα","","0.0371","0.0318","","","0.0775","0.0829","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022898","33.335","0.005","33.343","0.004","6.1898","0.0008","90","","90","","90","","6879.9","1.6","100","","100","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C20 H23 B O2 -","- C20 H23 B O2 -","- C320 H368 B16 O32 -","16","2","","Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange","Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters","Journal of Organic Chemistry","2007","72","","4328","4339","10.1021/jo070084v","","","1.54184","CuKα","","0.0596","0.041","","","0.099","0.1133","","","","","","1.051","","","","has coordinates,has disorder","178407","2020-10-21","18:00:00",""
"4022899","9.085","0.0009","9.085","0.0009","20.973","0.003","90","","90","","120","","1499.2","0.3","293","2","293","2","","","","","","","","5","P 65","P 65","170","","2-(2'-imidazolium)phenyl hydrogen phosphate","","- C9 H9 N2 O4 P -","- C9 H9 N2 O4 P -","- C54 H54 N12 O24 P6 -","6","1","","Tiago A. S. Brandão; Elisa S. Orth; Willian R. Rocha; Adailton J. Bortoluzzi; Clifford A. Bunton; Faruk Nome","Intramolecular General Acid Catalysis of the Hydrolysis of 2-(2'-Imidazolium)phenyl Phosphate, and Bond Length-Reactivity Correlations for Reactions of Phosphate Monoester Monoanions","Journal of Organic Chemistry","2007","72","","3800","3807","10.1021/jo070090r","","","0.71069","MoKα","","0.0454","0.0289","","","0.0671","0.0726","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022900","11.7899","0.0012","12.046","0.0013","23.093","0.003","90","","90","","90","","3279.7","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 F2 N2 O3 S2 -","- C34 H38 F2 N2 O3 S2 -","- C136 H152 F8 N8 O12 S8 -","4","1","","Jun Liu; Ya Li; Jinbo Hu","Stereoselective Synthesis of Di- and Monofluoromethylated Vicinal Ethylenediamines with Di- and Monofluoromethyl Sulfones","Journal of Organic Chemistry","2007","72","","3119","3121","10.1021/jo070094w","","","0.71073","MoKα","","0.1355","0.0574","","","0.0716","0.0878","","","","","","0.87","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022901","12.8346","0.0005","12.8346","0.0005","40.285","0.002","90","","90","","90","","6636","0.5","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C34 H38 F2 N2 O3 S2 -","- C34 H38 F2 N2 O3 S2 -","- C272 H304 F16 N16 O24 S16 -","8","1","","Jun Liu; Ya Li; Jinbo Hu","Stereoselective Synthesis of Di- and Monofluoromethylated Vicinal Ethylenediamines with Di- and Monofluoromethyl Sulfones","Journal of Organic Chemistry","2007","72","","3119","3121","10.1021/jo070094w","","","0.71073","MoKα","","0.0849","0.0466","","","0.0852","0.0957","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022902","14.5299","0.0013","12.4665","0.0011","19.2638","0.0017","90","","106.777","0.002","90","","3340.9","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H39 F N2 O3 S2 -","- C34 H39 F N2 O3 S2 -","- C136 H156 F4 N8 O12 S8 -","4","2","","Jun Liu; Ya Li; Jinbo Hu","Stereoselective Synthesis of Di- and Monofluoromethylated Vicinal Ethylenediamines with Di- and Monofluoromethyl Sulfones","Journal of Organic Chemistry","2007","72","","3119","3121","10.1021/jo070094w","","","0.71073","MoKα","","0.1083","0.0661","","","0.1615","0.1773","","","","","","0.865","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022903","25.36","0.014","10.164","0.006","9.526","0.005","90","","91.66","0.03","90","","2454","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O4 S4 -","- C24 H20 N2 O4 S4 -","- C96 H80 N8 O16 S16 -","4","1","","Sergio Andrés Pérez Guarín; Marie Bourgeaux; Stéphane Dufresne; W. G. Skene","Photophysical, Crystallographic, and Electrochemical Characterization of Symmetric and Unsymmetric Self-Assembled Conjugated Thiopheno Azomethines","Journal of Organic Chemistry","2007","72","","2631","2643","10.1021/jo070100o","","","1.54178","CuKα","","0.3798","0.2229","","","0.4734","0.5617","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022904","12.32","0.003","13.408","0.003","14.101","0.003","86.89","0.008","87.282","0.006","84.369","0.006","2312.6","0.8","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H66 O6 -","- C60 H66 O6 -","- C120 H132 O12 -","2","1","","Zhongtao Li; Nigel T. Lucas; Zhaohui Wang; Daoben Zhu","Facile Synthesis of Janus ""Double-Concave"" Tribenzo[a,g,m]coronenes","Journal of Organic Chemistry","2007","72","","3917","3920","10.1021/jo0701029","","","0.7107","MoKα","","0.08","0.0538","","","0.1293","0.1464","","","","","","1.006","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022905","13.2555","0.0016","12.7977","0.0015","30.54","0.004","90","","93.444","0.001","90","","5171.4","1.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl6 O6 -","- C60 H60 Cl6 O6 -","- C240 H240 Cl24 O24 -","4","1","","Zhongtao Li; Nigel T. Lucas; Zhaohui Wang; Daoben Zhu","Facile Synthesis of Janus ""Double-Concave"" Tribenzo[a,g,m]coronenes","Journal of Organic Chemistry","2007","72","","3917","3920","10.1021/jo0701029","","","0.7107","MoKα","","0.0507","0.0423","","","0.0986","0.1043","","","","","","1.102","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022906","28.2853","0.0012","32.5755","0.0008","51.646","0.002","90","","90","","90","","47587","3","100","2","100","2","","","","","","","synthesis as described","7","P c a 21","P 2c -2ac","29","","","","- C266.67 H220 Cl40 I2.67 N5.33 O32 P10.67 -","- C266.5 H204.233 Cl39.5 I2.66667 N5.33333 O32 P10.6667 -","- C1599 H1225.4 Cl237 I16 N32 O192 P64 -","6","1.5","","Rita De Zorzi; Béatrice Dubessy; Jean-Christophe Mulatier; Silvano Geremia; Lucio Randaccio; Jean-Pierre Dutasta","Structure of a 4:1:4 Supramolecular Assembly of Neutral TiiiiPO Cavitands and Tetrakis(N-methylpyridinium)porphyrin Iodide","Journal of Organic Chemistry","2007","72","","4528","4531","10.1021/jo070109q","","","0.9","synchrotron","","0.1574","0.1302","","","0.3195","0.3519","","","","","","1.446","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022907","10.026","0.003","10.294","0.003","10.483","0.003","98.859","0.009","115.168","0.009","91.022","0.007","963.3","0.5","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl2 N5 O S -","- C19 H15 Cl2 N5 O S -","- C38 H30 Cl4 N10 O2 S2 -","2","1","","Nikolai M. Evdokimov; Artem S. Kireev; Andrey A. Yakovenko; Mikhail Yu. Antipin; Igor V. Magedov; Alexander Kornienko","One-Step Synthesis of Heterocyclic Privileged Medicinal Scaffolds by a Multicomponent Reaction of Malononitrile with Aldehydes and Thiols","Journal of Organic Chemistry","2007","72","","3443","3453","10.1021/jo070114u","","","0.71073","MoKα","","0.0926","0.0521","","","0.0858","0.0955","","","","","","1","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022908","9.882","0.002","11.409","0.002","14.987","0.003","103.72","0.01","95.62","0.02","108.65","0.01","1527.46","0.59","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H32 O5 -","- C38 H32 O5 -","- C76 H64 O10 -","2","1","","Li-Ping Zhang; Yong-Min Liang; Xiu-Cheng Wei; Dong-Liang Cheng","A New Unusual Natural Pigment from Selaginella sinensis and Its Noticeable Physicochemical Properties","Journal of Organic Chemistry","2007","72","","3921","3924","10.1021/jo0701177","","","0.71073","MoKα","","0.0649","0.0369","","","0.0885","0.0951","","","","","","0.921","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022909","11.6107","0.0011","5.6461","0.0005","14.452","0.0013","90","","95.483","0.002","90","","943.07","0.15","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","MAGJZ01","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Jianguang Zhou; Nabi A. Magomedov","Explorations on the Asymmetric Total Synthesis of Isoschizogamine","Journal of Organic Chemistry","2007","72","","3808","3815","10.1021/jo070144x","","","0.71073","MoKα","","0.1521","0.0884","","","0.1326","0.1493","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022910","8.714","0.0003","9.3235","0.0003","13.3131","0.0005","99.666","0.001","93.009","0.001","114.726","0.001","959.37","0.06","568","2","568","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 Ag Cl P -","- C18 H33 Ag Cl P -","- C36 H66 Ag2 Cl2 P2 -","2","1","","Giovanni Occhipinti; Vidar R. Jensen; Hans-René Bjørsvik","Green and Efficient Synthesis of Bidentate Schiff Base Ru Catalysts for Olefin Metathesis","Journal of Organic Chemistry","2007","72","","3561","3564","10.1021/jo070164z","","","0.71073","MoKα","","0.0259","0.0216","","","0.0539","0.0564","","","","","","1.061","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022911","10.7307","0.0015","18.003","0.003","9.4773","0.0014","90","","113.798","0.007","90","","1675.2","0.4","100","2","100","2","","","","","cooled to 269 K","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N4 O3 -","- C17 H22 N4 O3 -","- C68 H88 N16 O12 -","4","1","","Brian S. Bodnar; Marvin J. Miller","Reactions of Nitroso Hetero-Diels-Alder Cycloadducts with Azides: Stereoselective Formation of Triazolines and Aziridines","Journal of Organic Chemistry","2007","72","","3929","3932","10.1021/jo0701987","","x-ray","0.71073","MoKα","","0.0555","0.0404","","","0.1027","0.1116","","","","","","1.033","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022912","5.6782","0.0002","12.3245","0.0004","12.3822","0.0004","108.048","0.002","102.326","0.002","90.219","0.002","802.61","0.05","100","2","100","2","","","","","cooled to 277 K","","synthesized","4","P -1","-P 1","2","","","","- C17 H22 N4 O3 -","- C17 H22 N4 O3 -","- C34 H44 N8 O6 -","2","1","","Brian S. Bodnar; Marvin J. Miller","Reactions of Nitroso Hetero-Diels-Alder Cycloadducts with Azides: Stereoselective Formation of Triazolines and Aziridines","Journal of Organic Chemistry","2007","72","","3929","3932","10.1021/jo0701987","","x-ray","0.71073","MoKα","","0.0457","0.0394","","","0.1046","0.1103","","","","","","1.076","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022913","18.0383","0.0003","18.0383","0.0003","11.9993","0.0003","90","","90","","120","","3381.25","0.12","160","1","160","1","","","","","","","","5","P 32","P 32","145","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C153 H180 Cl9 N9 O9 -","9","3","","Giuseppe Borsato; Anthony Linden; Ottorino De Lucchi; Vittorio Lucchini; David Wolstenholme; Alfonso Zambon","Chiral Polycyclic Ketones via Desymmetrization of Dihaloolefins","Journal of Organic Chemistry","2007","72","","4272","4275","10.1021/jo070222g","","","0.71073","MoKα","","0.0754","0.0517","","","0.1141","0.1282","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022914","9.3588","0.0002","12.2372","0.0002","19.5081","0.0003","90","","90","","90","","2234.18","0.07","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl3 N O3 -","- C23 H24 Cl3 N O3 -","- C92 H96 Cl12 N4 O12 -","4","1","","Giuseppe Borsato; Anthony Linden; Ottorino De Lucchi; Vittorio Lucchini; David Wolstenholme; Alfonso Zambon","Chiral Polycyclic Ketones via Desymmetrization of Dihaloolefins","Journal of Organic Chemistry","2007","72","","4272","4275","10.1021/jo070222g","","","0.71073","MoKα","","0.0558","0.039","","","0.0832","0.091","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022915","10.5116","0.0009","11.2613","0.001","19.5145","0.0018","78.166","0.001","82.396","0.001","64.257","0.001","2034.1","0.3","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H39 Br O3 -","- C29 H39 Br O3 -","- C87 H117 Br3 O9 -","3","3","","Vincent Rodeschini; Nigel S. Simpkins; Claire Wilson","Kinetic Resolution in a Bridgehead Lithiation Mediated by a Chiral Bis-lithium Amide: Assignment of the Absolute Configuration of Clusianone","Journal of Organic Chemistry","2007","72","","4265","4267","10.1021/jo070225t","","","0.71073","MoKα","","0.0485","0.0406","","","0.0966","0.1006","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022916","13.008","0.003","24.042","0.004","17.079","0.003","90","","106.986","0.007","90","","5108.4","1.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H64 Cl3 O2 -","- C61 H65 Cl3 O2 -","- C244 H260 Cl12 O8 -","4","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Photochemical Cycloisomerizations via 7-exo-dig Reactions on a Calix[4]arene Scaffold","Journal of Organic Chemistry","2007","72","","4532","4535","10.1021/jo070236m","","","0.7107","MoKα","","0.2157","0.1636","","","0.3557","0.3895","","","","","","1.177","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022917","8.0289","0.0009","10.8466","0.0012","12.11","0.0014","108.761","0.002","93.792","0.002","95.396","0.002","988.95","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Br N O4 S -","- C19 H18 Br N O4 S -","- C38 H36 Br2 N2 O8 S2 -","2","1","","Ruwei Shen; Xian Huang","Reaction of 2,3-Allenoates with TsNBr~2~ in the Presence of Base: A Facile Highly Stereoselective Synthesis of (1E,2E)-3-Bromo-4-oxo-N'-tosyl-2-alkenoxylimidic Acid Ethyl Esters","Journal of Organic Chemistry","2007","72","","3961","3964","10.1021/jo070239z","","","0.71073","MoKα","","0.0663","0.0463","","","0.1089","0.1153","","","","","","0.875","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022918","8.8562","0.0015","18.118","0.003","14.055","0.002","90","","99.855","0.003","90","","2221.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br N O4 S -","- C24 H22 Br N O4 S -","- C96 H88 Br4 N4 O16 S4 -","4","1","","Ruwei Shen; Xian Huang","Reaction of 2,3-Allenoates with TsNBr~2~ in the Presence of Base: A Facile Highly Stereoselective Synthesis of (1E,2E)-3-Bromo-4-oxo-N'-tosyl-2-alkenoxylimidic Acid Ethyl Esters","Journal of Organic Chemistry","2007","72","","3961","3964","10.1021/jo070239z","","","0.71073","MoKα","","0.1057","0.0607","","","0.1261","0.1372","","","","","","0.841","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022919","8.379","0.005","17.493","0.005","17.621","0.005","90","0.005","90","0.005","90","0.005","2582.8","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O2 S2 -","- C14 H12 O2 S2 -","- C112 H96 O16 S16 -","8","2","","Jun Liu; Mang Wang; Bing Li; Qun Liu; Yulong Zhao","A Divergent Synthesis of Functionalized Unsaturated δ-Lactones from α-Alkenoyl-α-carboxyl Ketene Dithioacetals","Journal of Organic Chemistry","2007","72","","4401","4405","10.1021/jo0702488","","","0.71069","MoKα","","0.1274","0.0624","","","0.103","0.1261","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022920","25.454","0.003","11.0665","0.0014","18.796","0.002","90","","103.541","0.002","90","","5147.5","1.1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H40 Cl8 N2 O5 -","- C56 H40 Cl8 N2 O5 -","- C224 H160 Cl32 N8 O20 -","4","0.5","","Chun Zhang; Chuan-Feng Chen","Triptycene-Based Expanded Oxacalixarenes: Synthesis, Structure, and Tubular Assemblies in the Solid State","Journal of Organic Chemistry","2007","72","","3880","3888","10.1021/jo0702490","","","0.71073","MoKα","","0.1232","0.0609","","","0.1631","0.2018","","","","","","1.01","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022921","8.7116","0.0017","9.7063","0.0019","13.761","0.003","95.19","0.03","93.16","0.03","96.43","0.03","1149","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H30 Cl8 N2 O4 -","- C52 H30 Cl8 N2 O4 -","- C52 H30 Cl8 N2 O4 -","1","0.5","","Chun Zhang; Chuan-Feng Chen","Triptycene-Based Expanded Oxacalixarenes: Synthesis, Structure, and Tubular Assemblies in the Solid State","Journal of Organic Chemistry","2007","72","","3880","3888","10.1021/jo0702490","","","0.71073","MoKα","","0.1136","0.0729","","","0.1867","0.2136","","","","","","1.033","","","","has coordinates,has disorder","205842","2020-10-21","18:00:00",""
"4022922","41.277","0.015","19.829","0.006","29.101","0.01","90","","119.396","0.004","90","","20752","12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H24 Cl2 N6 O4 -","- C46 H24 Cl2 N6 O4 -","- C552 H288 Cl24 N72 O48 -","12","1.5","","Chun Zhang; Chuan-Feng Chen","Triptycene-Based Expanded Oxacalixarenes: Synthesis, Structure, and Tubular Assemblies in the Solid State","Journal of Organic Chemistry","2007","72","","3880","3888","10.1021/jo0702490","","","0.7107","MoKα","","0.1716","0.0835","","","0.2176","0.2605","","","","","","0.971","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022923","12.1813","0.0039","15.6261","0.0051","15.9368","0.0049","63.269","0.006","77.693","0.006","86.662","0.007","2644.6","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- C120 Cl4 -","- C120 Cl4 -","- C120 Cl4 -","","","","Chun Zhang; Chuan-Feng Chen","Triptycene-Based Expanded Oxacalixarenes: Synthesis, Structure, and Tubular Assemblies in the Solid State","Journal of Organic Chemistry","2007","72","","3880","3888","10.1021/jo0702490","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022924","13.4226","0.0009","13.4226","0.0009","13.1399","0.0018","90","","90","","90","","2367.4","0.4","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C27 H33 Br O2 -","- C27 H33 Br O2 -","- C108 H132 Br4 O8 -","4","1","","Douglass F. Taber; M. Inthikhab Sikkander; Pierre H. Storck","Enantioselective Synthesis of (+)-Majusculone","Journal of Organic Chemistry","2007","72","","4098","4101","10.1021/jo070257g","","","0.71073","MoKα","","0.113","0.0601","","","0.1133","0.1306","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022925","10.962","0.005","9.459","0.004","19.286","0.003","90","","108.524","0.018","90","","1896.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C80 H76 N12 O24 -","4","1","","Teresa M. V. D. Pinho e Melo; Cláudio M. Nunes; Maria I. L. Soares; José A. Paixão; Ana Matos Beja; Manuela Ramos Silva","Chemistry of Diazafulvenium Methides in the Synthesis of Functionalized Pyrazoles","Journal of Organic Chemistry","2007","72","","4406","4415","10.1021/jo070265x","","","1.5418","CuKα","","0.0737","0.0438","","","0.1498","0.1634","","","","","","1.157","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022926","21.1387","0.0009","5.0292","0.0002","14.2143","0.0006","90","","124.921","0.002","90","","1239.04","0.09","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C64 H48 N4 O4 -","2","0.5","","Karl B. Lindsay; Francesc Ferrando; Kasper L. Christensen; Jacob Overgaard; Tomàs Roca; M.-Lluïsa Bennasar; Troels Skrydstrup","SmI~2~-Promoted Radical Addition Reactions with N-(2-Indolylacyl)oxazolidinones: Synthesis of Bisindole Compounds","Journal of Organic Chemistry","2007","72","","4181","4188","10.1021/jo070273d","","","0.71073","MoKα","","","0.06","","","","0.047","","","","","","1.13","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022927","10.6371","0.0013","10.8663","0.0013","15.4189","0.0018","82.063","0.006","72.625","0.006","72.781","0.006","1622.2","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H29 Cl2 N3 O8 -","- C38 H29 Cl2 N3 O8 -","- C76 H58 Cl4 N6 O16 -","2","1","","Karl B. Lindsay; Francesc Ferrando; Kasper L. Christensen; Jacob Overgaard; Tomàs Roca; M.-Lluïsa Bennasar; Troels Skrydstrup","SmI~2~-Promoted Radical Addition Reactions with N-(2-Indolylacyl)oxazolidinones: Synthesis of Bisindole Compounds","Journal of Organic Chemistry","2007","72","","4181","4188","10.1021/jo070273d","","x-ray","0.71073","MoKα","","0.0636","0.048","","","0.1248","0.1328","","","","","","1.107","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022928","13.717","0.002","5.1567","0.0009","18.788","0.003","90","","104.187","0.006","90","","1288.4","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C34 H24 N2 O6 -","- C34 H24 N2 O6 -","- C68 H48 N4 O12 -","2","0.5","","Karl B. Lindsay; Francesc Ferrando; Kasper L. Christensen; Jacob Overgaard; Tomàs Roca; M.-Lluïsa Bennasar; Troels Skrydstrup","SmI~2~-Promoted Radical Addition Reactions with N-(2-Indolylacyl)oxazolidinones: Synthesis of Bisindole Compounds","Journal of Organic Chemistry","2007","72","","4181","4188","10.1021/jo070273d","","","0.71073","MoKα","","0.0935","0.0487","","","0.1358","0.2043","","","","","","0.762","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022929","11.702","0.004","15.52","0.005","6.3747","0.0018","90","","102.619","0.01","90","","1129.8","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C64 H44 N4 O4 -","2","0.5","","Karl B. Lindsay; Francesc Ferrando; Kasper L. Christensen; Jacob Overgaard; Tomàs Roca; M.-Lluïsa Bennasar; Troels Skrydstrup","SmI~2~-Promoted Radical Addition Reactions with N-(2-Indolylacyl)oxazolidinones: Synthesis of Bisindole Compounds","Journal of Organic Chemistry","2007","72","","4181","4188","10.1021/jo070273d","","x-ray","0.71073","MoKα","","0.1225","0.0635","","","0.1332","0.1528","","","","","","1.005","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022930","11.1159","0.0006","13.2673","0.0007","11.7064","0.0007","90","","111.224","0.001","90","","1609.34","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 O2 P2 -","- C40 H38 N2 O2 P2 -","- C80 H76 N4 O4 P4 -","2","0.5","","Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Santiago García-Granda; Andrés Francesch; Fernando López-Ortiz; Carmen Cuevas","Double Dearomatization of Bis(diphenylphosphinamides) through Anionic Cyclization. A Facile Route of Accessing Multifunctional Systems with Antitumor Properties","Journal of Organic Chemistry","2007","72","","3790","3799","10.1021/jo070276q","","","0.71073","MoKα","","0.0509","0.0417","","","0.1008","0.1048","","","","","","1.007","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022931","9.546","0.001","14.9535","0.0016","12.3925","0.0012","90","","100.319","0.002","90","","1740.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O2 P2 -","- C42 H42 N2 O2 P2 -","- C84 H84 N4 O4 P4 -","2","0.5","","Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Santiago García-Granda; Andrés Francesch; Fernando López-Ortiz; Carmen Cuevas","Double Dearomatization of Bis(diphenylphosphinamides) through Anionic Cyclization. A Facile Route of Accessing Multifunctional Systems with Antitumor Properties","Journal of Organic Chemistry","2007","72","","3790","3799","10.1021/jo070276q","","","0.71069","MoKα","","0.1372","0.0611","","","0.0735","0.0928","","","","","","0.804","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022932","13.9441","0.0005","7.5494","0.0003","14.9398","0.0005","90","","105.557","0.002","90","","1515.09","0.1","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(rac)-1","","","- C16 H12 F3 N3 O2 -","- C16 H12 F3 N3 O2 -","- C64 H48 F12 N12 O8 -","4","1","","Alan R. Katritzky; Prabhu P. Mohapatra; Dmytro Fedoseyenko; Matthew Duncton; Peter J. Steel","1-Benzotriazol-1-yl-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ones: Mosher-Bt Reagents","Journal of Organic Chemistry","2007","72","","4268","4271","10.1021/jo070278a","","","0.71073","MoKα","","0.0592","0.042","","","0.1119","0.1237","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022933","8.458","0.002","16.354","0.007","17.991","0.007","90","","90","","90","","2488.6","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C112 H124 N4 O16 S4 -","4","1","","Huimin Zhai; Masood Parvez; Thomas G. Back","A Highly Stereoselective Synthesis of (-)-(ent)-Julifloridine from the Cyclization of an Alanine-Derived Chloroamine with an Acetylenic Sulfone","Journal of Organic Chemistry","2007","72","","3853","3858","10.1021/jo0703101","","","0.71073","MoKα","","0.0634","0.0451","","","0.0954","0.1046","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022934","9.0989","0.0008","10.8894","0.0009","15.5127","0.0013","90","","96.359","0.003","90","","1527.6","0.2","90","2","90","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","2","","Eric S. Sherman; Peter H. Fuller; Dhanalakshmi Kasi; Sherry R. Chemler","Pyrrolidine and Piperidine Formation via Copper(II) Carboxylate-Promoted Intramolecular Carboamination of Unactivated Olefins: Diastereoselectivity and Mechanism","Journal of Organic Chemistry","2007","72","","3896","3905","10.1021/jo070321u","","","0.71073","MoKα","","0.0383","0.0344","","","0.0695","0.0709","","","","","","1.539","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022935","11.0885","0.0013","6.3626","0.0008","25.563","0.003","90","","100.547","0.005","90","","1773.1","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Cyclohexylmethyl-8-methyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b] [1,2]benzothiazine 5,5-dioxide","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Eric S. Sherman; Peter H. Fuller; Dhanalakshmi Kasi; Sherry R. Chemler","Pyrrolidine and Piperidine Formation via Copper(II) Carboxylate-Promoted Intramolecular Carboamination of Unactivated Olefins: Diastereoselectivity and Mechanism","Journal of Organic Chemistry","2007","72","","3896","3905","10.1021/jo070321u","","","0.71073","MoKα","","0.0604","0.0395","","","0.0872","0.0961","","","","","","1.009","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022936","7.849","0.0002","14.1571","0.0003","27.1001","0.0006","90","","90","","90","","3011.34","0.12","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C120 H184 N8 O16 S8 -","8","2","","Eric S. Sherman; Peter H. Fuller; Dhanalakshmi Kasi; Sherry R. Chemler","Pyrrolidine and Piperidine Formation via Copper(II) Carboxylate-Promoted Intramolecular Carboamination of Unactivated Olefins: Diastereoselectivity and Mechanism","Journal of Organic Chemistry","2007","72","","3896","3905","10.1021/jo070321u","","","0.71073","MoKα","","0.0453","0.035","","","0.0769","0.0813","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022937","7.2556","0.0009","10.8856","0.0014","31.743","0.004","90","","90","","90","","2507.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Co O2 -","- C29 H41 Co O2 -","- C116 H164 Co4 O8 -","4","1","","Miguel A. Sierra; M. Rosario Torres; María C. de la Torre; Elsa Álvaro","Synthesis of Terpene and Steroid Dimers and Trimers Having Cyclobutadienyl-Co and Aromatic Tethers","Journal of Organic Chemistry","2007","72","","4213","4219","10.1021/jo0703698","","","0.71073","MoKα","","0.1259","0.0502","","","0.0759","0.0908","","","","","","0.838","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022938","11.8062","0.0014","12.4626","0.0016","18.529","0.003","90","","108.153","0.003","90","","2590.6","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H41 Co O3 -","- C30 H41 Co O3 -","- C120 H164 Co4 O12 -","4","2","","Miguel A. Sierra; M. Rosario Torres; María C. de la Torre; Elsa Álvaro","Synthesis of Terpene and Steroid Dimers and Trimers Having Cyclobutadienyl-Co and Aromatic Tethers","Journal of Organic Chemistry","2007","72","","4213","4219","10.1021/jo0703698","","","0.71073","MoKα","","0.2493","0.0606","","","0.0789","0.1194","","","","","","0.714","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022939","11.1809","0.0014","8.245","0.001","12.1335","0.0015","90","","93.074","0.002","90","","1116.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 S2 -","- C24 H27 N O5 S2 -","- C48 H54 N2 O10 S4 -","2","1","","William H. Pearson; Jeffrey E. Kropf; Allison L. Choy; Ill Young Lee; Jeff W. Kampf","Approach to the Homoerythrina Alkaloids Using a Tandem N-Alkylation/Azomethine Ylide Cycloaddition","Journal of Organic Chemistry","2007","72","","4135","4148","10.1021/jo0703799","","","0.71073","MoKα","","0.0426","0.0362","","","0.0884","0.0918","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022940","10.7047","0.0016","11.8402","0.0018","13.007","0.002","71.189","0.003","88.891","0.003","82.856","0.003","1548.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 N4 O11 S -","- C27 H30 Cl2 N4 O11 S -","- C54 H60 Cl4 N8 O22 S2 -","2","1","","William H. Pearson; Jeffrey E. Kropf; Allison L. Choy; Ill Young Lee; Jeff W. Kampf","Approach to the Homoerythrina Alkaloids Using a Tandem N-Alkylation/Azomethine Ylide Cycloaddition","Journal of Organic Chemistry","2007","72","","4135","4148","10.1021/jo0703799","","","0.71073","MoKα","","0.0615","0.0485","","","0.134","0.1427","","","","","","1.058","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022941","20.6299","0.0018","19.1236","0.0017","13.9795","0.0012","90","","108.259","0.001","90","","5237.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 Cl2 N4 -","- C56 H82 Cl2 N4 -","- C224 H328 Cl8 N16 -","4","1","","Rodolphe Jazzar; Jean-Baptiste Bourg; Rian D. Dewhurst; Bruno Donnadieu; Guy Bertrand","Intramolecular ""Hydroiminiumation and -amidiniumation"" of Alkenes: A Convenient, Flexible, and Scalable Route to Cyclic Iminium and Imidazolinium Salts","Journal of Organic Chemistry","2007","72","","3492","3499","10.1021/jo0703909","","","0.71073","MoKα","","0.0692","0.0587","","","0.1462","0.1522","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022942","17.326","0.002","8.5078","0.001","21.213","0.003","90","","101.369","0.002","90","","3065.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Cl4 N2 -","- C29 H41 Cl4 N2 -","- C116 H164 Cl16 N8 -","4","1","","Rodolphe Jazzar; Jean-Baptiste Bourg; Rian D. Dewhurst; Bruno Donnadieu; Guy Bertrand","Intramolecular ""Hydroiminiumation and -amidiniumation"" of Alkenes: A Convenient, Flexible, and Scalable Route to Cyclic Iminium and Imidazolinium Salts","Journal of Organic Chemistry","2007","72","","3492","3499","10.1021/jo0703909","","","0.71073","MoKα","","0.0717","0.0553","","","0.145","0.1571","","","","","","1.037","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022943","10.5761","0.0007","16.3822","0.001","19.6147","0.0012","90","","90","","90","","3398.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Cl7 N -","- C28 H44 Cl7 N -","- C112 H176 Cl28 N4 -","4","1","","Rodolphe Jazzar; Jean-Baptiste Bourg; Rian D. Dewhurst; Bruno Donnadieu; Guy Bertrand","Intramolecular ""Hydroiminiumation and -amidiniumation"" of Alkenes: A Convenient, Flexible, and Scalable Route to Cyclic Iminium and Imidazolinium Salts","Journal of Organic Chemistry","2007","72","","3492","3499","10.1021/jo0703909","","","0.71073","MoKα","","0.0577","0.0381","","","0.0744","0.0813","","","","","","1.015","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022944","12.532","0.003","20.341","0.005","27.856","0.007","90","","94.927","0.006","90","","7074","3","100","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H84 Cl4 N2 P2 Pd2 -","- C80 H84 Cl4 N2 P2 Pd2 -","- C320 H336 Cl16 N8 P8 Pd8 -","4","1","","Rodolphe Jazzar; Jean-Baptiste Bourg; Rian D. Dewhurst; Bruno Donnadieu; Guy Bertrand","Intramolecular ""Hydroiminiumation and -amidiniumation"" of Alkenes: A Convenient, Flexible, and Scalable Route to Cyclic Iminium and Imidazolinium Salts","Journal of Organic Chemistry","2007","72","","3492","3499","10.1021/jo0703909","","","0.71073","MoKα","","0.0814","0.0519","","","0.122","0.1392","","","","","","0.996","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022945","9.7028","0.0013","11.6954","0.001","13.7099","0.0014","90","","90","","90","","1555.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0725","0.0426","","","0.1181","0.1318","","","","","","1.015","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022946","7.66","0.003","12.669","0.003","8.927","0.003","90","","104.57","0.03","90","","838.5","0.5","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C36 H50 N2 O4 -","2","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0692","0.0507","","","0.1503","0.1652","","","","","","1.065","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022947","6.5457","0.0013","13.684","0.002","20.332","0.009","90","","90","","90","","1821.2","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0608","0.0449","","","0.1106","0.1204","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022948","9.493","0.006","8.884","0.007","11.272","0.006","90","","103.89","0.05","90","","922.8","1.1","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0656","0.0422","","","0.1007","0.1134","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022949","7.057","0.005","7.913","0.005","13.254","0.009","98.052","0.011","94.34","0.011","108.759","0.011","688.1","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl F2 O2 S -","- C14 H9 Cl F2 O2 S -","- C28 H18 Cl2 F4 O4 S2 -","2","1","","Jeremy P. Scott; David R. Lieberman; Olivier M. Beureux; Karel M. J. Brands; Antony J. Davies; Andrew W. Gibson; Deborah C. Hammond; Chris J. McWilliams; Gavin W. Stewart; Robert D. Wilson; Ulf-H. Dolling","A Practical Synthesis of a γ-Secretase Inhibitor","Journal of Organic Chemistry","2007","72","","4149","4155","10.1021/jo070407n","","","0.71073","MoKα","","0.0555","0.0468","","","0.1213","0.1264","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022950","15.45","0.01","10.49","0.007","10.828","0.007","90","","90","","90","","1755","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","jrc0831n","","","- C18 H15 Cl F2 O3 S -","- C18 H15 Cl F2 O3 S -","- C72 H60 Cl4 F8 O12 S4 -","4","1","","Jeremy P. Scott; David R. Lieberman; Olivier M. Beureux; Karel M. J. Brands; Antony J. Davies; Andrew W. Gibson; Deborah C. Hammond; Chris J. McWilliams; Gavin W. Stewart; Robert D. Wilson; Ulf-H. Dolling","A Practical Synthesis of a γ-Secretase Inhibitor","Journal of Organic Chemistry","2007","72","","4149","4155","10.1021/jo070407n","","","0.71073","MoKα","","0.0622","0.0515","","","0.1173","0.1225","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022951","24.474","0.001","7.66","0.001","26.684","0.001","90","","90.496","0.001","90","","5002.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-bis-([1-(4-ethynylphenyl)ethenylsulfinyl]methyl)benzene","","- C57 H45 Cl3 O4 S4 -","- C57 H45 Cl3 O4 S4 -","- C228 H180 Cl12 O16 S16 -","4","1","","Maria Chiara Aversa; Anna Barattucci; Paola Bonaccorsi; Cristina Faggi; Teresa Papalia","Thiacyclophane Cages and Related Bi- and Tripodal Molecules via Transient Polysulfenic Acids","Journal of Organic Chemistry","2007","72","","4486","4496","10.1021/jo070449b","","","1.54178","CuKα","","0.0702","0.0442","","","0.1116","0.1231","","","","","","0.935","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022952","10.787","0.001","13.238","0.001","14.494","0.001","90","0.005","92.81","0.006","90","0.005","2067.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Meso-1,12-dimethylene-2,11-dithia[3.3]metacyclophane 2,11-dioxide","","- C19 H17 Cl3 O2 S2 -","- C19 H17 Cl3 O2 S2 -","- C76 H68 Cl12 O8 S8 -","4","1","","Maria Chiara Aversa; Anna Barattucci; Paola Bonaccorsi; Cristina Faggi; Teresa Papalia","Thiacyclophane Cages and Related Bi- and Tripodal Molecules via Transient Polysulfenic Acids","Journal of Organic Chemistry","2007","72","","4486","4496","10.1021/jo070449b","","","0.71069","MoKα","","0.0854","0.0636","","","0.143","0.1569","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022953","11.5256","0.001","7.2982","0.0004","33.073","0.003","90","","96.248","0.003","90","","2765.5","0.4","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2 1","C 2y","5","","2alpha,3beta-(3'-oxocyclohexano)-5beta-cholestane","","- C31 H52 O -","- C31 H52 O -","- C124 H208 O4 -","4","1","","Qiuling Song; Douglas M. Ho; Robert A. Pascal Jr.","The Supertristeroids: Large, Chiral, Molecular Bowls Prepared by Trimerization of Pentacyclic Steroidal Ketones","Journal of Organic Chemistry","2007","72","","4449","4453","10.1021/jo070458k","","","0.71073","MoKα","","0.0805","0.0639","","0.1217","","0.1142","","","1.125","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022954","11.3299","0.0007","7.5129","0.0004","32.62","0.002","90","","91.18","0.002","90","","2776","0.3","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2 1","C 2y","5","","4alpha,3beta-(3'-oxocyclohexano)-5beta-cholestane","","- C31 H52 O -","- C31 H52 O -","- C124 H208 O4 -","4","1","","Qiuling Song; Douglas M. Ho; Robert A. Pascal Jr.","The Supertristeroids: Large, Chiral, Molecular Bowls Prepared by Trimerization of Pentacyclic Steroidal Ketones","Journal of Organic Chemistry","2007","72","","4449","4453","10.1021/jo070458k","","","0.71073","MoKα","","0.0606","0.0478","","0.13","","0.1046","","","1.071","","","1.099","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022955","12.5645","0.0005","6.7283","0.0003","33.721","0.002","90","","91.284","0.002","90","","2850","0.2","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2 1","C 2y","5","","2alpha,3alpha-(3'-oxocyclohexano)-5beta-cholestane","","- C31 H52 O -","- C31 H52 O -","- C124 H208 O4 -","4","1","","Qiuling Song; Douglas M. Ho; Robert A. Pascal Jr.","The Supertristeroids: Large, Chiral, Molecular Bowls Prepared by Trimerization of Pentacyclic Steroidal Ketones","Journal of Organic Chemistry","2007","72","","4449","4453","10.1021/jo070458k","","","0.71073","MoKα","","0.0927","0.07","","0.2034","","0.186","","","1.026","","","1.11","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022956","30.363","0.008","11.064","0.003","8.571","0.002","90","","101.599","0.015","90","","2820.4","1.2","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H39 Al O5 -","- C33 H39 Al O5 -","- C132 H156 Al4 O20 -","4","1","","Christopher R. Graves; Hongying Zhou; Charlotte L. Stern; SonBinh T. Nguyen","A Mechanistic Investigation of the Asymmetric Meerwein-Schmidt-Ponndorf-Verley Reduction Catalyzed by BINOL/AlMe~3~-Structure, Kinetics, and Enantioselectivity","Journal of Organic Chemistry","2007","72","","9121","9133","10.1021/jo070563u","","","0.71073","MoKα","","0.0511","0.0419","","","0.1064","0.113","","","","","","1.044","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022957","26.568","0.0009","6.663","0.0002","12.383","0.0005","90","","107.242","0.002","90","","2093.56","0.13","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H27 N O6 V -","- C18 H27 N O6 V -","- C72 H108 N4 O24 V4 -","4","1","","Chien-Tien Chen; Sampada Bettigeri; Shiue-Shien Weng; Vijay D. Pawar; Ya-Hui Lin; Cheng-Yuan Liu; Way-Zen Lee","Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C~4~-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates","Journal of Organic Chemistry","2007","72","","8175","8185","10.1021/jo070575f","","","0.71073","MoKα","","0.0742","0.0601","","","0.1592","0.1764","","","","","","1.061","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022958","32.065","0.0003","6.57","0.0005","12.411","0.0008","90","0.002","104.904","0.002","90","0.002","2526.6","0.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H36 N O6 V -","- C22 H36 N O6 V -","- C88 H144 N4 O24 V4 -","4","1","","Chien-Tien Chen; Sampada Bettigeri; Shiue-Shien Weng; Vijay D. Pawar; Ya-Hui Lin; Cheng-Yuan Liu; Way-Zen Lee","Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C~4~-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates","Journal of Organic Chemistry","2007","72","","8175","8185","10.1021/jo070575f","","","0.71073","MoKα","","0.1089","0.0664","","","0.1516","0.1804","","","","","","1.012","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022959","14.294","0.003","14.681","0.003","51.888","0.01","90","","90","","90","","10889","4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H132 K N4 O25 V5 -","- C84 H132 K N4 O25 V5 -","- C336 H528 K4 N16 O100 V20 -","4","1","","Chien-Tien Chen; Sampada Bettigeri; Shiue-Shien Weng; Vijay D. Pawar; Ya-Hui Lin; Cheng-Yuan Liu; Way-Zen Lee","Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C~4~-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates","Journal of Organic Chemistry","2007","72","","8175","8185","10.1021/jo070575f","","","0.71073","MoKα","","0.141","0.0845","","","0.2018","0.2267","","","","","","1.003","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022960","7.15","0.0002","13.955","0.0003","17.42","0.0005","105.406","0.001","90.71","0.001","93.463","0.0013","1671.89","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N5 O3 -","- C17 H21 N5 O3 -","- C68 H84 N20 O12 -","4","2","","Dimitri M. Khramov; Christopher W. Bielawski","Donor-Acceptor Triazenes: Synthesis, Characterization, and Study of Their Electronic and Thermal Properties","Journal of Organic Chemistry","2007","72","","9407","9417","10.1021/jo070789x","","","0.71073","MoKα","","0.2166","0.0563","","","0.0922","0.121","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022961","8.9005","0.0004","7.5544","0.0003","25.4468","0.0012","90","","90.197","0.002","90","","1710.98","0.13","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N6 O4 -","- C17 H18 N6 O4 -","- C68 H72 N24 O16 -","4","1","","Dimitri M. Khramov; Christopher W. Bielawski","Donor-Acceptor Triazenes: Synthesis, Characterization, and Study of Their Electronic and Thermal Properties","Journal of Organic Chemistry","2007","72","","9407","9417","10.1021/jo070789x","","","0.71073","MoKα","","0.1916","0.0527","","","0.0831","0.106","","","","","","1.063","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022962","6.7593","0.0003","11.8068","0.0005","12.3651","0.0005","95.814","0.003","102.092","0.002","100.095","0.002","940.16","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl3 N6 O2 -","- C16 H15 Cl3 N6 O2 -","- C32 H30 Cl6 N12 O4 -","2","1","","Dimitri M. Khramov; Christopher W. Bielawski","Donor-Acceptor Triazenes: Synthesis, Characterization, and Study of Their Electronic and Thermal Properties","Journal of Organic Chemistry","2007","72","","9407","9417","10.1021/jo070789x","","","0.71073","MoKα","","0.1815","0.0671","","","0.1274","0.1514","","","","","","1.121","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022963","22.4468","0.0007","22.4468","0.0007","5.7427","0.0003","90","","90","","90","","2893.5","0.2","153","2","153","2","","","","","","","","4","I -4","I -4","82","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C120 H136 N40 O8 -","8","1","","Dimitri M. Khramov; Christopher W. Bielawski","Donor-Acceptor Triazenes: Synthesis, Characterization, and Study of Their Electronic and Thermal Properties","Journal of Organic Chemistry","2007","72","","9407","9417","10.1021/jo070789x","","","0.71073","MoKα","","0.0859","0.0493","","","0.106","0.1133","","","","","","1.164","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022964","11.0544","0.0018","11.8606","0.0019","16.316","0.003","90","","108.798","0.002","90","","2025.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N O2 -","- C26 H22 Cl N O2 -","- C104 H88 Cl4 N4 O8 -","4","1","","Bradley O. Ashburn; Rich G. Carter","Diels-Alder Approach to Tetra-ortho-Substituted Biaryls Employing Propargylic Tertiary Alcohols as Dienophiles","Journal of Organic Chemistry","2007","72","","10220","10223","10.1021/jo070812e","","","0.71073","MoKα","","0.0486","0.0439","","","0.1218","0.126","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022965","11.2204","0.0018","11.4675","0.0019","51.151","0.008","90","","90","","90","","6581.6","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Cl N O4 -","- C37 H40 Cl N O4 -","- C296 H320 Cl8 N8 O32 -","8","2","","Bradley O. Ashburn; Rich G. Carter","Diels-Alder Approach to Tetra-ortho-Substituted Biaryls Employing Propargylic Tertiary Alcohols as Dienophiles","Journal of Organic Chemistry","2007","72","","10220","10223","10.1021/jo070812e","","","0.71073","MoKα","","0.0555","0.0447","","","0.1023","0.1101","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022966","17.9792","0.0002","19.2948","0.0003","30.509","0.0005","90","","90","","90","","10583.7","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1379","","","- C107.5 H126 N4 O6 Y2 -","- C107.5 H126 N4 O6 Y2 -","- C430 H504 N16 O24 Y8 -","4","1","","Biswajit Saha; Mei-Huey Lin; T. V. RajanBabu","Exceptionally Active Yttrium-Salen Complexes for the Catalyzed Ring Opening of Epoxides by TMSCN and TMSN~3~","Journal of Organic Chemistry","2007","72","","8648","8655","10.1021/jo071076h","","x-ray","0.71073","MoKα","","0.0803","0.0697","","","0.1877","0.1923","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022967","9.553","0.002","13.694","0.002","13.427","0.002","90","","98.886","0.007","90","","1735.4","0.5","298.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H58 Cl2 Cu2 P2 -","- C28 H58 Cl2 Cu2 P2 -","- C56 H116 Cl4 Cu4 P4 -","2","0.5","","Taichi Miyaji; Zhenfeng Xi; Masamichi Ogasawara; Kiyohiko Nakajima; Tamotsu Takahashi","Alkenylzirconocene-Mediated Preparation of Alkenylphosphines","Journal of Organic Chemistry","2007","72","","8737","8740","10.1021/jo071089v","","","0.7107","MoKα","","","0.0437","","","","0.0574","","","","","","1.586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022968","14.335","0.001","9.7073","0.0006","18.188","0.001","90","","111.392","0.003","90","","2356.6","0.3","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Cl2 Cu2 P2 -","- C48 H62 Cl2 Cu2 P2 -","- C96 H124 Cl4 Cu4 P4 -","2","0.5","","Taichi Miyaji; Zhenfeng Xi; Masamichi Ogasawara; Kiyohiko Nakajima; Tamotsu Takahashi","Alkenylzirconocene-Mediated Preparation of Alkenylphosphines","Journal of Organic Chemistry","2007","72","","8737","8740","10.1021/jo071089v","","","0.7107","MoKα","","","0.0488","","","","0.069","","","","","","1.701","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022969","7.698","0.0012","10.0638","0.0015","14.166","0.002","90","","90","","90","","1097.4","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","","Morris J. Robins; Ireneusz Nowak; Stanislaw F. Wnuk; Fritz Hansske; Danuta Madej","Deoxygenative [1,2]-Hydride Shift Rearrangements in Nucleoside and Sugar Chemistry: Analogy with the [1,2]-Electron Shift in the Deoxygenation of Ribonucleotides by Ribonucleotide Reductase","Journal of Organic Chemistry","2007","72","","8216","8221","10.1021/jo071102b","","","0.71073","MoKα","","0.0381","0.0362","","","0.0962","0.0982","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022970","10.032","0.002","10.872","0.002","15.664","0.003","72.558","0.004","79.736","0.004","76.935","0.004","1576.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F2 N O2 -","- C18 H18 B F2 N O2 -","- C72 H72 B4 F8 N4 O8 -","4","2","","Scott Grecian; Pankaj Desai; Craig Mossman; Jennifer L. Poutsma; Jeffrey Aubé","Reactions of Cyclopropanone Acetals with Alkyl Azides: Carbonyl Addition versus Ring-Opening Pathways","Journal of Organic Chemistry","2007","72","","9439","9447","10.1021/jo0711034","","","0.71073","MoKα","","0.0562","0.0438","","","0.103","0.11","","","","","","1.006","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022971","6.666","0.002","7.178","0.002","24.391","0.005","90","","92.68","0.01","90","","1165.8","0.5","293.2","","293.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","?","- C13 H10 O5 -","- C52 H40 O20 -","4","1","","Jinhua Song; Yi Xiong Lei; Zvi Rappoport","The First Solid Enols of Anhydrides. Structure, Properties, and Enol/Anhydride Equilibria","Journal of Organic Chemistry","2007","72","","9152","9162","10.1021/jo071206m","","","0.7107","MoKalpha","","","0.076","","","0.095","","","","","1.72","1.72","","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022972","7.678","0.0008","6.5331","0.0007","8.0416","0.0009","90","","94.255","0.002","90","","402.26","0.08","295","1","295","1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 O5 -","- C8 H8 O5 -","- C16 H16 O10 -","2","0.5","","Jinhua Song; Yi Xiong Lei; Zvi Rappoport","The First Solid Enols of Anhydrides. Structure, Properties, and Enol/Anhydride Equilibria","Journal of Organic Chemistry","2007","72","","9152","9162","10.1021/jo071206m","","","0.71073","MoKα","","0.0662","0.0557","","","0.1455","0.1545","","","","","","1.057","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022973","9.2019","0.0009","10.7344","0.0011","11.9302","0.0012","105.856","0.002","94.312","0.002","114.198","0.002","1010.18","0.18","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H8 O8 -","- C9 H8 O8 -","- C36 H32 O32 -","4","2","","Jinhua Song; Yi Xiong Lei; Zvi Rappoport","The First Solid Enols of Anhydrides. Structure, Properties, and Enol/Anhydride Equilibria","Journal of Organic Chemistry","2007","72","","9152","9162","10.1021/jo071206m","","","0.71073","MoKα","","0.0687","0.0498","","","0.1134","0.1227","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022974","5.191","0.003","11.306","0.007","27.188","0.016","90","","90","","90","","1595.6","1.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 S -","- C17 H20 N O2 S -","- C68 H80 N4 O8 S4 -","4","1","","Ryo Tanaka; Koji Nakano; Kyoko Nozaki","Synthesis of α-Heteroarylpropanoic Acid via Asymmetric Hydroformylation Catalyzed by Rh(I)-(R,S)-BINAPHOS and the Subsequent Oxidation","Journal of Organic Chemistry","2007","72","","8671","8676","10.1021/jo0712190","","","0.7107","MoKα","","0.0553","0.05","","","0.0976","0.0999","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022975","10.0589","0.0019","8.5302","0.001","10.443","0.002","90","0.0019","116.249","0.002","90","0.0019","803.6","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 I O2 S -","- C18 H15 I O2 S -","- C36 H30 I2 O4 S2 -","2","1","","Ryo Tanaka; Koji Nakano; Kyoko Nozaki","Synthesis of α-Heteroarylpropanoic Acid via Asymmetric Hydroformylation Catalyzed by Rh(I)-(R,S)-BINAPHOS and the Subsequent Oxidation","Journal of Organic Chemistry","2007","72","","8671","8676","10.1021/jo0712190","","","0.7107","MoKα","","0.0218","0.0214","","","0.0533","0.0535","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022976","8.3157","0.001","9.2369","0.0014","12.748","0.002","80.999","0.012","71.729","0.011","75.395","0.012","896.6","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N3 O6 -","- C17 H21 N3 O6 -","- C34 H42 N6 O12 -","2","1","","Florian Seeliger; Stefan T. A. Berger; Grygoriy Y. Remennikov; Kurt Polborn; Herbert Mayr","Electrophilicity of 5-Benzylidene-1,3-dimethylbarbituric and -thiobarbituric Acids","Journal of Organic Chemistry","2007","72","","9170","9180","10.1021/jo071273g","","","0.71073","MoKα","","0.0701","0.0486","","0.1313","0.116","","","","1.082","1.128","1.128","","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022977","16.913","0.004","7.8644","0.0011","18.636","0.002","90","","95.354","0.012","90","","2468.1","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O5 Si -","- C23 H32 N2 O5 Si -","- C92 H128 N8 O20 Si4 -","4","1","","Florian Seeliger; Stefan T. A. Berger; Grygoriy Y. Remennikov; Kurt Polborn; Herbert Mayr","Electrophilicity of 5-Benzylidene-1,3-dimethylbarbituric and -thiobarbituric Acids","Journal of Organic Chemistry","2007","72","","9170","9180","10.1021/jo071273g","","","0.71073","MoKα","","0.0766","0.0486","","0.1456","0.1242","","","","1.076","1.117","1.117","","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022978","8.0472","0.0002","8.8718","0.0001","12.4711","0.0008","74.642","0.011","77.243","0.011","61.931","0.008","752.72","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C44 H28 N4 -","2","1","","Jonathan H. Chong; Mark J. MacLachlan","Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume","Journal of Organic Chemistry","2007","72","","8683","8690","10.1021/jo701297q","","","0.71069","MoKα","","0.058","0.0468","","","0.1115","0.1202","","","","","","1.063","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022979","12.0429","0.001","12.7446","0.0012","12.579","0.001","90","","96.992","0.004","90","","1916.3","0.3","173","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N6 -","- C26 H14 N6 -","- C104 H56 N24 -","4","1","","Jonathan H. Chong; Mark J. MacLachlan","Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume","Journal of Organic Chemistry","2007","72","","8683","8690","10.1021/jo701297q","","","0.71073","MoKα","","0.076","0.0416","","","0.0924","0.1053","","","","","","1.007","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022980","30.05","0.004","8.5056","0.0008","17.79","0.003","90","","93.173","0.005","90","","4539.9","1","173","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H18.5 N7.5 -","- C29 H18.5 N7.5 -","- C232 H148 N60 -","8","1","","Jonathan H. Chong; Mark J. MacLachlan","Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume","Journal of Organic Chemistry","2007","72","","8683","8690","10.1021/jo701297q","","","0.71073","MoKα","","0.0764","0.0397","","","0.0916","0.1071","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022981","7.9981","0.0018","8.416","0.002","15.052","0.003","74.06","0.014","85.804","0.014","64.404","0.01","877.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","1","","Jonathan H. Chong; Mark J. MacLachlan","Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume","Journal of Organic Chemistry","2007","72","","8683","8690","10.1021/jo701297q","","","0.71073","MoKα","","0.1113","0.0777","","","0.2223","0.2468","","","","","","1.089","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022982","10.188","0.004","11.488","0.004","12.96","0.005","83.02","0.03","76.48","0.03","83.77","0.02","1458.8","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C84 H54 N6 -","2","1","","Jonathan H. Chong; Mark J. MacLachlan","Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume","Journal of Organic Chemistry","2007","72","","8683","8690","10.1021/jo701297q","","","0.71073","MoKα","","0.1835","0.0882","","","0.1994","0.2365","","","","","","1.051","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022983","20.034","0.003","8.3663","0.0011","35.981","0.006","90","","98.168","0.007","90","","5969.5","1.6","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H21 Cu I N3 -","- C33 H21 Cu I N3 -","- C264 H168 Cu8 I8 N24 -","8","1","","Jonathan H. Chong; Mark J. MacLachlan","Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume","Journal of Organic Chemistry","2007","72","","8683","8690","10.1021/jo701297q","","","0.71073","MoKα","","0.1025","0.0773","","","0.1737","0.1819","","","","","","1.167","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022984","9.133","0.015","17.51","0.03","27.99","0.05","90","","90","","90","","4476","13","273","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Imidazolium-pyridino cholaphane","deoxycholic acid based imidazolium bromide salt","","- C42 H57 Br2 N5 O10 -","- C42 H57 Br2 N5 O10 -","- C168 H228 Br8 N20 O40 -","4","1","","Vijay K. Khatri; Mamta Chahar; K. Pavani; Pramod S. Pandey","Bile Acid-Based Cyclic Bisbenzimidazolium Receptors for Anion Recognition: Highly Improved Receptors for Fluoride and Chloride Ions","Journal of Organic Chemistry","2007","72","","10224","10226","10.1021/jo701341r","","","0.71073","MoKα","","0.1771","0.1003","","","0.2197","0.2748","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022985","32.158","0.009","8.977","0.003","11.478","0.003","90","","90","","90","","3313.7","1.6","108","2","108","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C37 H36 N3 O5 -","- C34 H29 N3 O5 -","- C136 H116 N12 O20 -","4","1","","Drew R. Bobeck; Don L. Warner; Edwin Vedejs","Internal Azomethine Ylide Cycloaddition Methodology for Access to the Substitution Pattern of Aziridinomitosene A","Journal of Organic Chemistry","2007","72","","8506","8518","10.1021/jo7013559","","","0.71073","MoKα","","0.1054","0.0928","","","0.2662","0.2744","","","","","","1.339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022986","17.5611","0.0011","17.5611","0.0011","19.507","0.0018","90","","90","","120","","5209.8","0.7","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H45 N3 O3 -","- C39 H45 N3 O3 -","- C234 H270 N18 O18 -","6","0.333333","","Monika Mazik; Arno C. Buthe","Oxime-Based Receptors for Mono- and Disaccharides","Journal of Organic Chemistry","2007","72","","8319","8326","10.1021/jo701370g","","","0.71073","MoKα","","0.0839","0.0618","","","0.149","0.1587","","","","","","1.061","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022987","16.8041","0.0011","13.6025","0.0008","16.8563","0.0011","90","","90.073","0.004","90","","3853","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 Cl6 N3 O3 -","- C38 H41 Cl6 N3 O3 -","- C152 H164 Cl24 N12 O12 -","4","1","","Monika Mazik; Arno C. Buthe","Oxime-Based Receptors for Mono- and Disaccharides","Journal of Organic Chemistry","2007","72","","8319","8326","10.1021/jo701370g","","","0.71073","MoKα","","0.0784","0.05","","","0.1183","0.1449","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022988","9.453","","9.564","","21.897","","90","","90","","90","","1979.7","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.0895","0.0455","","","0.0984","0.1134","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022989","8.347","","13.4","","8.915","","90","","101.62","","90","","976.7","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O8 S -","- C18 H22 O8 S -","- C36 H44 O16 S2 -","2","1","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.047","0.0363","","","0.0907","0.0966","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022990","5.231","","7.429","","16.812","","90","","90","","90","","653.3","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.1267","0.0956","","","0.2431","0.2634","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022991","5.617","","13.796","","21.594","","90","","90","","90","","1673.3","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 S -","- C12.8 H16 O4.8 S0.8 -","- C64 H80 O24 S4 -","5","1.25","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.0603","0.0401","","","0.1269","0.1493","","","","","","0.773","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022992","16.2324","0.0011","5.6544","0.0004","18.3459","0.0012","90","","115.587","0.003","90","","1518.73","0.18","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0608","0.0439","","","0.0925","0.1018","","","","","","0.945","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022993","9.8097","0.0011","16.7962","0.0018","17.0633","0.0019","90","","105","0.006","90","","2715.6","0.5","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C132 H108 N12 O12 -","4","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.1278","0.0546","","","0.1314","0.1624","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022994","6.107","0.0003","16.1821","0.0008","15.2318","0.0007","90","","92.612","0.002","90","","1503.7","0.13","223","2","223","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C38 H32 N4 O5 -","- C38 H32 N4 O5 -","- C76 H64 N8 O10 -","2","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0685","0.0536","","","0.1445","0.161","","","","","","1.069","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022995","15.9783","0.0016","6.2843","0.0007","32.044","0.003","90","","101.218","0.005","90","","3156.2","0.6","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C160 H144 N16 O8 -","8","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0653","0.0502","","","0.1233","0.132","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022996","10.7259","0.0006","18.5233","0.001","17.1998","0.0009","90","","94.687","0.003","90","","3405.8","0.3","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","2","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.113","0.0573","","","0.1487","0.1791","","","","","","1.033","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022997","9.6324","0.0002","12.4812","0.0003","14.0456","0.0003","90","","90","","90","","1688.62","0.06","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0513","0.0392","","","0.1031","0.1131","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022998","10.1537","0.001","11.5135","0.0013","12.8787","0.0012","90","","98.021","0.009","90","","1490.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0655","0.0372","","","0.0786","0.0963","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022999","9.7206","0.001","16.6521","0.0011","17.1319","0.0014","90","","104.408","0.009","90","","2685.9","0.4","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N3 O2 -","- C33 H27 N3 O2 -","- C132 H108 N12 O8 -","4","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0705","0.0426","","","0.0979","0.1096","","","","","","1.018","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4023000","9.1976","0.0009","9.2334","0.0009","11.9364","0.0012","105.374","0.002","90.475","0.002","102.84","0.002","950.55","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 N2 O3 P2 -","- C48 H42 N2 O3 P2 -","- C48 H42 N2 O3 P2 -","1","0.5","","Lee J. Higham; Jimmy Muldoon; P. Gabriel Kelly; David M. Corr; Helge Müller-Bunz; Declan G. Gilheany","A Re-Evaluation of the Electrophilic Substitution Reactions of the Ramirez Ylide","Journal of Organic Chemistry","2007","72","","8780","8785","10.1021/jo7014104","","","0.71073","MoKα","","0.0502","0.0461","","","0.1149","0.1191","","","","","","1.071","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023001","12.8311","0.0009","8.9989","0.0006","23.3818","0.0016","90","","95.3","0.001","90","","2688.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26.5 Cl2.5 O4 P -","- C30 H26.5 Cl2.5 O4 P -","- C120 H106 Cl10 O16 P4 -","4","1","","Lee J. Higham; Jimmy Muldoon; P. Gabriel Kelly; David M. Corr; Helge Müller-Bunz; Declan G. Gilheany","A Re-Evaluation of the Electrophilic Substitution Reactions of the Ramirez Ylide","Journal of Organic Chemistry","2007","72","","8780","8785","10.1021/jo7014104","","","0.71073","MoKα","","0.0895","0.0838","","","0.2269","0.2318","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023002","9.8445","0.0009","9.9154","0.0009","10.6813","0.0009","106.488","0.002","101.268","0.002","98.87","0.002","955.8","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C50 H38 O4 P2 -","2","1","","Lee J. Higham; Jimmy Muldoon; P. Gabriel Kelly; David M. Corr; Helge Müller-Bunz; Declan G. Gilheany","A Re-Evaluation of the Electrophilic Substitution Reactions of the Ramirez Ylide","Journal of Organic Chemistry","2007","72","","8780","8785","10.1021/jo7014104","","","0.71073","MoKα","","0.0495","0.0423","","","0.1069","0.1119","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023003","9.4476","0.0008","11.1704","0.001","11.3355","0.001","90.788","0.002","104.985","0.001","106.178","0.001","1105.08","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N O2 P -","- C28 H22 N O2 P -","- C56 H44 N2 O4 P2 -","2","1","","Lee J. Higham; Jimmy Muldoon; P. Gabriel Kelly; David M. Corr; Helge Müller-Bunz; Declan G. Gilheany","A Re-Evaluation of the Electrophilic Substitution Reactions of the Ramirez Ylide","Journal of Organic Chemistry","2007","72","","8780","8785","10.1021/jo7014104","","","0.71073","MoKα","","0.0434","0.0392","","","0.1018","0.1047","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023004","24.875","0.007","12.734","0.004","15.011","0.004","90","","105.595","0.005","90","","4580","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N3 P -","- C28 H18 N3 P -","- C224 H144 N24 P8 -","8","1","","Lee J. Higham; Jimmy Muldoon; P. Gabriel Kelly; David M. Corr; Helge Müller-Bunz; Declan G. Gilheany","A Re-Evaluation of the Electrophilic Substitution Reactions of the Ramirez Ylide","Journal of Organic Chemistry","2007","72","","8780","8785","10.1021/jo7014104","","","0.71073","MoKα","","0.048","0.0432","","","0.1185","0.1239","","","","","","1.03","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023005","15.5448","0.0004","23.8432","0.0006","29.1057","0.0007","90","","96.448","0.001","90","","10719.4","0.5","100","2","100","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H136 Cl2 F4 N14 O4 -","- C104 H122 Cl2 F4 N14 O4 -","- C416 H488 Cl8 F16 N56 O16 -","4","1","","Kenichi Calderon-Kawasaki; Sumith Kularatne; Yue Hu Li; Bruce C. Noll; W. Robert Scheidt; Dennis H. Burns","Synthesis of Urea Picket Porphyrins and Their Use in the Elucidation of the Role Buried Solvent Plays in the Selectivity and Stoichiometry of Anion Binding Receptors","Journal of Organic Chemistry","2007","72","","9081","9087","10.1021/jo701443c","","x-ray","0.71073","MoKα","","0.1003","0.0687","","","0.1819","0.1952","","","","","","1.036","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023006","49.4376","0.0011","15.8172","0.0004","27.3399","0.0006","90","","91.361","0.001","90","","21372.8","0.9","100","2","100","2","","","","","","","synthesized","7","C 1 2/c 1","-C 2yc","15","","","","- C109.32 H138.08 Cl2 F4 N14 O12 P2 -","- C105 H126 Cl2 F4 N14 O12 P2 -","- C840 H1008 Cl16 F32 N112 O96 P16 -","8","1","","Kenichi Calderon-Kawasaki; Sumith Kularatne; Yue Hu Li; Bruce C. Noll; W. Robert Scheidt; Dennis H. Burns","Synthesis of Urea Picket Porphyrins and Their Use in the Elucidation of the Role Buried Solvent Plays in the Selectivity and Stoichiometry of Anion Binding Receptors","Journal of Organic Chemistry","2007","72","","9081","9087","10.1021/jo701443c","","x-ray","0.71073","MoKα","","0.0702","0.0508","","","0.1427","0.1519","","","","","","1.115","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023007","26.76","0.006","5.9051","0.0012","16.435","0.003","90","","112.993","0.003","90","","2390.7","0.8","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N8 O2 -","- C22 H32 N8 O2 -","- C88 H128 N32 O8 -","4","0.5","","Joe B. Gilroy; Steve D. J. McKinnon; Pierre Kennepohl; Mark S. Zsombor; Michael J. Ferguson; Laurence K. Thompson; Robin G. Hicks","Probing Electronic Communication in Stable Benzene-Bridged Verdazyl Diradicals","Journal of Organic Chemistry","2007","72","","8062","8069","10.1021/jo7014449","","","0.71073","MoKα","","0.0879","0.0589","","","0.1459","0.1661","","","","","","1.122","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023008","25.546","0.003","9.3143","0.0009","21.518","0.002","90","","106.528","0.002","90","","4908.6","0.8","193","2","193","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H32 N8 O2 -","- C22 H32 N8 O2 -","- C176 H256 N64 O16 -","8","1","","Joe B. Gilroy; Steve D. J. McKinnon; Pierre Kennepohl; Mark S. Zsombor; Michael J. Ferguson; Laurence K. Thompson; Robin G. Hicks","Probing Electronic Communication in Stable Benzene-Bridged Verdazyl Diradicals","Journal of Organic Chemistry","2007","72","","8062","8069","10.1021/jo7014449","","","0.71073","MoKα","","0.0608","0.0462","","","0.1245","0.1376","","","","","","1.037","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023009","9.1318","0.0001","12.317","0.0002","11.1035","0.0002","90","","101.569","0.001","90","","1223.51","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H31 B N O3 P -","- C24 H31 B N O3 P -","- C48 H62 B2 N2 O6 P2 -","2","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.054","0.0386","","","0.0869","0.0945","","","","","","1.051","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023010","9.284","0.0001","19.3628","0.0002","24.2448","0.0003","90","","90","","90","","4358.35","0.08","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 B2 Fe N2 O2 P2 -","- C44 H56 B2 Fe N2 O2 P2 -","- C176 H224 B8 Fe4 N8 O8 P8 -","4","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.0586","0.0415","","","0.0925","0.101","","","","","","1.064","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023011","6.9398","0.0001","8.8621","0.0001","27.4006","0.0004","90","","90","","90","","1685.17","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 B N O P -","- C16 H21 B N O P -","- C64 H84 B4 N4 O4 P4 -","4","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.0526","0.0421","","","0.1084","0.1158","","","","","","1.066","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023012","7.6191","0.0001","12.9465","0.0001","28.2622","0.0003","90","","90","","90","","2787.8","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 B N2 O2 P -","- C28 H40 B N2 O2 P -","- C112 H160 B4 N8 O8 P4 -","4","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.0484","0.0405","","","0.1136","0.1193","","","","","","1.139","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023013","9.4914","0.0004","10.2968","0.0008","10.8371","0.0007","91.932","0.001","110.34","0.002","104.274","0.001","954.08","0.1","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C52 H40 O4 -","2","1","","Hsu-Kai Chang; Yen-Chen Liao; Rai-Shung Liu","Diversity in Platinum-Catalyzed Hydrative Cyclization of Trialkyne Substrates To Form Tetracyclic Ketones","Journal of Organic Chemistry","2007","72","","8139","8141","10.1021/jo701458b","","","0.71073","MoKα","","0.1172","0.0664","","","0.1683","0.2076","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023014","6.0745","0.0003","10.601","0.0005","9.9223","0.0005","90","","104.882","0.002","90","","617.52","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4S,E)-3-(methylthio)-3-nitro-4-styryl-4,5-dihydro-3H-pyrazole","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C24 H26 N6 O4 S2 -","2","1","","Lara Bianchi; Gianluca Giorgi; Massimo Maccagno; Giovanni Petrillo; Valeria Rocca; Fernando Sancassan; Carlo Scapolla; Elda Severi; Cinzia Tavani","Butadienic Building Blocks from 2-Nitrothiophene as Precursors of Nitrogen Heterocycles: Intriguing Dichotomic Behavior","Journal of Organic Chemistry","2007","72","","9067","9073","10.1021/jo701460k","","","0.71073","MoKα","","0.0586","0.0408","","","0.0788","0.0849","","","","","","1.039","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023015","10.9868","0.0012","8.2206","0.0009","20.436","0.002","90","","91.189","0.009","90","","1845.4","0.3","180","","180","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Grégory Franc; Serge Mazères; Cédric-Olivier Turrin; Laure Vendier; Carine Duhayon; Anne-Marie Caminade; Jean-Pierre Majoral","Synthesis and Properties of Dendrimers Possessing the Same Fluorophore(s) Located Either Peripherally or Off-Center","Journal of Organic Chemistry","2007","72","","8707","8715","10.1021/jo701462f","","","0.71073","MoKα","","0.0597","0.0362","","","0.0766","0.0836","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023016","14.6454","0.0016","5.8952","0.0009","21.063","0.002","90","","101.058","0.009","90","","1784.8","0.4","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Grégory Franc; Serge Mazères; Cédric-Olivier Turrin; Laure Vendier; Carine Duhayon; Anne-Marie Caminade; Jean-Pierre Majoral","Synthesis and Properties of Dendrimers Possessing the Same Fluorophore(s) Located Either Peripherally or Off-Center","Journal of Organic Chemistry","2007","72","","8707","8715","10.1021/jo701462f","","","0.71073","MoKα","","0.1545","0.0723","","0.1463","0.0781","0.0781","","","","","","1.5231","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023017","8.95","0.005","10.125","0.006","10.704","0.005","90.434","0.004","94.258","0.008","111.215","0.006","901.1","0.8","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H18 N O2 S -","- C40 H36 N2 O4 S2 -","2","1","","Deepak Kumar Barange; T. C. Nishad; N. Kumara Swamy; Venkanna Bandameedi; Dinesh Kumar; Bukkapattanam R. Sreekanth; K. Vyas; Manojit Pal","A Remarkable Accelerating Effect of Ag-Salt on Intramolecular Cyclization of o-(1-Alkynyl)benzenesulfonamides","Journal of Organic Chemistry","2007","72","","8547","8550","10.1021/jo701470h","","","0.7107","MoKα","","","0.0611","","","","0.0779","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023018","9.173","0.003","9.411","0.003","10.685","0.003","66.37","0.012","69.458","0.012","73.57","0.01","780.3","0.4","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C36 H38 N2 O4 S2 -","2","1","","Deepak Kumar Barange; T. C. Nishad; N. Kumara Swamy; Venkanna Bandameedi; Dinesh Kumar; Bukkapattanam R. Sreekanth; K. Vyas; Manojit Pal","A Remarkable Accelerating Effect of Ag-Salt on Intramolecular Cyclization of o-(1-Alkynyl)benzenesulfonamides","Journal of Organic Chemistry","2007","72","","8547","8550","10.1021/jo701470h","","","0.7107","MoKα","","","0.042","","","","0.047","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023019","10.041","0.003","20.673","0.005","11.1","0.003","90","","112.97","0.02","90","","2121","1","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C100 H104 O16 -","4","1","","Shinichi Saito; Shinsuke Komagawa; Isao Azumaya; Manami Masuda","Nickel-Catalyzed Intermolecular [3 + 2 + 2] Cocyclization of Ethyl Cyclopropylideneacetate and Alkynes. Synthesis of Seven-Membered Carbocycles","Journal of Organic Chemistry","2007","72","","9114","9120","10.1021/jo7014714","","","1.5418","CuKα","","","0.0434","","","","0.0712","","","","","","1.437","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023020","9.7502","0.0009","10.4517","0.001","10.5257","0.001","90","","92.547","0.001","90","","1071.57","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C56 H48 O4 -","2","1","","Moloy Banerjee; Susanna J. Emond; Sergey V. Lindeman; Rajendra Rathore","Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene-Spacer-Triphenylethylene] Triads","Journal of Organic Chemistry","2007","72","","8054","8061","10.1021/jo701474y","","","0.71073","MoKα","","0.0491","0.0451","","","0.1139","0.117","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023021","5.8309","0.0002","15.9227","0.0005","20.984","0.0006","90","","90","","90","","1948.23","0.11","100","2","100","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C48 H38 Cl4 -","- C48 H38 Cl4 -","- C96 H76 Cl8 -","2","0.25","","Moloy Banerjee; Susanna J. Emond; Sergey V. Lindeman; Rajendra Rathore","Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene-Spacer-Triphenylethylene] Triads","Journal of Organic Chemistry","2007","72","","8054","8061","10.1021/jo701474y","","","1.54178","CuKα","","0.0768","0.0748","","","0.1717","0.1728","","","","","","1.044","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023022","44.5922","0.0014","9.3105","0.0003","30.31","0.0009","90","","123.942","0.001","90","","10439.7","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C65.1 H62.2 Cl0.2 -","- C65.095 H62.19 Cl0.19 -","- C520.76 H497.52 Cl1.52 -","8","1","","Moloy Banerjee; Susanna J. Emond; Sergey V. Lindeman; Rajendra Rathore","Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene-Spacer-Triphenylethylene] Triads","Journal of Organic Chemistry","2007","72","","8054","8061","10.1021/jo701474y","","","1.54178","CuKα","","0.0966","0.0558","","","0.1221","0.1371","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023023","8.4574","0.0013","15.167","0.002","19.34","0.003","90","","90","","90","","2480.8","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Bor-Cherng Hong; Ming-Fun Wu; Hsing-Chang Tseng; Guo-Fong Huang; Cheng-Feng Su; Ju-Hsiou Liao","Organocatalytic Asymmetric Robinson Annulation of α,β-Unsaturated Aldehydes: Applications to the Total Synthesis of (+)-Palitantin","Journal of Organic Chemistry","2007","72","","8459","8471","10.1021/jo701477v","","","0.71073","MoKα","","0.2428","0.1066","","","0.1846","0.2313","","","","","","1.056","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023024","5.2691","0.0011","14.262","0.003","21.962","0.004","90","","90","","90","","1650.3","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F4 N O4 -","- C17 H17 F4 N O4 -","- C68 H68 F16 N4 O16 -","4","1","","Santos Fustero; Begoña Fernández; Juan F. Sanz-Cervera; Natalia Mateu; Silvia Mosulén; Rodrigo J. Carbajo; Antonio Pineda-Lucena; Carmen Ramírez de Arellano","Asymmetric Synthesis of Fluorinated Amino Macrolactones through Ring-Closing Metathesis","Journal of Organic Chemistry","2007","72","","8716","8723","10.1021/jo701484w","","","0.71073","MoKα","","0.2087","0.1818","","","0.4354","0.4479","","","","","","2.495","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023025","5.1217","0.001","13.763","0.003","22.709","0.005","90","","90","","90","","1600.8","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F2 N O4 -","- C17 H19 F2 N O4 -","- C68 H76 F8 N4 O16 -","4","1","","Santos Fustero; Begoña Fernández; Juan F. Sanz-Cervera; Natalia Mateu; Silvia Mosulén; Rodrigo J. Carbajo; Antonio Pineda-Lucena; Carmen Ramírez de Arellano","Asymmetric Synthesis of Fluorinated Amino Macrolactones through Ring-Closing Metathesis","Journal of Organic Chemistry","2007","72","","8716","8723","10.1021/jo701484w","","","0.71073","MoKα","","0.0624","0.0385","","","0.0735","0.0806","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023026","7.3223","0.0019","16.257","0.004","15.537","0.004","90","","101.432","0.004","90","","1812.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H Cl N O -","- C3.47826 H3.13043 Cl0.173913 N0.173913 O0.347826 -","- C80 H72 Cl4 N4 O8 -","23","5.75","","Tao Xiong; Qian Zhang; Zhiguo Zhang; Qun Liu","A Divergent Synthesis of γ-Iminolactones, Dihydroquinolin-2-ones, and γ-Lactames from β-Hydroxymethylcyclopropanylamides","Journal of Organic Chemistry","2007","72","","8005","8009","10.1021/jo701495s","","","0.71073","MoKα","","0.0887","0.0424","","","0.1069","0.1364","","","","","","0.694","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023027","10.819","0.0007","9.8363","0.0007","18.3221","0.0012","90","","92.424","0.002","90","","1948.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 I O3 -","- C22 H17 I O3 -","- C88 H68 I4 O12 -","4","1","","Chia-Wen Li; Cheng-I Wang; Hsin-Yi Liao; Rupsha Chaudhuri; Rai-Shung Liu","Synthesis of Dibenzo[g,p]chrysenes from Bis(biaryl)acetylenes via Sequential ICl-Induced Cyclization and Mizoroki-Heck Coupling","Journal of Organic Chemistry","2007","72","","9203","9207","10.1021/jo701504m","","","0.71073","MoKα","","0.1659","0.0362","","","0.0564","0.0685","","","","","","0.52","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023028","6.2709","0.0004","17.9596","0.001","18.5642","0.0012","90","","90","","90","","2090.8","0.2","173","2","173","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Philip J. Parsons; Lewis Pennicott; James Eshelby; Matthias Goessman; Adrian Highton; Peter Hitchcock","A Total Synthesis of Galbonolide B","Journal of Organic Chemistry","2007","72","","9387","9390","10.1021/jo701509r","","x-ray","0.71073","MoKα","","0.0904","0.0661","","","0.173","0.2048","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023029","7.9754","0.0005","15.9305","0.0014","6.9063","0.0005","90","","115.199","0.004","90","","793.96","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Amie M. Richardson; Chun-Hsing Chen; Barry B. Snider","Synthesis of Methyl 1-Hydroxy-6-oxo-2-cyclohexenecarboxylate, a Component of Salicortin and Tremulacin, and the Monomer of Idesolide","Journal of Organic Chemistry","2007","72","","8099","8102","10.1021/jo701512w","","","0.71073","MoKα","","0.0484","0.0387","","0.1025","0.0991","0.1025","","","","","","0.9901","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023030","11.8332","0.0006","13.9286","0.0007","17.0327","0.0006","84.775","0.002","83.451","0.002","76.16","0.002","2702.1","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C49 H76 N4 O9 S3 -","- C49 H76 N4 O9 S3 -","- C98 H152 N8 O18 S6 -","2","1","","Marie Bourgeaux; W. G. Skene","Photophysics and Electrochemistry of Conjugated Oligothiophenes Prepared by Using Azomethine Connections","Journal of Organic Chemistry","2007","72","","8882","8892","10.1021/jo701515j","","","1.54178","CuKα","","0.1306","0.115","","","0.364","0.3754","","","","","","1.134","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023031","11.13","0.004","13.871","0.005","17.619","0.006","73.23","0.03","77.02","0.03","65.93","0.03","2360.1","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetratolyl-22,24-dioxadiazuliporphyrinogen","","- C61 H49 Cl3 O2 -","- C61 H49 Cl3 O2 -","- C122 H98 Cl6 O4 -","2","1","","Natasza Sprutta; Marta Siczek; Lechosław Latos-Grażyński; Miłosz Pawlicki; Ludmiła Szterenberg; Tadeusz Lis","Dioxadiazuliporphyrin: A Near-IR Redox Switchable Chromophore","Journal of Organic Chemistry","2007","72","","9501","9509","10.1021/jo7015218","","","0.71073","MoKα","","0.0794","0.0631","","","0.173","0.1846","","","","","","1.06","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023032","12.592","0.005","12.7","0.005","17.466","0.007","75.9","0.04","83.9","0.04","67.09","0.04","2495.1","1.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","5,10,15,20-tetratolyl-22,24-dioxadiazuliporphyrin","","- C69 H53 O2 -","- C69 H53 O2 -","- C138 H106 O4 -","2","1","","Natasza Sprutta; Marta Siczek; Lechosław Latos-Grażyński; Miłosz Pawlicki; Ludmiła Szterenberg; Tadeusz Lis","Dioxadiazuliporphyrin: A Near-IR Redox Switchable Chromophore","Journal of Organic Chemistry","2007","72","","9501","9509","10.1021/jo7015218","","","1.5418","CuKα","","0.1011","0.043","","","0.0639","0.0701","","","","","","0.859","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023033","10.2118","0.0008","12.0005","0.001","13.2831","0.0011","87.9668","0.0015","74.7962","0.0015","88.7667","0.0016","1569.7","0.2","100","2","100","2","","","","","","","Lash laboratory","3","P -1","-P 1","2","","2^3^-<i>tert</i>-butyl-8,12,13,17-tetraethyl-7,18-dimethylazuliporphyrin","","- C40 H45 N3 -","- C40 H45 N3 -","- C80 H90 N6 -","2","1","","Timothy D. Lash; Jessica A. El-Beck; Gregory M. Ferrence","Syntheses and Reactivity of meso-Unsubstituted Azuliporphyrins Derived from 6-tert-Butyl- and 6-Phenylazulene","Journal of Organic Chemistry","2007","72","","8402","8415","10.1021/jo701523s","","x-ray","0.71073","MoKα","","0.1256","0.064","","","0.1509","0.1777","","","","","","1.023","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023034","13.416","0.0007","13.416","0.0007","8.1117","0.0005","90","","90","","120","","1264.41","0.12","293","2","293","2","","","","","","","","3","P 31","P 31","144","2,6-di(quinolin-8-yl)pyridine","","","- C23 H15 N3 -","- C23 H15 N3 -","- C69 H45 N9 -","3","1","","Michael Jäger; Lars Eriksson; Jonas Bergquist; Olof Johansson","Synthesis and Characterization of 2,6-Di(quinolin-8-yl)pyridines. New Ligands for Bistridentate Ru^II^ Complexes with Microsecond Luminescent Lifetimes","Journal of Organic Chemistry","2007","72","","10227","10230","10.1021/jo7015373","","","0.71073","MoKα","","0.0413","0.032","","","0.0726","0.0763","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023035","7.5535","0.0011","21.7257","0.0019","11.1055","0.0017","90","","104.193","0.018","90","","1766.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-amino-2,6-di(quinolin-8-yl)pyridine","","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","","Michael Jäger; Lars Eriksson; Jonas Bergquist; Olof Johansson","Synthesis and Characterization of 2,6-Di(quinolin-8-yl)pyridines. New Ligands for Bistridentate Ru^II^ Complexes with Microsecond Luminescent Lifetimes","Journal of Organic Chemistry","2007","72","","10227","10230","10.1021/jo7015373","","","0.71073","MoKα","","0.2379","0.0824","","","0.171","0.2264","","","","","","0.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023036","8.2923","0.0006","9.8389","0.0007","11.8651","0.0008","67.29","0.002","71.557","0.001","83.485","0.001","847.08","0.1","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H3 N O3 S -","- C3 H3 N O3 S -","- C18 H18 N6 O18 S6 -","6","3","","Sonia Torrico Vallejos; Mauricio F. Erben; Helge Willner; Roland Boese; Carlos O. Della Védova","Preparation and Properties of Methoxycarbonylsulfenyl Isocyanate, CH~3~OC(O)SNCO","Journal of Organic Chemistry","2007","72","","9074","9080","10.1021/jo701543g","","","0.71073","MoKα","","0.0311","0.0285","","","0.0778","0.0801","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023037","8.3073","0.0004","10.3617","0.0005","20.5313","0.0009","90","","90","","90","","1767.29","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.047","0.04","","","0.0882","0.092","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023038","7.4035","0.0005","11.2369","0.0008","10.9184","0.0008","90","","97.113","0.003","90","","901.34","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.0405","0.0348","","","0.0779","0.0812","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023039","14.676","0.003","7.4129","0.0017","17.361","0.004","90","","103.458","0.007","90","","1836.8","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O2 -","- C21 H34 O2 -","- C84 H136 O8 -","4","2","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.079","0.0597","","","0.1342","0.1462","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023040","9.7145","0.0012","7.7115","0.0009","14.613","0.002","90","","94.9","0.008","90","","1090.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O4 -","- C25 H38 O4 -","- C50 H76 O8 -","2","1","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.1008","0.053","","","0.093","0.1094","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023041","11.144","0.002","12.339","0.003","18.422","0.004","104.47","0.03","101.85","0.03","102.7","0.03","2300.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 Cl O2 -","- C27 H27 Cl O2 -","- C108 H108 Cl4 O8 -","4","2","","Yan-Chao Wu; Li Liu; Yu-Liang Liu; Dong Wang; Yong-Jun Chen","TFA-Mediated Tandem Friedel-Crafts Alkylation/Cyclization/Hydrogen Transfer Process for the Synthesis of Flavylium Compounds","Journal of Organic Chemistry","2007","72","","9383","9386","10.1021/jo7015604","","","0.71073","MoKα","","0.1554","0.068","","","0.1566","0.181","","","","","","1.065","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023042","11.473","0.003","16.216","0.005","8.311","0.002","90","","90","","90","","1546.2","0.7","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","1","","Yan-Chao Wu; Li Liu; Yu-Liang Liu; Dong Wang; Yong-Jun Chen","TFA-Mediated Tandem Friedel-Crafts Alkylation/Cyclization/Hydrogen Transfer Process for the Synthesis of Flavylium Compounds","Journal of Organic Chemistry","2007","72","","9383","9386","10.1021/jo7015604","","","0.71073","MoKα","","0.0987","0.0426","","","0.0771","0.0952","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023043","6.5694","0.0019","7.825","0.002","9.863","0.003","76.478","0.004","78.156","0.004","82.191","0.004","480.4","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F3 N O -","- C10 H8 F3 N O -","- C20 H16 F6 N2 O2 -","2","1","","Zengxue Wang; Wen Wan; Haizhen Jiang; Jian Hao","One-Pot Cyclization of 2-Aminophenethyl Alcohols: A Novel and Direct Approach to the Synthesis of N-Acyl Indolines","Journal of Organic Chemistry","2007","72","","9364","9367","10.1021/jo701566v","","","0.71073","MoKα","","0.1087","0.0553","","","0.1334","0.159","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023044","7.2404","0.0009","10.3639","0.0014","12.95","0.0017","71.853","0.002","85.126","0.003","75.511","0.003","894","0.2","273","2","273","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Arindam Das; Hsuan-Hung Liao; Rai-Shung Liu","Platinum-Catalyzed Chemoselectively Hydrative Dimerization of 2-Alkynyl-1-acetylbenzenes for One-Pot Facile Synthesis of Chrysene Derivatives","Journal of Organic Chemistry","2007","72","","9214","9218","10.1021/jo701580r","","","0.71073","MoKα","","0.0781","0.0526","","","0.1219","0.1326","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023045","18.328","0.014","5.544","0.004","27.29","0.02","90","","96.845","0.014","90","","2753","4","294","2","294","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 -","- C40 H32 -","- C160 H128 -","4","1","","Arindam Das; Hsuan-Hung Liao; Rai-Shung Liu","Platinum-Catalyzed Chemoselectively Hydrative Dimerization of 2-Alkynyl-1-acetylbenzenes for One-Pot Facile Synthesis of Chrysene Derivatives","Journal of Organic Chemistry","2007","72","","9214","9218","10.1021/jo701580r","","","0.71073","MoKα","","0.3892","0.0416","","","0.0417","0.0796","","","","","","0.56","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023046","8.037","0.002","9.317","0.002","31.679","0.007","90","","96.341","0.004","90","","2357.6","1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O7 -","- C25 H25 N O7 -","- C100 H100 N4 O28 -","4","1","","Kailiang Wang; Qingmin Wang; Runqiu Huang","Efficient Synthesis of a New Structural Phenanthro[9,10,3',4']indolizidine Starting from Pyrrole","Journal of Organic Chemistry","2007","72","","8416","8421","10.1021/jo701590p","","","0.71073","MoKα","","0.0879","0.0459","","","0.122","0.1442","","","","","","1.052","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023047","6.2166","0.0006","14.528","0.003","14.394","0.003","90","","86.519","0.01","90","","1297.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","allenene","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C56 H60 N4 O8 S4 -","4","1","","So Hee Sim; Sang Ick Lee; Junhyeok Seo; Young Keun Chung","Mercury(II) Triflate-Catalyzed Cycloisomerization of Allenynes to Allenenes","Journal of Organic Chemistry","2007","72","","9818","9821","10.1021/jo701591e","","","0.71069","MoKα","","0.1425","0.0639","","","0.1446","0.1791","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023048","7.7412","0.0015","9.4702","0.0019","15.071","0.003","96.07","0.03","102.1","0.03","97.26","0.03","1061.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C44 H52 N4 O10 -","2","1","","Hanns Martin Kaiser; Ivo Zenz; Wei Fun Lo; Anke Spannenberg; Kristin Schröder; Haijun Jiao; Dirk Gördes; Matthias Beller; Man Kin Tse","Preparation of Novel Unsymmetrical Bisindoles under Solvent-Free Conditions: Synthesis, Crystal Structures, and Mechanistic Aspects","Journal of Organic Chemistry","2007","72","","8847","8858","10.1021/jo7016026","","","0.71073","MoKα","","0.0711","0.0407","","","0.0885","0.0948","","","","","","0.82","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023049","9.5642","0.0006","27.4004","0.0019","11.5292","0.0006","90","","99.372","0.005","90","","2981","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N3 O7 S -","- C29 H33 N3 O7 S -","- C116 H132 N12 O28 S4 -","4","1","","Hanns Martin Kaiser; Ivo Zenz; Wei Fun Lo; Anke Spannenberg; Kristin Schröder; Haijun Jiao; Dirk Gördes; Matthias Beller; Man Kin Tse","Preparation of Novel Unsymmetrical Bisindoles under Solvent-Free Conditions: Synthesis, Crystal Structures, and Mechanistic Aspects","Journal of Organic Chemistry","2007","72","","8847","8858","10.1021/jo7016026","","","0.71073","MoKα","","0.0871","0.0532","","","0.1415","0.1517","","","","","","0.917","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023050","8.6278","0.0017","12.338","0.003","13.931","0.003","81.54","0.03","80.18","0.03","76.03","0.03","1409.2","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O7 S -","- C28 H32 N4 O7 S -","- C56 H64 N8 O14 S2 -","2","1","","Hanns Martin Kaiser; Ivo Zenz; Wei Fun Lo; Anke Spannenberg; Kristin Schröder; Haijun Jiao; Dirk Gördes; Matthias Beller; Man Kin Tse","Preparation of Novel Unsymmetrical Bisindoles under Solvent-Free Conditions: Synthesis, Crystal Structures, and Mechanistic Aspects","Journal of Organic Chemistry","2007","72","","8847","8858","10.1021/jo7016026","","","0.71073","MoKα","","0.045","0.033","","","0.0863","0.0886","","","","","","1.05","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023051","10.3736","0.0004","11.465","0.0005","13.1802","0.0005","88.041","0.003","71.034","0.003","68.628","0.003","1374.19","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N3 O7 S -","- C28 H31 N3 O7 S -","- C56 H62 N6 O14 S2 -","2","1","","Hanns Martin Kaiser; Ivo Zenz; Wei Fun Lo; Anke Spannenberg; Kristin Schröder; Haijun Jiao; Dirk Gördes; Matthias Beller; Man Kin Tse","Preparation of Novel Unsymmetrical Bisindoles under Solvent-Free Conditions: Synthesis, Crystal Structures, and Mechanistic Aspects","Journal of Organic Chemistry","2007","72","","8847","8858","10.1021/jo7016026","","","0.71073","MoKα","","0.0513","0.0379","","","0.0947","0.0979","","","","","","1.024","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023052","13.641","0.003","16.424","0.003","12.005","0.002","90","","94.29","0.03","90","","2682.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N4 O5 S -","- C29 H26 N4 O5 S -","- C116 H104 N16 O20 S4 -","4","1","","Hanns Martin Kaiser; Ivo Zenz; Wei Fun Lo; Anke Spannenberg; Kristin Schröder; Haijun Jiao; Dirk Gördes; Matthias Beller; Man Kin Tse","Preparation of Novel Unsymmetrical Bisindoles under Solvent-Free Conditions: Synthesis, Crystal Structures, and Mechanistic Aspects","Journal of Organic Chemistry","2007","72","","8847","8858","10.1021/jo7016026","","","0.71073","MoKα","","0.0879","0.0424","","","0.0816","0.0901","","","","","","0.81","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023053","12.698","0.003","8.0757","0.0016","17.149","0.003","90","","102.88","0.03","90","","1714.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Hanns Martin Kaiser; Ivo Zenz; Wei Fun Lo; Anke Spannenberg; Kristin Schröder; Haijun Jiao; Dirk Gördes; Matthias Beller; Man Kin Tse","Preparation of Novel Unsymmetrical Bisindoles under Solvent-Free Conditions: Synthesis, Crystal Structures, and Mechanistic Aspects","Journal of Organic Chemistry","2007","72","","8847","8858","10.1021/jo7016026","","","0.71073","MoKα","","0.0597","0.0322","","","0.0637","0.0679","","","","","","0.811","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023054","39.056","0.0018","12.115","0.0005","11.669","0.0005","90","","90","","90","","5521.3","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H30 N O P -","- C35 H30 N O P -","- C280 H240 N8 O8 P8 -","8","2","","Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Fernando López-Ortiz","Dearomatizing Anionic Cyclization of N-Alkyl-N-benzyl(dinaphthyl)phosphinamides. A Facile Route to γ-(Amino)dihydronaphthalenylphosphinic Acids","Journal of Organic Chemistry","2007","72","","9704","9712","10.1021/jo701607s","","","0.71069","MoKα","","0.1155","0.0484","","","0.0853","0.1221","","","","","","0.835","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023055","21.149","0.009","19.342","0.009","11.087","0.005","90","","95.463","0.013","90","","4515","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N O P -","- C28 H24 N O P -","- C224 H192 N8 O8 P8 -","8","2","","Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Fernando López-Ortiz","Dearomatizing Anionic Cyclization of N-Alkyl-N-benzyl(dinaphthyl)phosphinamides. A Facile Route to γ-(Amino)dihydronaphthalenylphosphinic Acids","Journal of Organic Chemistry","2007","72","","9704","9712","10.1021/jo701607s","","","0.71073","MoKα","","0.1129","0.0503","","","0.0996","0.1357","","","","","","0.839","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023056","8.839","0.003","19.75","0.007","22.287","0.007","90","","97.521","0.015","90","","3857","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H84 I4 N8 O30 -","- C60 H84 I4 N8 O30 -","- C120 H168 I8 N16 O60 -","2","1","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.197","0.0873","","","0.1893","0.236","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023057","7.2301","0.0002","17.5814","0.0008","19.1174","0.0008","90","","90","","90","","2430.11","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O8 -","- C26 H25 N3 O8 -","- C104 H100 N12 O32 -","4","1","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.079","0.042","","","0.0855","0.0982","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023058","8.1672","0.0003","13.4581","0.0006","31.873","0.0012","90","","90","","90","","3503.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I N2 O7 -","- C14 H19 I N2 O7 -","- C112 H152 I8 N16 O56 -","8","2","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.0896","0.0531","","","0.1012","0.1126","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023059","15.9578","0.0007","6.217","0.0004","17.4652","0.001","90","","101.03","0.002","90","","1700.71","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C64 H84 N12 O20 -","4","2","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.0993","0.0462","","","0.1242","0.159","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023060","25.843","0.002","13.9239","0.0011","28.316","0.002","90","","116.791","0.001","90","","9095.4","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C416 H448 N32 O32 -","16","2","","Paul R. Blakemore; Selena D. Milicevic; Lev N. Zakharov","Enzymatic Resolution of 7,7'-Dihydroxy-8,8'-biquinolyl Dipentanoate and Its Conversion to 2,2'-Di-tert-butyl-7,7'-dihydroxy-8,8'-biquinolyl","Journal of Organic Chemistry","2007","72","","9368","9371","10.1021/jo701611u","","","0.71073","MoKα","","0.0621","0.0488","","","0.1259","0.1376","","","","","","1.026","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023061","9.6812","0.001","14.3823","0.001","15.626","0.002","90","","97.944","0.004","90","","2154.9","0.4","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","Paquette 1456","","","- C24 H38 O6 -","- C24 H38 O6 -","- C96 H152 O24 -","4","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.0618","0.0433","","","0.1081","0.1161","","","","","","1.055","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023062","10.6475","0.001","8.5764","0.001","12.78","0.002","90","","113.614","0.007","90","","1069.3","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Paquette 1422","","","- C24 H38 O6 -","- C24 H38 O6 -","- C48 H76 O12 -","2","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.0524","0.0448","","","0.1141","0.1193","","","","","","1.059","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023063","10.9912","0.001","13.996","0.002","14.35","0.002","90","","106.475","0.006","90","","2116.8","0.5","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","Paquette 1432","","","- C24 H38 O6 -","- C24 H38 O6 -","- C96 H152 O24 -","4","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.075","0.0474","","","0.1183","0.1294","","","","","","1.075","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023064","11.9083","0.001","14.174","0.001","13.367","0.002","90","","109.92","0.004","90","","2121.2","0.4","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","Paquette 1418","","","- C24 H38 O6 -","- C24 H38 O6 -","- C96 H152 O24 -","4","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.0777","0.0512","","","0.1308","0.1445","","","","","","1.052","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023065","12.194","0.002","14.252","0.002","12.946","0.002","90","","109.525","0.008","90","","2120.6","0.6","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","Paquette 1437","","","- C24 H38 O6 -","- C24 H38 O6 -","- C96 H152 O24 -","4","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.0789","0.0491","","","0.1144","0.1269","","","","","","1.051","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023066","11.961","0.001","14.4933","0.001","13.1231","0.001","90","","110.603","0.004","90","","2129.4","0.3","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","Paquette 1438","","","- C24 H38 O6 -","- C24 H38 O6 -","- C96 H152 O24 -","4","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.0601","0.0431","","","0.1088","0.1164","","","","","","1.05","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023067","17.16","0.002","8.8142","0.001","14.308","0.002","90","","96.688","0.005","90","","2149.3","0.5","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","Paquette 1442","","","- C24 H38 O6 -","- C24 H38 O6 -","- C96 H152 O24 -","4","1","","David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette","X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments","Journal of Organic Chemistry","2007","72","","9088","9101","10.1021/jo7016229","","x-ray","0.71073","MoKα","","0.0778","0.047","","","0.1117","0.1231","","","","","","1.039","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023068","9.0254","0.0008","10.636","0.001","11.5572","0.001","90","","95.432","0.001","90","","1104.44","0.17","294","2","294","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Hai-Long Wei; Ze-Yi Yan; Yan-Ning Niu; Gao-Qiang Li; Yong-Min Liang","New Light on an Old Story: Facile and Efficient Synthesis of 1,3-Diaryl-5-spirohexahydro- pyrimidines via a Six-Molecule, Three-Component Mannich-Type Reaction","Journal of Organic Chemistry","2007","72","","8600","8603","10.1021/jo7016235","","","0.71073","MoKα","","0.0544","0.04","","","0.1082","0.1228","","","","","","0.827","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023069","11.6015","0.0018","13.783","0.002","19.737","0.003","98.258","0.002","104.045","0.002","105.721","0.002","2872.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H65 F12 N3 O14 P2 -","- C49 H59 F12 N3 O14 P2 -","- C98 H118 F24 N6 O28 P4 -","2","1","","Jinqiang Zhang; Feihe Huang; Ning Li; Hong Wang; Harry W. Gibson; Peter Gantzel; Arnold L. Rheingold","Paraquat Substituent Effect on Complexation with a Dibenzo-24-crown-8-Based Cryptand","Journal of Organic Chemistry","2007","72","","8935","8938","10.1021/jo701653q","","","0.71073","MoKα","","0.0946","0.0756","","","0.2125","0.226","","","","","","1.144","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023070","12.4297","0.0012","14.388","0.0014","15.8418","0.0015","95.354","0.002","90.6","0.002","108.356","0.002","2674.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H57 F12 N3 O13 P2 -","- C51 H57 F12 N3 O13 P2 -","- C102 H114 F24 N6 O26 P4 -","2","1","","Jinqiang Zhang; Feihe Huang; Ning Li; Hong Wang; Harry W. Gibson; Peter Gantzel; Arnold L. Rheingold","Paraquat Substituent Effect on Complexation with a Dibenzo-24-crown-8-Based Cryptand","Journal of Organic Chemistry","2007","72","","8935","8938","10.1021/jo701653q","","","0.71073","MoKα","","0.061","0.0461","","","0.1186","0.1282","","","","","","1.026","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023071","5.7476","0.0016","10.267","0.003","29.264","0.008","90","","90","","90","","1726.8","0.8","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Hong Cao; Wen-Jing Xiao; Howard Alper","Dramatic Effects of Ionic Liquids on the Palladium-Catalyzed Cyclocarbonylation of Enynols with Thiols","Journal of Organic Chemistry","2007","72","","8562","8564","10.1021/jo701675e","","","0.71073","MoKα","","0.0592","0.044","","","0.109","0.1177","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023072","10.7984","0.0002","10.7984","0.0002","11.9281","0.0002","90","","90","","90","","1390.88","0.04","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C8 H8 N2 -","- C8 H8 N2 -","- C64 H64 N16 -","8","0.5","","Sanjeev K. Dey; David A. Lightner","1,1'-Bipyrroles: Synthesis and Stereochemistry","Journal of Organic Chemistry","2007","72","","9395","9397","10.1021/jo7016789","","","0.71073","MoKα","","0.037","0.0352","","","0.1065","0.1091","","","","","","1.074","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023073","10.754","0.004","11.152","0.004","15.233","0.005","90","","90","","90","","1826.8","1.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C80 H80 Br4 N4 O12 -","4","1","","Jamie L. Zigterman; Jacqueline C. S. Woo; Shawn D. Walker; Jason S. Tedrow; Christopher J. Borths; Emilio E. Bunel; Margaret M. Faul","Highly Selective Rhodium-Catalyzed Conjugate Addition Reactions of 4-Oxobutenamides","Journal of Organic Chemistry","2007","72","","8870","8876","10.1021/jo701682c","","","0.71073","MoKα","","0.0392","0.0316","","","0.0736","0.0766","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023074","6.436","0.002","11.263","0.004","24.913","0.009","90","","90","","90","","1806","1.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C80 H80 Br4 N4 O12 -","4","1","","Jamie L. Zigterman; Jacqueline C. S. Woo; Shawn D. Walker; Jason S. Tedrow; Christopher J. Borths; Emilio E. Bunel; Margaret M. Faul","Highly Selective Rhodium-Catalyzed Conjugate Addition Reactions of 4-Oxobutenamides","Journal of Organic Chemistry","2007","72","","8870","8876","10.1021/jo701682c","","","0.71073","MoKα","","0.0746","0.0538","","","0.1175","0.127","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023075","10.207","0.002","15.353","0.003","18.652","0.004","90","","90","","90","","2922.9","1","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 B F4 P2 Rh -","- C31 H40 B F4 P2 Rh -","- C124 H160 B4 F16 P8 Rh4 -","4","1","","Jamie L. Zigterman; Jacqueline C. S. Woo; Shawn D. Walker; Jason S. Tedrow; Christopher J. Borths; Emilio E. Bunel; Margaret M. Faul","Highly Selective Rhodium-Catalyzed Conjugate Addition Reactions of 4-Oxobutenamides","Journal of Organic Chemistry","2007","72","","8870","8876","10.1021/jo701682c","","","0.71073","MoKα","","0.0366","0.0297","","","0.0665","0.0692","","","","","","1.02","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023076","8.2521","0.0002","26.0932","0.001","42.7518","0.0015","90","","92.152","0.002","90","","9199","0.5","120","2","120","2","","","","","","","Gareth Bates","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H146 Cl3 N11 O5 -","- C92 H146 Cl3 N11 O5 -","- C368 H584 Cl12 N44 O20 -","4","1","","Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale","2,7-Functionalized Indoles as Receptors for Anions","Journal of Organic Chemistry","2007","72","","8921","8927","10.1021/jo701702p","","","0.71073","MoKα","","0.1833","0.0836","","","0.1909","0.2441","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023077","8.3464","0.0003","10.5112","0.0003","13.0482","0.0004","76.453","0.002","85.668","0.002","84.522","0.002","1106.12","0.06","120","2","120","2","","","","","","","Gareth Bates","5","P -1","-P 1","2","","","","- C24 H24 N4 O3 S -","- C24 H24 N4 O3 S -","- C48 H48 N8 O6 S2 -","2","1","","Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale","2,7-Functionalized Indoles as Receptors for Anions","Journal of Organic Chemistry","2007","72","","8921","8927","10.1021/jo701702p","","","0.71073","MoKα","","0.0728","0.0476","","","0.1082","0.1215","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023078","7.6003","0.0002","12.0848","0.0004","12.5665","0.0004","83.469","0.002","78.876","0.002","71.766","0.002","1073.89","0.06","120","2","120","2","","","","","","","Gareth Bates","5","P -1","-P 1","2","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C48 H46 N6 O6 S2 -","2","1","","Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale","2,7-Functionalized Indoles as Receptors for Anions","Journal of Organic Chemistry","2007","72","","8921","8927","10.1021/jo701702p","","","0.71073","MoKα","","0.0782","0.0585","","","0.1195","0.1322","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023079","8.5044","0.0002","12.4661","0.0004","16.052","0.0005","91.946","0.001","99.404","0.002","109.096","0.002","1579.53","0.08","120","2","120","2","","","","","","","Gareth Bates","5","P 1","P 1","1","","","","- C68 H100 N6 O5 S -","- C68 H100 N6 O5 S -","- C68 H100 N6 O5 S -","1","1","","Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale","2,7-Functionalized Indoles as Receptors for Anions","Journal of Organic Chemistry","2007","72","","8921","8927","10.1021/jo701702p","","","0.71073","MoKα","","0.0842","0.0542","","","0.1176","0.13","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023080","9.8982","0.0005","10.0741","0.0004","11.599","0.0006","76.08","0.003","88.484","0.002","87.099","0.002","1121.07","0.09","120","2","120","2","","","","","","","Gareth Bates","5","P -1","-P 1","2","","","","- C25 H25 N3 O3 S -","- C25 H25 N3 O3 S -","- C50 H50 N6 O6 S2 -","2","1","","Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale","2,7-Functionalized Indoles as Receptors for Anions","Journal of Organic Chemistry","2007","72","","8921","8927","10.1021/jo701702p","","","0.71073","MoKα","","0.1174","0.05","","","0.0976","0.1167","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023081","23.6704","0.0005","9.3018","0.0002","16.9937","0.0003","90","","98.944","0.001","90","","3696.13","0.13","120","2","120","2","","","","","","","Gareth Bates","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C184 H152 N24 O16 -","8","1","","Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale","2,7-Functionalized Indoles as Receptors for Anions","Journal of Organic Chemistry","2007","72","","8921","8927","10.1021/jo701702p","","","0.71073","MoKα","","0.0832","0.0507","","","0.1134","0.129","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023082","7.2975","0.0007","9.7288","0.0009","11.1396","0.0011","90","","90","","90","","790.87","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 8g (RS-300, 1237)","(-)-(1R,2R,6R,7S)-4,8-Dioxa-tricyclo[5.2.2.0^2,6^]undecan-9-one","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Radka Snajdrova; Ingbert Braun; Thorsten Bach; Kurt Mereiter; Marko D. Mihovilovic","Biooxidation of Bridged Cycloketones Using Baeyer-Villiger Monooxygenases of Various Bacterial Origin","Journal of Organic Chemistry","2007","72","","9597","9603","10.1021/jo701704x","","","0.71073","MoKα","","0.0357","0.0345","","","0.0891","0.0906","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023083","6.2699","0.0014","6.4057","0.0014","22.715","0.005","90","","90","","90","","912.3","0.4","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O6 -","- C8 H11 N O6 -","- C32 H44 N4 O24 -","4","1","","Jamie L. Cohen; A. Richard Chamberlin","Diastereoselective Synthesis of Glutamate-Appended Oxolane Rings: Synthesis of (S)-(+)-Lycoperdic Acid","Journal of Organic Chemistry","2007","72","","9240","9247","10.1021/jo7017137","","","0.71073","MoKα","","0.05","0.0421","","","0.1022","0.1104","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023084","7.547","0.002","14.366","0.004","15.884","0.005","96.597","0.006","93.047","0.006","90.073","0.006","1708.4","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","2","","Guijie Li; Shaolin Zhou; Guowei Su; Yuanhong Liu; Peng George Wang","Improved Synthesis of Aryl-Substituted Anthracenes and Heteroacenes","Journal of Organic Chemistry","2007","72","","9830","9833","10.1021/jo7017334","","","0.71073","MoKα","","0.1739","0.1222","","","0.3569","0.3803","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023085","9.5009","0.0015","9.2869","0.0015","10.3122","0.0017","90","","102.262","0.003","90","","889.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C48 H28 S4 -","2","1","","Guijie Li; Shaolin Zhou; Guowei Su; Yuanhong Liu; Peng George Wang","Improved Synthesis of Aryl-Substituted Anthracenes and Heteroacenes","Journal of Organic Chemistry","2007","72","","9830","9833","10.1021/jo7017334","","","0.71073","MoKα","","0.0787","0.0709","","","0.1821","0.1908","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023086","7.2006","0.0007","6.1942","0.0006","18.1343","0.0019","90","","94.042","0.003","90","","806.81","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F2 N O -","- C8 H8 B F2 N O -","- C32 H32 B4 F8 N4 O4 -","4","1","","Alexander D. Dilman; Dmitry E. Arkhipov; Vitalij V. Levin; Pavel A. Belyakov; Alexander A. Korlyukov; Marina I. Struchkova; Vladimir A. Tartakovsky","Trifluoromethylation of Salicyl Aldimines","Journal of Organic Chemistry","2007","72","","8604","8607","10.1021/jo701734d","","","0.71073","MoKα","","0.0628","0.0415","","","0.0993","0.1094","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023087","16.2097","0.0018","8.0929","0.0008","21.989","0.002","90","","94.95","0.002","90","","2873.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H21 Cl O2 -","- C43 H21 Cl O2 -","- C172 H84 Cl4 O8 -","4","1","","Yu-Hsuan Wang; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Construction of Unusual and Congested Polycyclic Structures via Benzannulated Enediynyl Alcohols Derived from Truxenone","Journal of Organic Chemistry","2007","72","","9604","9608","10.1021/jo701736y","","","0.71073","MoKα","","0.0907","0.0509","","","0.1269","0.1499","","","","","","1.019","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023088","8.0255","0.0007","15.4718","0.0015","16.9075","0.0016","91.457","0.002","99.299","0.002","90.126","0.002","2071.1","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H32 O3 -","- C59 H32 O3 -","- C118 H64 O6 -","2","1","","Yu-Hsuan Wang; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Construction of Unusual and Congested Polycyclic Structures via Benzannulated Enediynyl Alcohols Derived from Truxenone","Journal of Organic Chemistry","2007","72","","9604","9608","10.1021/jo701736y","","","0.71073","MoKα","","0.2199","0.0708","","","0.1432","0.191","","","","","","0.914","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023089","15.8932","0.0011","16.4553","0.0011","17.6576","0.0011","89.152","0.001","84.07","0.001","78.997","0.001","4508.7","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C62.5 H38 Cl3 O -","- C59.5 H31 Cl3 O -","- C238 H124 Cl12 O4 -","4","2","","Yu-Hsuan Wang; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Construction of Unusual and Congested Polycyclic Structures via Benzannulated Enediynyl Alcohols Derived from Truxenone","Journal of Organic Chemistry","2007","72","","9604","9608","10.1021/jo701736y","","","0.71073","MoKα","","0.1591","0.0654","","","0.1444","0.1698","","","","","","0.814","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023090","15.1872","0.0017","16.2849","0.0018","23.826","0.002","90","","104.304","0.002","90","","5710","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H48 Cl2 O2 -","- C75 H40 Cl2 O -","- C300 H160 Cl8 O4 -","4","1","","Yu-Hsuan Wang; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Construction of Unusual and Congested Polycyclic Structures via Benzannulated Enediynyl Alcohols Derived from Truxenone","Journal of Organic Chemistry","2007","72","","9604","9608","10.1021/jo701736y","","","0.71073","MoKα","","0.2261","0.0745","","","0.1699","0.205","","","","","","0.767","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023091","13.1629","0.0005","12.1018","0.0004","33.8984","0.0012","90","","96.627","0.001","90","","5363.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 Cl4 F3 O6 P2 Pd S -","- C56 H47 Cl4 F3 O6 P2 Pd S -","- C224 H188 Cl16 F12 O24 P8 Pd4 S4 -","4","1","","Ana Minatti; Xiaolai Zheng; Stephen L. Buchwald","Synthesis of Chiral 3-Substituted Indanones via an Enantioselective Reductive-Heck Reaction","Journal of Organic Chemistry","2007","72","","9253","9258","10.1021/jo701741y","","","0.71073","MoKα","","0.067","0.049","","","0.1102","0.1193","","","","","","1.061","","","","has coordinates,has disorder","178409","2020-10-21","18:00:00",""
"4023092","7.001","0.0002","12.2264","0.0003","7.3355","0.0002","90","","92.6343","0.0018","90","","627.23","0.03","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","auricularin","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Anastasia Karioti; Helen Skaltsa; Anthony Linden; Remo Perozzo; Reto Brun; Deniz Tasdemir","Anthecularin: A Novel Sesquiterpene Lactone from Anthemis auriculata with Antiprotozoal Activity","Journal of Organic Chemistry","2007","72","","8103","8106","10.1021/jo701751w","","","0.71073","MoKα","","0.0468","0.0432","","","0.1002","0.1037","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023093","18.417","0.003","20.223","0.003","21.134","0.003","101.472","0.004","109.674","0.002","114.633","0.001","6185.7","1.7","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C136 H94 -","- C136 H94 -","- C272 H188 -","2","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of A Triptycene-Based Nanosized Molecular Cage","Journal of Organic Chemistry","2007","72","","9339","9341","10.1021/jo7017526","","","0.7107","MoKα","","0.2579","0.1505","","","0.3849","0.4404","","","","","","1.091","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023094","11.7549","0.0011","12.055","0.0011","16.4347","0.0015","100.452","0.002","109.624","0.002","99.259","0.002","2094.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N O2 -","- C23 H31 N O2 -","- C92 H124 N4 O8 -","4","2","","Anne-Marie L. Hogan; Donal F. O'Shea","Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis","Journal of Organic Chemistry","2007","72","","9557","9571","10.1021/jo7017679","","","0.71073","MoKα","","0.0534","0.0399","","","0.0934","0.0993","","","","","","1.028","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023095","19.9518","0.0016","12.7312","0.001","8.8934","0.0007","90","","90","","90","","2259","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C96 H124 N4 O16 -","4","1","","Anne-Marie L. Hogan; Donal F. O'Shea","Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis","Journal of Organic Chemistry","2007","72","","9557","9571","10.1021/jo7017679","","","0.71073","MoKα","","0.045","0.042","","","0.1014","0.1033","","","","","","1.04","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023096","9.5778","0.0007","11.0329","0.0008","10.1225","0.0007","90","","110.243","0.001","90","","1003.58","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H29 N -","- C25 H29 N -","- C50 H58 N2 -","2","1","","Anne-Marie L. Hogan; Donal F. O'Shea","Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis","Journal of Organic Chemistry","2007","72","","9557","9571","10.1021/jo7017679","","","0.71073","MoKα","","0.0419","0.0406","","","0.1015","0.1028","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023097","12.3364","0.0018","16.782","0.003","10.5661","0.0016","90","","105.645","0.003","90","","2106.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","","Anne-Marie L. Hogan; Donal F. O'Shea","Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis","Journal of Organic Chemistry","2007","72","","9557","9571","10.1021/jo7017679","","","0.71073","MoKα","","0.0606","0.0523","","","0.1329","0.14","","","","","","1.052","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023098","10.8918","0.0009","15.3765","0.0013","22.5143","0.0018","90","","94.425","0.002","90","","3759.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C176 H216 N8 O24 -","8","2","","Anne-Marie L. Hogan; Donal F. O'Shea","Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis","Journal of Organic Chemistry","2007","72","","9557","9571","10.1021/jo7017679","","","0.71073","MoKα","","0.0519","0.0458","","","0.1177","0.1222","","","","","","1.028","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023099","10.2966","0.0013","6.4115","0.0008","10.7707","0.0014","90","","98.091","0.002","90","","703.97","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 N O8 S -","- C12 H15 N O8 S -","- C24 H30 N2 O16 S2 -","2","1","","Alessandra Cordeiro; María Luisa Jimeno; Miguel A. Maestro; María-José Camarasa; Ernesto Quesada; Ana San-Félix","Synthesis of Highly Condensed Polycyclic Carbohydrates by Reaction of a Spirocyclic Enamino Sulfonate Derived from D-Xylofuranose with Bifunctional Reagents","Journal of Organic Chemistry","2007","72","","9713","9721","10.1021/jo701775a","","","0.71073","MoKα","","0.0825","0.0523","","","0.0946","0.1038","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023100","6.3666","0.0004","15.3404","0.0009","17.1852","0.0013","90","","90","","90","","1678.41","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Sha Lou; Peng Dai; Scott E. Schaus","Asymmetric Mannich Reaction of Dicarbonyl Compounds with α-Amido Sulfones Catalyzed by Cinchona Alkaloids and Synthesis of Chiral Dihydropyrimidones","Journal of Organic Chemistry","2007","72","","9998","10008","10.1021/jo701777g","","","0.71073","MoKα","","0.0455","0.0331","","","0.0785","0.0835","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023101","7.1077","0.0007","23.996","0.002","9.9653","0.0009","90","","105.838","0.002","90","","1635.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07197a","","","- C36 H44 N2 O3 Si -","- C36 H44 N2 O3 Si -","- C72 H88 N4 O6 Si2 -","2","1","","Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse","Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin","Journal of Organic Chemistry","2007","72","","9722","9731","10.1021/jo7017922","","","0.71073","MoKα","","0.0531","0.04","","","0.0859","0.0911","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023102","6.0607","0.0008","15.52","0.002","20.018","0.003","90","","90","","90","","1883","0.4","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cmc0546b","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse","Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin","Journal of Organic Chemistry","2007","72","","9722","9731","10.1021/jo7017922","","","0.49594","synchrotron","","0.0463","0.044","","","0.1211","0.1228","","","","","","1.128","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023103","9.8192","0.0006","9.8192","0.0006","24.526","0.003","90","","90","","120","","2047.9","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","07009a","","","- C13 H22 O3 -","- C13 H22 O3 -","- C78 H132 O18 -","6","1","","Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse","Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin","Journal of Organic Chemistry","2007","72","","9722","9731","10.1021/jo7017922","","","0.71073","MoKα","","0.0343","0.0312","","","0.0817","0.0836","","","","","","1.083","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023104","6.6268","0.0002","11.6519","0.0005","13.942","0.0006","90","","90","","90","","1076.53","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Total Synthesis of (+)-Acutiphycin","Journal of Organic Chemistry","2007","72","","9736","9745","10.1021/jo701821h","","","0.71073","MoKα","","0.0354","0.0343","","","0.0903","0.0921","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023105","11.609","0.0006","16.6719","0.0009","24.1579","0.0014","90","","90","","90","","4675.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 O8 Si -","- C47 H72 O8 Si -","- C188 H288 O32 Si4 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Total Synthesis of (+)-Acutiphycin","Journal of Organic Chemistry","2007","72","","9736","9745","10.1021/jo701821h","","","0.71073","MoKα","","0.0533","0.0464","","","0.1278","0.1352","","","","","","1.041","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023106","18.707","0.005","37.206","0.009","11.35","0.003","90","","90","","90","","7900","3","211","2","211","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H30 O -","- C25 H30 O -","- C400 H480 O16 -","16","1","","Steve Arns; Marie-Eve Lebrun; Christiane M. Grisé; Irina Denissova; Louis Barriault","Diastereoselective Construction of Quaternary Carbons Directed via Macrocyclic Ring Conformation: Formal Synthesis of (-)-Mesembrine","Journal of Organic Chemistry","2007","72","","9314","9322","10.1021/jo701833v","","","0.71073","MoKα","","0.0412","0.0376","","","0.0934","0.0954","","","","","","1.006","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023107","10.7576","0.0019","9.7166","0.0017","16.691","0.003","90","","91.551","0.003","90","","1744","0.5","209","2","209","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 O2 -","- C20 H25 O2 -","- C80 H100 O8 -","4","1","","Steve Arns; Marie-Eve Lebrun; Christiane M. Grisé; Irina Denissova; Louis Barriault","Diastereoselective Construction of Quaternary Carbons Directed via Macrocyclic Ring Conformation: Formal Synthesis of (-)-Mesembrine","Journal of Organic Chemistry","2007","72","","9314","9322","10.1021/jo701833v","","","0.71073","MoKα","","0.0713","0.0567","","","0.1598","0.1699","","","","","","1.049","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023108","9.3625","0.0006","15.8704","0.001","29.0242","0.0019","90","","90","","90","","4312.6","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H58 Mo N2 O4 -","- C44 H58 Mo N2 O4 -","- C176 H232 Mo4 N8 O16 -","4","1","","Hongwei Yang; Hongsong Wang; Chengjian Zhu","Enantioselective Pinacol Coupling of Aryl Aldehydes Catalyzed by Chiral Salan-Mo(IV) Complexes","Journal of Organic Chemistry","2007","72","","10029","10034","10.1021/jo701842r","","","0.71073","MoKα","","0.0743","0.0615","","","0.1267","0.1299","","","","","","1.027","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023109","7.553","0.001","10.746","0.002","13.435","0.002","90","","90","","90","","1090.4","0.25","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C40 H48 O16 S4 -","4","1","","Xiao-Ying Xu; Zhuo Tang; Yan-Zhao Wang; Shi-Wei Luo; Lin-Feng Cun; Liu-Zhu Gong","Asymmetric Organocatalytic Direct Aldol Reactions of Ketones with α-Keto Acids and Their Application to the Synthesis of 2-Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2007","72","","9905","9913","10.1021/jo701868t","","","0.71073","MoKα","","0.0478","0.0359","","","0.0826","0.086","","","","","","1.024","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023110","5.63","0.003","6.028","0.003","17.632","0.01","90","","92.56","0.002","90","","597.7","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","","Xiao-Ying Xu; Zhuo Tang; Yan-Zhao Wang; Shi-Wei Luo; Lin-Feng Cun; Liu-Zhu Gong","Asymmetric Organocatalytic Direct Aldol Reactions of Ketones with α-Keto Acids and Their Application to the Synthesis of 2-Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2007","72","","9905","9913","10.1021/jo701868t","","","0.71073","MoKα","","0.0425","0.0379","","","0.0974","0.1046","","","","","","0.52","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023111","4.6829","0.0017","9.907","0.004","25.146","0.009","90","","90","","90","","1166.6","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Xiang Zhou; Wen-Jun Liu; Jian-Liang Ye; Pei-Qiang Huang","Complementary Stereocontrolled Approaches to 2-Pyrrolidinones Bearing a Vicinal Amino Diol Subunit with Three Continuous Chiral Centers: A Formal Asymmetric Synthesis of (-)-Detoxinine","Journal of Organic Chemistry","2007","72","","8904","8909","10.1021/jo7018784","","","0.71073","MoKα","","0.0674","0.0627","","","0.1457","0.1486","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023112","12.749","0.003","7.451","0.002","13.531","0.002","90","","100.77","0.02","90","","1262.7","0.5","293.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Cl F3 N2 O4 -","- C26 H30 Cl F3 N2 O4 -","- C52 H60 Cl2 F6 N4 O8 -","2","1","","Denise Andersen; Thomas Storz; Pingli Liu; Xin Wang; Leping Li; Pingchen Fan; Xiaoqi Chen; Alan Allgeier; Alain Burgos; Jason Tedrow; Jean Baum; Ying Chen; Rich Crockett; Liang Huang; Rashid Syed; Robert D. Larsen; Mike Martinelli","Stereoselective Synthesis of a MCHr1 Antagonist","Journal of Organic Chemistry","2007","72","","9648","9655","10.1021/jo701894v","","","1.5418","CuKα","","","0.085","","","","0.257","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023113","9.0909","0.0003","10.0236","0.0004","19.1774","0.0008","90","","95.1256","0.0007","90","","1740.5","0.1","273.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Akio Baba","Diastereoselective Production of Homoallylic Alcohols Bearing Quaternary Centers from γ-Substituted Allylic Indiums and Ketones","Journal of Organic Chemistry","2007","72","","10264","10267","10.1021/jo701899j","","","0.7107","MoKα","","","0.125","","","","0.2265","","","","","","1.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023114","10.967","0.002","14.081","0.003","10.481","0.003","90.3","0.02","102.78","0.02","71.53","0.02","1493.6","0.7","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Srinivasarao Arulananda Babu; Makoto Yasuda; Akio Baba","Diastereoselective Production of Homoallylic Alcohols Bearing Quaternary Centers from γ-Substituted Allylic Indiums and Ketones","Journal of Organic Chemistry","2007","72","","10264","10267","10.1021/jo701899j","","","0.7107","MoKα","","","0.0559","","","","0.1692","","","","","","1.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023115","11.6","0.03","5.75","0.02","28.99","0.03","90","","100.8","0.2","90","","1900","8","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Akio Baba","Diastereoselective Production of Homoallylic Alcohols Bearing Quaternary Centers from γ-Substituted Allylic Indiums and Ketones","Journal of Organic Chemistry","2007","72","","10264","10267","10.1021/jo701899j","","","0.7107","MoKα","","","0.1446","","","","0.2888","","","","","","3.776","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023116","7.2837","0.0002","9.1986","0.0004","29.44","0.001","90","","91.581","0.002","90","","1971.7","0.1","273.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Akio Baba","Diastereoselective Production of Homoallylic Alcohols Bearing Quaternary Centers from γ-Substituted Allylic Indiums and Ketones","Journal of Organic Chemistry","2007","72","","10264","10267","10.1021/jo701899j","","","0.7107","MoKα","","","0.1513","","","","0.2826","","","","","","2.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023117","11.248","0.007","11.808","0.007","14.733","0.009","76.391","0.011","83.722","0.01","71.785","0.01","1805","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H35 F -","- C50 H35 F -","- C100 H70 F2 -","2","1","","Angshuman R. Choudhury; Deepak Chopra; Tayur N. Guru Row; Kuppuswamy Nagarajan; John D. Roberts","Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers","Journal of Organic Chemistry","2007","72","","9732","9735","10.1021/jo701900k","","","0.71073","MoKα","","0.1316","0.0608","","","0.1085","0.1313","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023118","11.1899","0.0016","11.7329","0.0017","13.374","0.002","70.931","0.003","82.481","0.003","70.186","0.002","1560.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 O -","- C44 H30 O -","- C88 H60 O2 -","2","1","","Angshuman R. Choudhury; Deepak Chopra; Tayur N. Guru Row; Kuppuswamy Nagarajan; John D. Roberts","Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers","Journal of Organic Chemistry","2007","72","","9732","9735","10.1021/jo701900k","","","0.71073","MoKα","","0.1162","0.0617","","","0.1299","0.1528","","","","","","1.025","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023119","9.295","0.004","13.104","0.005","13.543","0.006","95.98","0.007","104.223","0.006","91.859","0.007","1587.4","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 F2 -","- C44 H30 F2 -","- C88 H60 F4 -","2","1","","Angshuman R. Choudhury; Deepak Chopra; Tayur N. Guru Row; Kuppuswamy Nagarajan; John D. Roberts","Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers","Journal of Organic Chemistry","2007","72","","9732","9735","10.1021/jo701900k","","","0.71073","MoKα","","0.0804","0.064","","","0.2348","0.245","","","","","","1.123","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023120","11.297","0.002","11.788","0.002","13.35","0.003","71.565","0.003","85.639","0.004","69.7","0.003","1580.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 F2 -","- C44 H30 F2 -","- C88 H60 F4 -","2","1","","Angshuman R. Choudhury; Deepak Chopra; Tayur N. Guru Row; Kuppuswamy Nagarajan; John D. Roberts","Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers","Journal of Organic Chemistry","2007","72","","9732","9735","10.1021/jo701900k","","","0.71073","MoKα","","0.0999","0.068","","","0.1323","0.1445","","","","","","1.163","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023121","11.3057","0.0017","12.2798","0.0018","13.153","0.002","100.175","0.002","111.872","0.003","103.078","0.002","1580.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 O -","- C44 H30 O -","- C88 H60 O2 -","2","1","","Angshuman R. Choudhury; Deepak Chopra; Tayur N. Guru Row; Kuppuswamy Nagarajan; John D. Roberts","Chemistry of 1-Fluoro-2,3,4-triphenylcyclobutadiene Dimers","Journal of Organic Chemistry","2007","72","","9732","9735","10.1021/jo701900k","","","0.71073","MoKα","","0.1238","0.0795","","","0.1411","0.1572","","","","","","1.164","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023122","10.021","0.01","5.522","0.003","26.62","0.03","90","","101.39","0.06","90","","1444","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-Dimethylethyl rel-(2S,3R)-3-(2-phenylethyl)-2-aziridinecarboxylate","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0615","0.0524","","","0.138","0.1444","","","","","","1.096","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023123","6.2355","0.0002","12.8291","0.0006","10.4457","0.0004","90","","95.364","0.003","90","","831.95","0.06","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H13 N O2 S -","- C6 H13 N O2 S -","- C24 H52 N4 O8 S4 -","4","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0574","0.0338","","0.054","0.0421","0.0421","","","","","","1.0756","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023124","12.0205","0.0002","9.4","0.0002","12.7518","0.0003","90","","112.657","0.001","90","","1329.67","0.05","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","(2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine","","- C24 H46 N2 O4 S2 -","- C24 H46 N2 O4 S2 -","- C48 H92 N4 O8 S4 -","2","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0479","0.0347","","0.0475","0.0344","0.0344","","","","","","1.1186","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023125","10.2056","0.0002","10.8445","0.0002","27.121","0.0004","90","","90","","90","","3001.61","0.09","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 N2 O7 S2 -","- C27 H44 N2 O7 S2 -","- C108 H176 N8 O28 S8 -","4","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0794","0.0386","","0.0813","0.0416","0.0416","","","","","","1.0555","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023126","11.7827","0.0005","6.0089","0.0002","16.0233","0.0007","90","","91.4596","0.0014","90","","1134.1","0.08","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N-((1RS,2RS,5SR)-bicyclo[3.1.0]hexan-2-yl)-2-methylpropane-2-sulfonamide","","- C10 H19 N O2 S -","- C10 H19 N O2 S -","- C40 H76 N4 O8 S4 -","4","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0596","0.0575","","0.1666","0.1636","0.1666","","","","","","1.0606","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023127","22.0101","0.0006","6.2216","0.0002","9.5931","0.0003","90","","90","","90","","1313.66","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C12 H23 N O2 S -","- C12 H23 N O2 S -","- C48 H92 N4 O8 S4 -","4","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0425","0.03","","0.0458","0.0309","0.0309","","","","","","1.1147","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023128","9.3233","0.0001","12.3917","0.0001","13.5635","0.0001","71.724","0.001","88.535","0.001","85.606","0.001","1483.59","0.02","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H15 N7 -","- C16 H15 N7 -","- C64 H60 N28 -","4","2","","Brendan J. Liddle; James R. Gardinier","A Practical Synthesis of Tris(pyrazolyl)methylaryls","Journal of Organic Chemistry","2007","72","","9794","9797","10.1021/jo701924w","","","1.54178","CuKα","","0.0321","0.0302","","","0.0751","0.0765","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023129","8.4381","0.0001","11.6736","0.0001","15.5291","0.0002","90","","102.655","0.001","90","","1492.5","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N7 -","- C16 H15 N7 -","- C64 H60 N28 -","4","1","","Brendan J. Liddle; James R. Gardinier","A Practical Synthesis of Tris(pyrazolyl)methylaryls","Journal of Organic Chemistry","2007","72","","9794","9797","10.1021/jo701924w","","","1.54178","CuKα","","0.0301","0.0299","","","0.0764","0.0766","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023130","7.2161","0.0012","8.5279","0.0013","12.8078","0.0019","76.386","0.007","87.519","0.007","81.803","0.007","758.2","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Lian-Biao Zhao; Zheng-Hui Guan; Yao Han; Yong-Xin Xie; Sheng He; Yong-Min Liang","Copper-Catalyzed [4 + 1] Cycloadditions of α,β-Acetylenic Ketones with Diazoacetates to Form Trisubstituted Furans","Journal of Organic Chemistry","2007","72","","10276","10278","10.1021/jo7019465","","","0.71073","MoKα","","0.0577","0.0408","","","0.101","0.1128","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023131","14.559","0.003","8.4147","0.0015","15.738","0.003","90","","107.481","0.003","90","","1839","0.6","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H13 N3 S3 -","- C21 H13 N3 S3 -","- C84 H52 N12 S12 -","4","2","","Birdella D. Kenney; Michael Breslav; Rosie Chang; Roland Glaser; Bruce D. Harris; Cynthia A. Maryanoff; John Mills; Armin Roessler; Brigitte Segmuller; Frank J. Villani, Jr.","Methodology for the Preparation of 2-Argininylbenzothiazole","Journal of Organic Chemistry","2007","72","","9798","9801","10.1021/jo7019543","","","0.71073","MoKα","","0.0621","0.0519","","","0.1219","0.1268","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023132","13.194","0.007","7.575","0.003","9.979","0.002","90","","100.2","0.02","90","","981.6","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H10 O4 S2 -","- C7 H10 O4 S2 -","- C28 H40 O16 S8 -","4","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","x-ray","0.71069","MoKα","","0.0689","0.0397","","","0.0908","0.0996","","","","","","1.045","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023133","16.004","0.007","16.004","0.007","7.492","0.002","90","","90","","90","","1918.9","1.3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C7 H10 O4 S2 -","- C7 H10 O4 S2 -","- C56 H80 O32 S16 -","8","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","","0.71069","MoKα","","0.0615","0.0356","","","0.0775","0.0852","","","","","","1.003","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023134","6.051","0.006","23.735","0.002","10.436","0.003","90","","119.725","0.008","90","","1301.6","1.3","566","2","25","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O3 S2 -","- C12 H13 N O3 S2 -","- C48 H52 N4 O12 S8 -","4","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","x-ray","0.71073","MoKα","","0.0838","0.0445","","","0.0888","0.0998","","","","","","1.017","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023135","7.6835","0.0006","14.492","0.002","12.632","0.003","90","","105.505","0.008","90","","1355.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 S2 -","- C13 H15 N O3 S2 -","- C52 H60 N4 O12 S8 -","4","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","x-ray","0.71073","MoKα","","0.0468","0.031","","","0.0795","0.0847","","","","","","1.057","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023136","9.253","0.002","11.5508","0.0008","12.831","0.003","90","","90","","90","","1371.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S2 -","- C13 H15 N O3 S2 -","- C52 H60 N4 O12 S8 -","4","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","x-ray","0.71073","MoKα","","0.1106","0.0552","","","0.1006","0.1163","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023137","9.704","0.005","10.628","0.005","18.515","0.005","104.398","0.005","99.597","0.005","101.921","0.005","1761.1","1.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","2","","Stéphane Diring; Pascal Retailleau; Raymond Ziessel","A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway","Journal of Organic Chemistry","2007","72","","10181","10193","10.1021/jo7019866","","","0.71069","MoKα","","0.0788","0.0484","","","0.1242","0.1433","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023138","11.306","0.001","7.374","0.001","41.368","0.005","90","","92.87","0.002","90","","3444.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C184 H144 N16 -","8","2","","Stéphane Diring; Pascal Retailleau; Raymond Ziessel","A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway","Journal of Organic Chemistry","2007","72","","10181","10193","10.1021/jo7019866","","","0.7107","MoKα","","0.0813","0.0459","","","0.1068","0.133","","","","","","1.038","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023139","15.161","0.005","25.72","0.005","10.503","0.005","90","0.005","107.245","0.005","90","0.005","3911","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N4 -","- C44 H54 N4 -","- C176 H216 N16 -","4","1","","Stéphane Diring; Pascal Retailleau; Raymond Ziessel","A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway","Journal of Organic Chemistry","2007","72","","10181","10193","10.1021/jo7019866","","","0.71069","MoKα","","0.1214","0.083","","","0.2397","0.2815","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023140","8.169","0.001","12.543","0.002","14.364","0.002","90","","90","","90","","1471.9","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H10 Cl I N2 Pt -","- C16 H10 Cl I N2 Pt -","- C64 H40 Cl4 I4 N8 Pt4 -","4","1","","Stéphane Diring; Pascal Retailleau; Raymond Ziessel","A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway","Journal of Organic Chemistry","2007","72","","10181","10193","10.1021/jo7019866","","","0.7107","MoKα","","0.0513","0.0302","","","0.0725","0.0842","","","","","","1.091","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023141","22.19","0.002","16.363","0.001","13.666","0.001","90","","122.334","0.002","90","","4192.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 I N2 Pt -","- C25 H17 I N2 Pt -","- C200 H136 I8 N16 Pt8 -","8","1","","Stéphane Diring; Pascal Retailleau; Raymond Ziessel","A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway","Journal of Organic Chemistry","2007","72","","10181","10193","10.1021/jo7019866","","","0.7107","MoKα","","0.049","0.0323","","","0.0832","0.0887","","","","","","1.305","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023142","9.9888","0.0004","15.1872","0.0006","27.0849","0.0012","90","","100.294","0.001","90","","4042.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 S2 -","- C26 H16 N2 S2 -","- C208 H128 N16 S16 -","8","2","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0547","0.0446","","","0.1116","0.1194","","","","","","1.03","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023143","21.0801","0.0008","13.9059","0.0006","16.299","0.0006","90","","90","","90","","4777.9","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H20 N2 O4 S2 -","- C30 H20 N2 O4 S2 -","- C240 H160 N16 O32 S16 -","8","1","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0442","0.0382","","","0.0998","0.1051","","","","","","1.037","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023144","14.5625","0.0007","10.0487","0.0005","14.4914","0.0007","90","","114.652","0.001","90","","1927.31","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F2 N2 O -","- C25 H16 F2 N2 O -","- C100 H64 F8 N8 O4 -","4","1","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0464","0.0421","","","0.1155","0.1207","","","","","","1.028","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023145","26.0086","0.0009","8.1958","0.0003","19.5052","0.0007","90","","119.245","0.001","90","","3627.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N4 O4 -","- C46 H42 N4 O4 -","- C184 H168 N16 O16 -","4","0.5","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0489","0.045","","","0.1239","0.1286","","","","","","1.039","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023146","11.7138","0.0018","15.935","0.002","21.192","0.003","90","","101.38","0.003","90","","3877.9","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 Cl4 N4 -","- C48 H30 Cl4 N4 -","- C192 H120 Cl16 N16 -","4","0.5","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0414","0.0372","","","0.0974","0.1008","","","","","","1.047","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023147","19.1978","0.0005","19.1978","0.0005","22.0008","0.0012","90","","90","","90","","8108.5","0.5","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C51.41 H41.17 N4 O2 -","- C51.419 H41.181 N4 O2 -","- C411.352 H329.448 N32 O16 -","8","1","","Jean Bouffard; Robert F. Eaton; Peter Müller; Timothy M. Swager","Iptycene-Derived Pyridazines and Phthalazines","Journal of Organic Chemistry","2007","72","","10166","10180","10.1021/jo702000d","","","0.71073","MoKα","","0.0564","0.0467","","","0.1178","0.1251","","","","","","1.023","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023148","17.25","0.002","17.25","0.002","9.5313","0.0019","90","","90","","120","","2456.3","0.7","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C15 H18 Cl N O4 -","- C15 H18 Cl N O4 -","- C90 H108 Cl6 N6 O24 -","6","1","","Sanzhong Luo; Long Zhang; Xueling Mi; Yupu Qiao; Jin-Pei Cheng","Functionalized Chiral Ionic Liquid Catalyzed Enantioselective Desymmetrizations of Prochiral Ketones via Asymmetric Michael Addition Reaction","Journal of Organic Chemistry","2007","72","","9350","9352","10.1021/jo7020357","","","0.71073","MoKα","","0.14","0.0349","","","0.0569","0.0719","","","","","","0.549","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023149","10.5802","0.0003","32.2764","0.0008","7.6175","0.0002","90","","103.974","0.001","90","","2524.32","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe N O6 P -","- C28 H26 Fe N O6 P -","- C112 H104 Fe4 N4 O24 P4 -","4","1","","Tasneem A. Siddiquee; Julie M. Lukesh; Sergey Lindeman; William A. Donaldson","Synthesis of Cyclopropanes via Organoiron Methodology: Preparation of rac-Dysibetaine CPa","Journal of Organic Chemistry","2007","72","","9802","9803","10.1021/jo7020604","","","1.54178","CuKα","","0.0313","0.0304","","","0.0796","0.0802","","","","","","1.048","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023150","9.3258","0.0004","16.764","0.0011","15.4111","0.0008","90","","93.006","0.003","90","","2406","0.2","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C108 H108 N4 O20 -","4","1","","Avedis Karadeolian; Michael A. Kerr","Examination of Homo-[3 + 2]-Dipolar Cycloaddition: Mechanistic Insight into Regio- and Diastereoselectivity","Journal of Organic Chemistry","2007","72","","10251","10253","10.1021/jo702073w","","","0.71073","MoKα","","0.1757","0.0643","","","0.1763","0.2218","","","","","","0.943","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023151","15.482","0.0004","9.2541","0.0003","17.6066","0.0007","90","","96.144","0.002","90","","2508.04","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C112 H116 N4 O20 -","4","1","","Avedis Karadeolian; Michael A. Kerr","Examination of Homo-[3 + 2]-Dipolar Cycloaddition: Mechanistic Insight into Regio- and Diastereoselectivity","Journal of Organic Chemistry","2007","72","","10251","10253","10.1021/jo702073w","","","0.71073","MoKα","","0.098","0.0616","","","0.1508","0.17","","","","","","1.033","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023152","20.505","0.0008","12.7125","0.0004","19.7289","0.0006","90","","115.362","0.002","90","","4647.1","0.3","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C216 H216 N8 O40 -","8","2","","Avedis Karadeolian; Michael A. Kerr","Examination of Homo-[3 + 2]-Dipolar Cycloaddition: Mechanistic Insight into Regio- and Diastereoselectivity","Journal of Organic Chemistry","2007","72","","10251","10253","10.1021/jo702073w","","","0.71073","MoKα","","0.125","0.0562","","","0.1545","0.1826","","","","","","1.052","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023153","10.5658","0.0007","11.1733","0.0004","11.7745","0.0006","69.202","0.003","75.052","0.002","74.595","0.003","1231.95","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C56 H58 N2 O10 -","2","1","","Avedis Karadeolian; Michael A. Kerr","Examination of Homo-[3 + 2]-Dipolar Cycloaddition: Mechanistic Insight into Regio- and Diastereoselectivity","Journal of Organic Chemistry","2007","72","","10251","10253","10.1021/jo702073w","","","0.71073","MoKα","","0.0979","0.0552","","","0.1392","0.1599","","","","","","1.062","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023154","7.196","0.002","18.705","0.003","10.344","0.002","90","","108.95","0.017","90","","1316.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O S5 -","- C10 H10 O S5 -","- C40 H40 O4 S20 -","4","1","","Takahiro Tsuchiya; Yosuke Okada; Toshio Shimizu; Kazunori Hirabayashi; Nobumasa Kamigata","Molecular Transformations of Unsaturated Thiacrown Ethers","Journal of Organic Chemistry","2008","73","","76","80","10.1021/jo701757s","","","0.71069","MoKα","","0.0449","0.0353","","","0.0947","0.0957","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023155","9.133","0.006","17.525","0.012","25.441","0.012","90","","90","","90","","4072","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O S7 -","- C14 H14 O S7 -","- C112 H112 O8 S56 -","8","1","","Takahiro Tsuchiya; Yosuke Okada; Toshio Shimizu; Kazunori Hirabayashi; Nobumasa Kamigata","Molecular Transformations of Unsaturated Thiacrown Ethers","Journal of Organic Chemistry","2008","73","","76","80","10.1021/jo701757s","","","0.71075","MoKα","","0.0603","0.0502","","","0.132","0.1442","","","","","","1.05","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023156","9.121","","9.651","","18.764","","100.96","","101.06","","100.08","","1552.6","","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C12 H12 S6 -","- C12 H12 S6 -","- C48 H48 S24 -","4","4","","Takahiro Tsuchiya; Yosuke Okada; Toshio Shimizu; Kazunori Hirabayashi; Nobumasa Kamigata","Molecular Transformations of Unsaturated Thiacrown Ethers","Journal of Organic Chemistry","2008","73","","76","80","10.1021/jo701757s","","","0.71075","MoKα","","0.0403","0.036","","","0.0786","0.0803","","","","","","1.088","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4023157","11.025","0.003","11.127","0.002","18.89","0.004","97.196","0.012","94.448","0.013","118.116","0.008","2002.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O2 S6 -","- C14 H18 O2 S6 -","- C56 H72 O8 S24 -","4","2","","Takahiro Tsuchiya; Yosuke Okada; Toshio Shimizu; Kazunori Hirabayashi; Nobumasa Kamigata","Molecular Transformations of Unsaturated Thiacrown Ethers","Journal of Organic Chemistry","2008","73","","76","80","10.1021/jo701757s","","","0.71075","MoKα","","0.0899","0.0619","","","0.151","0.1661","","","","","","1.065","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4023158","10.523","0.007","12.722","0.008","10.611","0.007","90","","95.168","0.009","90","","1414","1","173.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 B N -","- C7 H10 B N -","- C56 H80 B8 N8 -","8","2","","Shigeharu Wakabayashi; Saori Imamura; Yoshikazu Sugihara; Makoto Shimizu; Toshikazu Kitagawa; Yasuhiro Ohki; Kazuyuki Tatsumi","3-(Dimethylboryl)pyridine: Synthesis, Structure, and Remarkable Steric Effects in Scrambling Reactions","Journal of Organic Chemistry","2008","73","","81","87","10.1021/jo7018043","","","0.7107","MoKα","","","0.0631","","","","0.0641","","","","","","1.453","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023159","12.636","0.002","6.4982","0.0011","15.649","0.003","90","","107.573","0.003","90","","1225","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 Si -","- C12 H16 O3 Si -","- C48 H64 O12 Si4 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.0522","0.0415","","","0.1003","0.1052","","","","","","0.98","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023160","21.4178","0.0017","29.654","0.002","6.4401","0.0005","90","","91.594","0.002","90","","4088.7","0.6","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 Si -","- C13 H19 N O2 Si -","- C156 H228 N12 O24 Si12 -","12","3","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.0887","0.0656","","","0.1415","0.1521","","","","","","1.092","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023161","6.5558","0.001","10.9677","0.0018","19.259","0.003","75.35","0.003","87.19","0.004","89.44","0.003","1338.1","0.4","130","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 O2 Si -","- C13.104 H17.104 O2 Si -","- C52.416 H68.416 O8 Si4 -","4","2","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.169","0.1233","","","0.3194","0.358","","","","","","1.059","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023162","12.1591","0.0013","10.3998","0.0011","6.8354","0.0008","90","","104.382","0.002","90","","837.26","0.16","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.0498","0.0481","","","0.121","0.1226","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023163","5.36","0.0012","6.9759","0.0015","18.844","0.004","90","","90","","90","","704.6","0.3","130","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.044","0.0407","","","0.0977","0.0998","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023164","6.6227","0.0003","15.9098","0.0008","7.7878","0.0004","90","","98.204","0.001","90","","812.17","0.07","130","2","403","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.0512","0.0493","","","0.1355","0.1371","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023165","12.9303","0.0015","6.3374","0.0008","15.7708","0.0019","90","","107.937","0.002","90","","1229.5","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 Si -","- C12 H18 O3 Si -","- C48 H72 O12 Si4 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.0506","0.0395","","","0.0933","0.0972","","","","","","0.972","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023166","10.448","0.003","6.5388","0.0015","10.263","0.002","90","","90","","90","","701.1","0.3","130","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.043","0.0414","","","0.097","0.0979","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023167","25.166","0.006","5.3338","0.0013","13.99","0.004","90","","117.184","0.004","90","","1670.4","0.7","130","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 O5 -","- C9 H8 O5 -","- C72 H64 O40 -","8","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.0695","0.0467","","","0.1006","0.1072","","","","","","0.907","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023168","8.8817","0.0008","8.1183","0.0007","17.2401","0.0015","90","","98.569","0.002","90","","1229.21","0.19","130","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N O6 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.0524","0.047","","","0.1195","0.1228","","","","","","1.042","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023169","11.485","0.002","10.303","0.002","13.401","0.003","90","","108.675","0.002","90","","1502.3","0.5","571","2","571","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Cl N2 O S -","- C16 H15 Cl N2 O S -","- C64 H60 Cl4 N8 O4 S4 -","4","1","","Timothy A. Cernak; James L. Gleason","Density Functional Theory Guided Design of Exo-Selective Dehydroalanine Dienophiles for Application Toward the Synthesis of Palau'amine","Journal of Organic Chemistry","2008","73","","102","110","10.1021/jo701866g","","","0.71073","MoKα","","0.0989","0.0547","","","0.1208","0.1454","","","","","","1.051","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023170","13.038","0.003","14.627","0.003","16.662","0.006","105.818","0.004","99.498","0.004","114.094","0.002","2649.2","1.3","90","","90","","","","","","","","","5","P 1","P 1","1","Tri(1S)-(+)-10-CSA Salt","","","- C102 H134 N4 O16 S4 -","- C102 H122 N4 O16 S4 -","- C102 H122 N4 O16 S4 -","1","1","","Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa","Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate","Journal of Organic Chemistry","2008","73","","133","141","10.1021/jo701923z","","","0.71073","MoKα","","0.0598","0.0481","","","0.1146","0.1207","","","","","","1.07","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023171","8.1113","0.0012","14.058","0.002","21.632","0.003","90","","90","","90","","2466.7","0.7","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 O -","- C28 H33 N3 O -","- C112 H132 N12 O4 -","4","1","","Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa","Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate","Journal of Organic Chemistry","2008","73","","133","141","10.1021/jo701923z","","","0.71073","MoKα","","0.0714","0.0537","","","0.1368","0.1521","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023172","27.759","0.004","7.6628","0.001","10.4877","0.0014","90","","90","","90","","2230.9","0.5","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C104 H116 N12 O4 -","4","1","","Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa","Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate","Journal of Organic Chemistry","2008","73","","133","141","10.1021/jo701923z","","","0.71073","MoKα","","0.0725","0.0468","","","0.118","0.1355","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023173","10.9164","0.001","19.4699","0.001","12.785","0.003","90","","110.518","0.01","90","","2545","0.7","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C96 H120 N40 O16 -","8","2","","G. B. W. L. Ligthart; Dawei Guo; A. L. Spek; Huub Kooijman; Han Zuilhof; Rint P. Sijbesma","Ureidobenzotriazine Multiple H-Bonding Arrays: The Importance of Geometrical Details on the Stability of H-Bonds","Journal of Organic Chemistry","2008","73","","111","117","10.1021/jo7019338","","x-ray","0.71073","MoKα","","0.0649","0.0409","","","0.1002","0.1128","","","","","","1.032","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023174","7.495","0.0015","8.1766","0.0016","12.237","0.002","97.02","0.03","98.63","0.03","109.63","0.03","686.3","0.2","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H35 Fe N O5 -","- C31 H35 Fe N O5 -","- C31 H35 Fe N O5 -","1","1","","Min-Can Wang; Qing-Jian Zhang; Wen-Xian Zhao; Xiao-Dan Wang; Xue Ding; Tao-Tao Jing; Mao-Ping Song","Evaluation of Enantiopure N-(Ferrocenylmethyl)azetidin-2-yl(diphenyl)methanol for Catalytic Asymmetric Addition of Organozinc Reagents to Aldehydes","Journal of Organic Chemistry","2008","73","","168","176","10.1021/jo701943x","","","0.71073","MoKα","","0.0381","0.0341","","","0.0797","0.0824","","","","","","1.015","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023175","7.363","0.004","13.529","0.006","7.998","0.001","90","","117.33","0.01","90","","707.8","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H I2 N S -","- C3 H I2 N S -","- C12 H4 I8 N4 S4 -","4","1","","Jean-Martial L'Helgoual'ch; Anne Seggio; Floris Chevallier; Mitsuhiro Yonehara; Erwann Jeanneau; Masanobu Uchiyama; Florence Mongin","Deprotonative Metalation of Five-Membered Aromatic Heterocycles Using Mixed Lithium-Zinc Species","Journal of Organic Chemistry","2008","73","","177","183","10.1021/jo7020345","","","0.71069","MoKα","","0.0796","0.0585","","0.0835","0.0673","0.0637","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023176","8.066","0.0009","28.263","0.002","5.5141","0.0007","90","","90","","90","","1257","0.2","198.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O -","- C15 H15 Cl O -","- C60 H60 Cl4 O4 -","4","1","","Ram Shanker Singh; Shinya Adachi; Fumi Tanaka; Toyonao Yamauchi; Chieko Inui; Toshiro Harada","Oxazaborolidinone-Catalyzed Enantioselective Diels-Alder Reaction of Acyclic α,β-Unsaturated Ketones","Journal of Organic Chemistry","2008","73","","212","218","10.1021/jo702043g","","","1.54178","CuKα","","","0.0384","","","","0.1024","","","","","","0.523","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023177","7.5146","0.0015","8.3627","0.0016","20.76","0.004","90","","99.188","0.004","90","","1287.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Zhijian Liu; Feng Shi; Pablo D. G. Martínez; Cristiano Raminelli; Richard C. Larock","Synthesis of Indazoles by the [3+2] Cycloaddition of Diazo Compounds with Arynes and Subsequent Acyl Migration","Journal of Organic Chemistry","2008","73","","219","226","10.1021/jo702062n","","","0.71073","MoKα","","0.0793","0.0509","","","0.1411","0.1622","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023178","5.214","0.003","6.055","0.003","19.48","0.01","90","","93.31","0.02","90","","614","0.5","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C24 H30 N2 O12 -","2","1","","Kazuteru Usui; Mariko Aso; Mitsuhiro Fukuda; Hiroshi Suemune","Photochemical Generation of Oligodeoxynucleotide Containing a C4'-Oxidized Abasic Site and Its Efficient Amine Modification: Dependence on Structure and Microenvironment","Journal of Organic Chemistry","2008","73","","241","248","10.1021/jo702080r","","","0.7107","MoKα","","","0.034","","","","0.084","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023179","14.6892","0.0011","12.4535","0.0008","18.4788","0.0012","90","","111.964","0.002","90","","3135","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 N4 O3 -","- C38 H36 N4 O3 -","- C152 H144 N16 O12 -","4","1","","Mateo Alajarín; Baltasar Bonillo; Ángel Vidal; Delia Bautista","Bis(heterocumulenes) Derived from the 1,4-Diphenyl-1,3-butadiyne Framework. Synthesis of Three New Classes of Axially Chiral Biheteroaryls","Journal of Organic Chemistry","2008","73","","291","294","10.1021/jo7021058","","","0.71073","MoKα","","0.1047","0.062","","","0.1102","0.1239","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023180","7.9537","0.0005","23.4956","0.0014","19.4769","0.0011","90","","95.963","0.002","90","","3620.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 Cl2 N4 O -","- C47 H34 Cl2 N4 O -","- C188 H136 Cl8 N16 O4 -","4","1","","Mateo Alajarín; Baltasar Bonillo; Ángel Vidal; Delia Bautista","Bis(heterocumulenes) Derived from the 1,4-Diphenyl-1,3-butadiyne Framework. Synthesis of Three New Classes of Axially Chiral Biheteroaryls","Journal of Organic Chemistry","2008","73","","291","294","10.1021/jo7021058","","","0.71073","MoKα","","0.0895","0.0763","","","0.1838","0.1898","","","","","","1.129","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023181","31.732","0.001","8.9278","0.0003","14.0998","0.0005","90","","90.76","0.002","90","","3994.1","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O7 -","- C22 H20 O7 -","- C176 H160 O56 -","8","1","","Yann Bourdreux; Stéphanie Nowaczyk; Célia Billaud; Aurélie Mallinger; Catherine Willis; Marine Desage-El Murr; Loïc Toupet; Claude Lion; Thierry Le Gall; Charles Mioskowski","Total Synthesis of Norbadione A","Journal of Organic Chemistry","2008","73","","22","26","10.1021/jo702106u","","","0.71069","MoKα","","0.0981","0.061","","","0.164","0.1931","","","","","","1.03","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4023182","14.302","0.003","15.142","0.003","17.101","0.003","97.53","0.03","101.25","0.03","90.66","0.03","3598.3","1.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F6 I O6 -","- C11 H5 F6 I O6 -","- C110 H50 F60 I10 O60 -","10","5","","Mekhman S. Yusubov; Tatyana V. Funk; Ki-Whan Chi; Eun-Hye Cha; Ghyung Hwa Kim; Andreas Kirschning; Viktor V. Zhdankin","Preparation and X-ray Structures of 3-[Bis(trifluoroacetoxy)iodo]benzoic Acid and 3-[Hydroxy(tosyloxy)iodo]benzoic Acid: New Recyclable Hypervalent Iodine Reagents","Journal of Organic Chemistry","2008","73","","295","297","10.1021/jo702112s","","","0.8","synchrotronradiation","","0.1095","0.0751","","","0.2529","0.2888","","","","","","0.721","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023183","17.534","0.003","12.134","0.002","7.166","0.0014","90","","99.15","0.03","90","","1505.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I O6 S -","- C14 H13 I O6 S -","- C56 H52 I4 O24 S4 -","4","1","","Mekhman S. Yusubov; Tatyana V. Funk; Ki-Whan Chi; Eun-Hye Cha; Ghyung Hwa Kim; Andreas Kirschning; Viktor V. Zhdankin","Preparation and X-ray Structures of 3-[Bis(trifluoroacetoxy)iodo]benzoic Acid and 3-[Hydroxy(tosyloxy)iodo]benzoic Acid: New Recyclable Hypervalent Iodine Reagents","Journal of Organic Chemistry","2008","73","","295","297","10.1021/jo702112s","","","0.8","synchrotronradiation","","0.0479","0.0476","","","0.1327","0.1332","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023184","12.4762","0.0015","6.1157","0.0008","19.823","0.003","90","","103.667","0.002","90","","1469.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Pinhong Chen; Junhua Wang; Kun Liu; Chaozhong Li","Synthesis and Structural Revision of (\±)-Laurentristich-4-ol","Journal of Organic Chemistry","2008","73","","339","341","10.1021/jo7021247","","","0.71073","MoKα","","0.1257","0.0967","","","0.2966","0.3243","","","","","","1.12","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023185","12.702","0.003","6.0228","0.0013","20.158","0.004","90","","104.289","0.004","90","","1494.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Pinhong Chen; Junhua Wang; Kun Liu; Chaozhong Li","Synthesis and Structural Revision of (\±)-Laurentristich-4-ol","Journal of Organic Chemistry","2008","73","","339","341","10.1021/jo7021247","","","0.71073","MoKα","","0.148","0.07","","","0.1864","0.2195","","","","","","0.873","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023186","21.3273","0.0007","14.6197","0.0005","20.8649","0.0007","90","","119.045","0.001","90","","5687.5","0.3","137","2","137","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 N4 -","- C68 H76 N4 -","- C272 H304 N16 -","4","1","","Matthew Vale; Maren Pink; Suchada Rajca; Andrzej Rajca","Synthesis, Structure, and Conformation of Aza[1~n~]metacyclophanes","Journal of Organic Chemistry","2008","73","","27","35","10.1021/jo702151n","","","0.71073","MoKα","","0.0682","0.0411","","","0.0898","0.1039","","","","","","1.017","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023187","15.9429","0.0007","16.1959","0.0007","16.0036","0.0007","90","","117.926","0.001","90","","3651.1","0.3","137","2","137","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H56 N4 O -","- C41 H56 N4 O -","- C164 H224 N16 O4 -","4","1","","Matthew Vale; Maren Pink; Suchada Rajca; Andrzej Rajca","Synthesis, Structure, and Conformation of Aza[1~n~]metacyclophanes","Journal of Organic Chemistry","2008","73","","27","35","10.1021/jo702151n","","","0.71073","MoKα","","0.0562","0.0441","","","0.1137","0.1248","","","","","","1.018","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023188","10.5896","0.0004","13.7649","0.0005","16.4623","0.0009","65.295","0.001","88.796","0.001","74.881","0.001","2093.91","0.16","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C102 H114 N6 -","- C102 H114 N6 -","- C102 H114 N6 -","1","0.5","","Matthew Vale; Maren Pink; Suchada Rajca; Andrzej Rajca","Synthesis, Structure, and Conformation of Aza[1~n~]metacyclophanes","Journal of Organic Chemistry","2008","73","","27","35","10.1021/jo702151n","","","0.71073","MoKα","","0.0705","0.042","","","0.0932","0.1063","","","","","","1.009","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023189","13.2554","0.0013","13.9695","0.0014","19.4184","0.0019","87.48","0.003","85.16","0.002","81.579","0.002","3542.5","0.6","136","2","136","2","","","","","","","","3","P -1","-P 1","2","","","","- C170 H190 N10 -","- C170 H190 N10 -","- C170 H190 N10 -","1","0.5","","Matthew Vale; Maren Pink; Suchada Rajca; Andrzej Rajca","Synthesis, Structure, and Conformation of Aza[1~n~]metacyclophanes","Journal of Organic Chemistry","2008","73","","27","35","10.1021/jo702151n","","","0.71073","MoKα","","0.1178","0.0606","","","0.1405","0.1652","","","","","","1.019","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023190","10.6543","0.0002","11.9382","0.0002","9.1044","0.0002","90","","90","","90","","1158.02","0.04","150","2","150","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","","","- C15 H14 N2 -","- C15 H14 N2 -","- C60 H56 N8 -","4","0.5","","Zhiqing Yan; Troy McCracken; Shijing Xia; Veselin Maslak; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjič","Supramolecular Catalysis at Work: Diastereoselective Synthesis of a Molecular Bowl with Dynamic Inner Space","Journal of Organic Chemistry","2008","73","","355","363","10.1021/jo701538g","","x-ray","0.71073","MoKα","","0.0689","0.0415","","","0.099","0.111","","","","","","1.049","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023191","17.6837","0.0002","20.8217","0.0002","19.9034","0.0002","90","","90","","90","","7328.53","0.13","150","2","150","2","","","","","","","synthesis as described","4","P b c m","-P 2c 2b","57","Badjic 1579","","","- C39 H30 N6 O3 -","- C39 H30 N6 O3 -","- C312 H240 N48 O24 -","8","1","","Zhiqing Yan; Troy McCracken; Shijing Xia; Veselin Maslak; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjič","Supramolecular Catalysis at Work: Diastereoselective Synthesis of a Molecular Bowl with Dynamic Inner Space","Journal of Organic Chemistry","2008","73","","355","363","10.1021/jo701538g","","x-ray","0.71073","MoKα","","0.0989","0.0583","","","0.1599","0.175","","","","","","1.066","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023192","6.7838","0.0003","5.0683","0.0002","20.4498","0.0009","90","","94.454","0.002","90","","700.99","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Jennifer E. Davoren; Christian Harcken; Stephen F. Martin","Studies toward the Enantioselective Syntheses of Oxylipins: Total Synthesis and Structure Revision of Solandelactone E","Journal of Organic Chemistry","2008","73","","391","402","10.1021/jo701739v","","","0.71073","MoKα","","0.1403","0.0573","","","0.1073","0.1301","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023193","9.617","0.0006","7.29","0.0002","23.937","0.001","90","","93.455","0.002","90","","1675.1","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C76 H72 N8 O8 S4 -","4","1","","Christian Roussel; Nicolas Vanthuyne; Mohamed Bouchekara; Ayada Djafri; José Elguero; Ibon Alkorta","Atropisomerism in the 2-Arylimino-N-(2-hydroxyphenyl)thiazoline Series: Influence of Hydrogen Bonding on the Racemization Process","Journal of Organic Chemistry","2008","73","","403","411","10.1021/jo701756u","","","0.71073","MoKα","","0.0576","0.0437","","","0.1266","0.1495","","","","","","1.181","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023194","7.2974","0.0014","15.2206","0.0013","11.3294","0.0013","90","","103.27","0.011","90","","1224.8","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2',2',5',5'-tetramethyl-1'-oxyl-4,5,2',5'-tetrahydro-3H,1'H- [1,4']biimidazolyl-2-thione","","- C10 H17 N4 O S -","- C10 H17 N4 O S -","- C40 H68 N16 O4 S4 -","4","1","","Julya F. Polienko; Thomas Schanding; Yury V. Gatilov; Igor A. Grigor'ev; Maxim A. Voinov","Studies toward the Synthesis of 4-(2-R-ethyl)amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls. Nucleophilic Substitution of Bromide in the N-Alkyl Chain of the 1,2,4-Oxadiazol-2-one Precursor","Journal of Organic Chemistry","2008","73","","502","510","10.1021/jo701803a","","","0.71073","MoKα","","0.0428","0.0406","","","0.1063","0.1083","","","","","","1.069","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023195","11.3743","0.0016","8.1662","0.0008","12.5872","0.0018","90","","92.705","0.012","90","","1167.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Cyclohexyl-(3,2',2',5',5'-pentamethyl-1'-oxyl-4,5,2',5'- tetrahydro-3H,1'H-[1,4']biimidazolyl-2-ylidene)-ammonium methyl sulfate","","- C18 H34 N5 O5 S -","- C18 H34 N5 O5.0004 S -","- C36 H68 N10 O10.0008 S2 -","2","1","","Julya F. Polienko; Thomas Schanding; Yury V. Gatilov; Igor A. Grigor'ev; Maxim A. Voinov","Studies toward the Synthesis of 4-(2-R-ethyl)amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls. Nucleophilic Substitution of Bromide in the N-Alkyl Chain of the 1,2,4-Oxadiazol-2-one Precursor","Journal of Organic Chemistry","2008","73","","502","510","10.1021/jo701803a","","","0.71073","MoKα","","0.1118","0.0726","","","0.2239","0.2734","","","","","","1.015","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023196","9.005","0.005","14.836","0.008","14.242","0.008","90","","91.149","0.009","90","","1902.2","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8,9-Dibenzoylhexahydro-3a,6-ethano-inden-5-one","","- C25 H24 O3 -","- C25 H24 O3 -","- C100 H96 O12 -","4","1","","Saswati Lahiri; Somnath Yadav; Srirupa Banerjee; Mahendra P. Patil; Raghavan B. Sunoj","Face-Selective Diels-Alder Reactions between Unsymmetrical Cyclohexadienes and Symmetric trans-Dienophile: An Experimental and Computational Investigation","Journal of Organic Chemistry","2008","73","","435","444","10.1021/jo701884d","","","0.71073","MoKα","","0.0513","0.0419","","","0.1153","0.1222","","","","","","0.989","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023197","9.9338","0.0012","19.615","0.003","13.5253","0.0017","90","","101.726","0.002","90","","2580.5","0.6","198","2","198","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 N6 -","- C60 H78 N6 -","- C120 H156 N12 -","2","0.5","","Zhenfu Han; Thomas P. Vaid; Arnold L. Rheingold","Hexakis(4-(N-butylpyridylium))benzene: A Six-Electron Organic Redox System","Journal of Organic Chemistry","2008","73","","445","450","10.1021/jo701944c","","","0.71073","MoKα","","0.0633","0.0498","","","0.1159","0.1232","","","","","","1.045","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023198","7.394","0.004","10.764","0.019","10.8","0.005","90","","99.71","0.04","90","","847.2","1.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2S,5S)-4-Benzyl-5-hydroxymethyl-3,6-dioxo-piperazin-2-yl]-acetic acid allyl ester","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C34 H40 N4 O10 -","2","1","","Ana Sofia M. Ressurreição; Andrea Bordessa; Monica Civera; Laura Belvisi; Cesare Gennari; Umberto Piarulli","Synthesis and Conformational Studies of Peptidomimetics Containing a New Bifunctional Diketopiperazine Scaffold Acting as a β-Hairpin Inducer","Journal of Organic Chemistry","2008","73","","652","660","10.1021/jo702072z","","","0.71073","MoKα","","0.0869","0.0541","","","0.1348","0.1553","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023199","10.555","0.004","10.555","","14.647","0.009","90","","90","","90","","1631.8","1.2","295","2","295","2","","","","","","","","5","P 43","P 4cw","78","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C72 H64 Br4 N4 O8 -","4","1","","Deju Shang; Junguo Xin; Yanling Liu; Xin Zhou; Xiaohua Liu; Xiaoming Feng","Enantioselective Aza-Diels-Alder Reaction of Aldimines with ""Danishefsky-Type Diene"" Catalyzed by Chiral Scandium(III)-N,N'-Dioxide Complexes","Journal of Organic Chemistry","2008","73","","630","637","10.1021/jo7021263","","","0.71073","MoKα","","0.1165","0.0378","","","0.0752","0.0918","","","","","","0.929","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023200","8.1368","0.0009","15.1887","0.0017","12.7747","0.0014","90","","103.075","0.002","90","","1537.9","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H18 O3 S2 -","- C15 H18 O3 S2 -","- C60 H72 O12 S8 -","4","1","","Marino J. E. Resendiz; Jennifer Taing; Saeed I. Khan; Miguel A. García-Garibay","Unexpected Solid-State Photochemistry of an α-Thiophenyl-α'-Thiophenyl-S,S-dioxo-Substituted Ketone","Journal of Organic Chemistry","2008","73","","638","643","10.1021/jo702127g","","","0.71073","MoKα","","0.0417","0.037","","","0.0997","0.1027","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023201","8.707","0.0007","26.568","0.002","7.4528","0.0006","90","","116.506","0.001","90","","1542.8","0.2","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H18 O5 S2 -","- C15 H18 O5 S2 -","- C60 H72 O20 S8 -","4","1","","Marino J. E. Resendiz; Jennifer Taing; Saeed I. Khan; Miguel A. García-Garibay","Unexpected Solid-State Photochemistry of an α-Thiophenyl-α'-Thiophenyl-S,S-dioxo-Substituted Ketone","Journal of Organic Chemistry","2008","73","","638","643","10.1021/jo702127g","","","0.71073","MoKα","","0.0249","0.0244","","","0.0676","0.0679","","","","","","1.081","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023202","8.253","0.003","13.319","0.005","13.795","0.005","90","","91.666","0.006","90","","1515.7","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O3 S2 -","- C15 H18 O3 S2 -","- C60 H72 O12 S8 -","4","1","","Marino J. E. Resendiz; Jennifer Taing; Saeed I. Khan; Miguel A. García-Garibay","Unexpected Solid-State Photochemistry of an α-Thiophenyl-α'-Thiophenyl-S,S-dioxo-Substituted Ketone","Journal of Organic Chemistry","2008","73","","638","643","10.1021/jo702127g","","","0.71073","MoKα","","0.1491","0.07","","","0.1702","0.2176","","","","","","0.955","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023203","7.9972","0.0012","9.8137","0.0017","24.997","0.004","90","","90","","90","","1961.8","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O8 -","- C19 H23 N O8 -","- C76 H92 N4 O32 -","4","1","","Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios; Esther M. S. Pérez","Chiral N-Acyloxazolidines: Synthesis, Structure, and Mechanistic Insights","Journal of Organic Chemistry","2008","73","","661","672","10.1021/jo702149m","","","0.71073","MoKα","","0.0555","0.0379","","","0.0871","0.0934","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023204","12.1044","0.0002","17.1143","0.0002","17.3659","0.0002","90","","93.019","0.001","90","","3592.5","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 Cl3 N2 Pd -","- C39 H36 Cl3 N2 Pd -","- C156 H144 Cl12 N8 Pd4 -","4","2","","Liang Xu; Yian Shi","Chiral N-Heterocyclic Carbene-Pd(0)-Catalyzed Asymmetric Diamination of Conjugated Dienes and Triene","Journal of Organic Chemistry","2008","73","","749","751","10.1021/jo702167u","","","0.71073","MoKα","","0.1163","0.0616","","","0.1425","0.1754","","","","","","0.934","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023205","12.9","0.02","13.45","0.03","18.47","0.03","90","","101.69","0.06","90","","3139","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9-(C6F5CH2)-1-(MOM)-4-(4-IC6H4CO2)triptycene","","","- C37 H24 Cl2 F5 I O4 -","- C37 H24 Cl2 F5 I O4 -","- C148 H96 Cl8 F20 I4 O16 -","4","1","","Benjamin W. Gung; Yan Zou; Zhigang Xu; Jay C. Amicangelo; Daniel G. Irwin; Shengqian Ma; Hong-Cai Zhou","Quantitative Study of Interactions between Oxygen Lone Pair and Aromatic Rings: Substituent Effect and the Importance of Closeness of Contact","Journal of Organic Chemistry","2008","73","","689","693","10.1021/jo702170j","","","0.71073","MoKα","","0.1326","0.0966","","","0.2677","0.3468","","","","","","1.337","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023206","16.6403","0.0016","13.4738","0.0013","25.472","0.003","90","","95.429","0.002","90","","5685.4","1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 2H+","(3S*,5R*,7aR*,9aS*)-3,5-di(4-methoxyphenyl)perhydrocyclopenta[ij] quinolizine trifluoroacetate","","- C56 H66 Cl6 F6 N2 O8 -","- C56 H66 Cl6 F6 N2 O8 -","- C224 H264 Cl24 F24 N8 O32 -","4","1","","Lodovico Lunazzi; Andrea Mazzanti; Shaik Rafi; H. Surya Prakash Rao","Chair to Boat Interconversion and Face to Face Interactions in Isomeric Aryl-Substituted Perhydrocyclopentaquinolizines","Journal of Organic Chemistry","2008","73","","678","688","10.1021/jo702172u","","","0.71073","MoKα","","0.0904","0.0634","","","0.1957","0.21","","","","","","1.104","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023207","11.3651","0.001","16.3126","0.0014","17.2329","0.0015","110.303","0.001","98.652","0.001","107.659","0.001","2735.8","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","compound 2-H+","(3R*,5S*,7aR*,9aS*)-3,5-di(4-methoxyphenyl)perhydrocyclopenta[ij] quinolizine trifluoroacetate","","- C56 H65 F9 N2 O10 -","- C56 H65 F9 N2 O10 -","- C112 H130 F18 N4 O20 -","2","1","","Lodovico Lunazzi; Andrea Mazzanti; Shaik Rafi; H. Surya Prakash Rao","Chair to Boat Interconversion and Face to Face Interactions in Isomeric Aryl-Substituted Perhydrocyclopentaquinolizines","Journal of Organic Chemistry","2008","73","","678","688","10.1021/jo702172u","","","0.71073","MoKα","","0.1354","0.0707","","","0.2","0.2462","","","","","","1.039","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023208","19.704","0.004","7.803","0.0016","23.704","0.005","90","","107.08","0.03","90","","3483.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Br N O5 S -","- C39 H40 Br N O5 S -","- C156 H160 Br4 N4 O20 S4 -","4","1","","Hanfeng Ding; Yiping Zhang; Ming Bian; Weijun Yao; Cheng Ma","Concise Assembly of Highly Substituted Furan-Fused 1,4-Thiazepines and Their Diels-Alder Reactions with Benzynes","Journal of Organic Chemistry","2008","73","","578","584","10.1021/jo702299m","","","0.71073","MoKα","","0.1259","0.0577","","","0.0969","0.1156","","","","","","1.01","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023209","12.279","0.003","12.718","0.003","14.379","0.003","90","","114.19","0.03","90","","2048.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C88 H80 N8 O16 S8 -","4","1","","Hanfeng Ding; Yiping Zhang; Ming Bian; Weijun Yao; Cheng Ma","Concise Assembly of Highly Substituted Furan-Fused 1,4-Thiazepines and Their Diels-Alder Reactions with Benzynes","Journal of Organic Chemistry","2008","73","","578","584","10.1021/jo702299m","","","0.71073","MoKα","","0.0621","0.0417","","","0.0999","0.1087","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023210","11.596","0.003","23.487","0.006","12.675","0.004","90","","96.921","0.012","90","","3426.9","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Br N O4 S -","- C39 H34 Br N O4 S -","- C156 H136 Br4 N4 O16 S4 -","4","1","","Hanfeng Ding; Yiping Zhang; Ming Bian; Weijun Yao; Cheng Ma","Concise Assembly of Highly Substituted Furan-Fused 1,4-Thiazepines and Their Diels-Alder Reactions with Benzynes","Journal of Organic Chemistry","2008","73","","578","584","10.1021/jo702299m","","","0.71069","MoKα","","0.1509","0.0949","","","0.3093","0.343","","","","","","1.177","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023211","17.642","0.0004","16.1","0.0004","18.234","0.0005","90","","90.023","0.001","90","","5179.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C118 H110 Cl4 N10 Ni2 O3 -","- C118 H110 Cl4 N10 Ni2 O3 -","- C236 H220 Cl8 N20 Ni4 O6 -","2","0.5","","Romain Ruppert; Christophe Jeandon; Henry J. Callot","Nonaromatic Corroles: Regioselectivity of Electrophilic Substitution","Journal of Organic Chemistry","2008","73","","694","700","10.1021/jo702321h","","","0.71073","MoKα","","0.1301","0.0852","","","0.2253","0.2539","","","","","","1.019","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023212","13.64","0.0007","17.044","0.0008","25.384","0.0016","80.372","0.002","75.08","0.002","77.676","0.005","5531.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C129 H109 Cl9 N8 Ni2 O4 -","- C129 H109 Cl9 N8 Ni2 O4 -","- C258 H218 Cl18 N16 Ni4 O8 -","2","1","","Romain Ruppert; Christophe Jeandon; Henry J. Callot","Nonaromatic Corroles: Regioselectivity of Electrophilic Substitution","Journal of Organic Chemistry","2008","73","","694","700","10.1021/jo702321h","","","0.71073","MoKα","","0.2673","0.1281","","","0.2947","0.3672","","","","","","1.019","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023213","16.051","0.006","13.024","0.005","11.211","0.004","90","","97.815","0.008","90","","2322","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N O3 -","- C28 H33 N O3 -","- C112 H132 N4 O12 -","4","1","","Youqian Deng; Yihua Yu; Shengming Ma","PdCl~2~/NaI-Catalyzed Homodimeric Coupling-Cyclization Reaction of 2,3-Allenols: An Efficient Synthesis of 4-(1',3'-Dien-2'-yl)-2,5-dihydrofuran Derivatives","Journal of Organic Chemistry","2008","73","","585","589","10.1021/jo702332m","","","0.71073","MoKα","","0.1165","0.0688","","","0.1807","0.2082","","","","","","0.909","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023214","9.6278","0.0006","9.7598","0.0008","11.9405","0.0007","90","","90.372","0.007","90","","1121.97","0.13","150","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Br2 O8 -","- C22 H22 Br2 O8 -","- C44 H44 Br4 O16 -","2","0.5","","Ravuri S. K. Kishore; Velayutham Ravikumar; Gérald Bernardinelli; Naomi Sakai; Stefan Matile","Rapid and Mild Synthesis of Functionalized Naphthalenediimides","Journal of Organic Chemistry","2008","73","","738","740","10.1021/jo702392q","","","0.71073","MoKα","","","0.024","","","","0.024","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023215","9.3529","0.0006","12.6172","0.0008","13.3481","0.0009","90","","109.701","0.001","90","","1482.97","0.17","426","2","426","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl2 N3 O -","- C14 H17 Cl2 N3 O -","- C56 H68 Cl8 N12 O4 -","4","1","","Xiao-an Zhang; Datong Song; Stephen J. Lippard","A Reversible pH-Dependent Intramolecular Pyridine-Aldehyde Cyclization","Journal of Organic Chemistry","2008","73","","734","737","10.1021/jo702394v","","","0.71073","MoKα","","0.0514","0.0468","","","0.1112","0.1142","","","","","","1.121","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023216","9.6642","0.0005","9.6876","0.0006","12.4694","0.0008","86.08","0.003","86.642","0.003","89.612","0.003","1162.69","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H43 O4 P -","- C20 H43 O4 P -","- C40 H86 O8 P2 -","2","1","","Taramatee Ramnial; Stephanie A. Taylor; Marissa L. Bender; Brian Gorodetsky; Peter T. K. Lee; Diane A. Dickie; Brett M. McCollum; Cory C. Pye; Charles J. Walsby; Jason A. C. Clyburne","Carbon-Centered Strong Bases in Phosphonium Ionic Liquids","Journal of Organic Chemistry","2008","73","","801","812","10.1021/jo701289d","","","0.71073","MoKα","","0.0604","0.0422","","","0.1029","0.1088","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023217","11.008","0.011","5.36","0.004","20.248","0.012","90","0.05","91.56","0.06","90","0.07","1194.2","1.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-1,5-Dimethyl-3-phenyl-2,6,8-trioxa-bicyclo[3.2.1]octan-4-ol","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0611","0.0381","","","0.0876","0.1025","","","","","","1.06","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023218","10.895","0.002","5.2947","0.0008","20.542","0.004","90","","90.23","0.03","90","","1185","0.4","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-1,5-Dimethyl-3-phenyl-2,6,8-trioxa-bicyclo[3.2.1]octan-4-ol","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.038","0.0334","","","0.0849","0.0872","","","","","","1.087","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023219","32.348","0.005","32.348","0.005","32.348","0.005","90","","90","","90","","33848","9","180","2","180","2","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C120 H72 O16 Ti4 -","- C120 H72 O16 Ti4 -","- C960 H576 O128 Ti32 -","8","0.0833333","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0718","0.0497","","","0.1198","0.1294","","","","","","0.871","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023220","12.024","0.002","10.6931","0.0015","7.1249","0.001","90","","90","","90","","916.1","0.3","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0277","0.0263","","","0.048","0.048","","","","","","2.598","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023221","12.498","0.003","8.232","0.003","12.746","0.003","90","","109.81","0.02","90","","1233.7","0.6","180","1","180","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl O2 -","- C13 H15 Cl O2 -","- C52 H60 Cl4 O8 -","4","1","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0604","0.0442","","","0.1104","0.1258","","","","","","1.108","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023222","27.5649","0.0017","5.7448","0.0004","26.7615","0.0017","90","","115.727","0.001","90","","3817.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C49 H48 Fe P2 -","- C49 H48 Fe P2 -","- C196 H192 Fe4 P8 -","4","1","","Martin E. Fox; Mark Jackson; Ian C. Lennon; Jerzy Klosin; Khalil A. Abboud","Bis-(2,5-diphenylphospholanes) with sp^2^ Carbon Linkers: Synthesis and Application in Asymmetric Hydrogenation","Journal of Organic Chemistry","2008","73","","775","784","10.1021/jo7014938","","","0.71073","MoKα","","0.0398","0.0325","","","0.0688","0.0711","","","","","","0.99","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023223","10.9694","0.0006","18.716","0.001","11.0478","0.0006","90","","96.885","0.001","90","","2251.8","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H54 B Cl2 F4 Fe P Rh -","- C50.974 H53.948 B Cl1.948 F4 Fe P2 Rh -","- C101.948 H107.896 B2 Cl3.896 F8 Fe2 P4 Rh2 -","2","1","","Martin E. Fox; Mark Jackson; Ian C. Lennon; Jerzy Klosin; Khalil A. Abboud","Bis-(2,5-diphenylphospholanes) with sp^2^ Carbon Linkers: Synthesis and Application in Asymmetric Hydrogenation","Journal of Organic Chemistry","2008","73","","775","784","10.1021/jo7014938","","","0.71073","MoKα","","0.0234","0.0228","","","0.0583","0.0587","","","","","","1.041","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023224","9.6679","0.0002","12.5864","0.0002","19.785","0.0005","90.004","0.001","95.224","0.001","108.017","0.001","2278.94","0.08","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.75 H56.75 Cl0.5 N2.75 O6.5 S4 -","- C44.75 H56.75 Cl0.5 N2.75 O6.5 S4 -","- C89.5 H113.5 Cl N5.5 O13 S8 -","2","1","","Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa; Roland Graff","The in, out Asymmetric Pseudo-Triple Helical Form of a D_3h_ Diaza-Macropentacycle","Journal of Organic Chemistry","2008","73","","868","881","10.1021/jo701984z","","","0.71069","MoKα","","0.1128","0.056","","","0.1299","0.1498","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023225","13.7821","0.0003","13.9108","0.0003","14.9796","0.0004","63.619","0.001","79.58","0.001","81.753","0.001","2523.9","0.1","115","2","115","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H118 Cl6 F6 N6 O12 S8 -","- C93 H118 Cl6 F6 N6 O12 S8 -","- C93 H118 Cl6 F6 N6 O12 S8 -","1","0.5","","Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa; Roland Graff","The in, out Asymmetric Pseudo-Triple Helical Form of a D_3h_ Diaza-Macropentacycle","Journal of Organic Chemistry","2008","73","","868","881","10.1021/jo701984z","","","0.71069","MoKα","","0.106","0.0632","","","0.154","0.1762","","","","","","1.043","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023226","15.578","0.002","20.63","0.003","25.818","0.004","103.545","0.001","95.19","0.001","100.435","0.001","7856","2","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H187.5 N16.5 O12 S12 -","- C146 H187.5 N16.5 O12 S12 -","- C292 H375 N33 O24 S24 -","2","1","","Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa; Roland Graff","The in, out Asymmetric Pseudo-Triple Helical Form of a D_3h_ Diaza-Macropentacycle","Journal of Organic Chemistry","2008","73","","868","881","10.1021/jo701984z","","","0.71069","MoKα","","0.1228","0.0996","","","0.208","0.2179","","","","","","1.212","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023227","11.4642","0.0002","14.387","0.0003","11.1691","0.0002","90","","117.701","0.001","90","","1631.04","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N5 O2 S2 -","- C12 H20 N5 O2 S2 -","- C48 H80 N20 O8 S8 -","4","1","","Chan-Yu Chen; Tzu-Pin Lin; Chine-Kun Chen; Su-Ching Lin; Mei-Chun Tseng; Yuh-Sheng Wen; Shih-Sheng Sun","New Chromogenic and Fluorescent Probes for Anion Detection: Formation of a [2 + 2] Supramolecular Complex on Addition of Fluoride with Positive Homotropic Cooperativity","Journal of Organic Chemistry","2008","73","","900","911","10.1021/jo7019916","","","0.71073","MoKα","","0.0624","0.0459","","","0.1364","0.1419","","","","","","1.099","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023228","9.8797","0.0005","12.9092","0.0007","15.6505","0.0008","78.569","0.003","79.168","0.004","76.872","0.003","1883.85","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 N10 O4 -","- C42 H44 N10 O4 -","- C84 H88 N20 O8 -","2","1","","Chan-Yu Chen; Tzu-Pin Lin; Chine-Kun Chen; Su-Ching Lin; Mei-Chun Tseng; Yuh-Sheng Wen; Shih-Sheng Sun","New Chromogenic and Fluorescent Probes for Anion Detection: Formation of a [2 + 2] Supramolecular Complex on Addition of Fluoride with Positive Homotropic Cooperativity","Journal of Organic Chemistry","2008","73","","900","911","10.1021/jo7019916","","","0.71073","MoKα","","0.1863","0.0453","","","0.0539","0.0672","","","","","","0.573","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023229","10.9826","0.0004","10.7528","0.0004","34.9644","0.0012","90","","92.992","0.002","90","","4123.4","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17.25 H17.5 B Cl0.5 Mo N6 O4 -","- C17.25 H17.5 B Cl0.5 Mo N6 O4 -","- C138 H140 B8 Cl4 Mo8 N48 O32 -","8","4","","Thomas C. Coombs; Lee, IV, Maurice D.; Heilam Wong; Matthew Armstrong; Bo Cheng; Wenyong Chen; Alessandro F. Moretto; Lanny S. Liebeskind","Practical, Scalable, High-Throughput Approaches to η^3^-Pyranil and η^3^-Pyridinyl Organometallic Enantiomeric Scaffolds Using the Achmatowicz Reaction","Journal of Organic Chemistry","2008","73","","882","888","10.1021/jo702006z","","","0.71073","MoKα","","0.0705","0.0609","","","0.1492","0.1547","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023230","13.4004","0.0009","11.6467","0.0008","14.5629","0.001","90","","110.649","0.001","90","","2126.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl N5 O4 -","- C21 H20 Cl N5 O4 -","- C84 H80 Cl4 N20 O16 -","4","1","","Xin Che; Lianyou Zheng; Qun Dang; Xu Bai","Synthesis of Novel Pyrimidine Fused 8-Membered Heterocycles via Iminium Ion Cyclization Reactions","Journal of Organic Chemistry","2008","73","","1147","1149","10.1021/jo7020746","","","0.71073","MoKα","","0.0963","0.067","","","0.1828","0.2043","","","","","","1.028","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023231","8.65","0.003","10.555","0.004","10.599","0.003","71.909","0.007","85.3","0.008","79.061","0.008","902.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Cl N4 O2 -","- C18 H23 Cl N4 O2 -","- C36 H46 Cl2 N8 O4 -","2","1","","Xin Che; Lianyou Zheng; Qun Dang; Xu Bai","Synthesis of Novel Pyrimidine Fused 8-Membered Heterocycles via Iminium Ion Cyclization Reactions","Journal of Organic Chemistry","2008","73","","1147","1149","10.1021/jo7020746","","","0.71073","MoKα","","0.1776","0.0504","","","0.0731","0.098","","","","","","0.755","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023232","9.4397","0.0012","11.6437","0.0014","9.704","0.0012","90","","104.825","0.004","90","","1031.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","José Luis García Ruano; Teresa de Haro; Rajinder Singh; M. Belén Cid","An Efficient Method for the Synthesis of Nitropiperidones","Journal of Organic Chemistry","2008","73","","1150","1153","10.1021/jo702130a","","","1.54178","CuKα","","0.049","0.0365","","","0.0893","0.0971","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023233","7.1177","0.0001","24.8135","0.0005","21.9306","0.0005","90","","98.1033","0.0009","90","","3834.6","0.2","149","","149","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 Cl2 I N3 O -","- C11 H6 Cl2 I N3 O -","- C132 H72 Cl24 I12 N36 O12 -","12","3","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.035","","","","0.069","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023234","10.5962","0.0001","7.6134","0.0001","44.5783","0.0006","90","","90","","90","","3596.27","0.13","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 I N4 O2 -","- C19 H17 I N4 O2 -","- C152 H136 I8 N32 O16 -","8","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.037","","","","0.093","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023235","7.0033","0.0001","23.5018","0.0005","12.388","0.0003","90","","106.052","0.001","90","","1959.45","0.13","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H23 Br N4 O2 Si -","- C17 H23 Br N4 O2 Si -","- C68 H92 Br4 N16 O8 Si4 -","4","2","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.033","","","","0.072","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023236","10.3329","0.0004","10.5854","0.0004","14.1306","0.0007","71.8355","0.0014","77.8408","0.0017","62.847","0.003","1302.42","0.12","199","","199","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 I N4 O4 Si -","- C22 H31 I N4 O4 Si -","- C44 H62 I2 N8 O8 Si2 -","2","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.039","","","","0.098","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023237","12.7124","0.0002","9.7122","0.0002","20.7595","0.0004","90","","93.423","0.001","90","","2558.51","0.14","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Br N5 O4 Si -","- C22 H32 Br N5 O4 Si -","- C88 H128 Br4 N20 O16 Si4 -","4","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.032","","","","0.073","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023238","9.4226","0.0002","26.7406","0.0005","9.9586","0.0002","90","","92.25","0.001","90","","2507.29","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Br N5 O3 Si -","- C22 H30 Br N5 O3 Si -","- C88 H120 Br4 N20 O12 Si4 -","4","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.039","","","","0.091","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023239","11.545","0.0002","11.2482","0.0002","20.2878","0.0004","90","","96.0224","0.0007","90","","2620.04","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Br N5 O3 Si -","- C22 H30 Br N5 O3 Si -","- C88 H120 Br4 N20 O12 Si4 -","4","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.042","","","","0.102","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023240","10.387","0.0005","12.3968","0.0006","14.6661","0.0006","94.683","0.003","102.47","0.002","92.102","0.002","1834.92","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 I N6 O8 -","- C35 H41 I N6 O8 -","- C70 H82 I2 N12 O16 -","2","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.035","","","","0.081","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023241","10.9863","0.0002","11.1358","0.0002","16.9665","0.0004","76.5696","0.0011","82.8136","0.001","71.9996","0.0012","1916.93","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 Br N6 O8 Si -","- C33 H47 Br N6 O8 Si -","- C66 H94 Br2 N12 O16 Si2 -","2","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.048","","","","0.111","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023242","5.9294","0.0012","17.643","0.004","22.536","0.005","90","","93.08","0.03","90","","2354.2","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O6 -","- C30 H22 O6 -","- C120 H88 O24 -","4","1","","Gorka Peris; Edwin Vedejs","Diastereoselective Carboxyl Migrations of 3-Arylbenzofuranones","Journal of Organic Chemistry","2008","73","","1158","1161","10.1021/jo7021444","","","0.71073","MoKα","","0.1586","0.063","","","0.1273","0.1545","","","","","","1.007","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023243","11.6653","0.0006","12.9166","0.0007","13.235","0.0007","81.004","0.002","87.258","0.002","67.033","0.002","1813.34","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl3 N7 O4 S -","- C36 H27 Cl3 N7 O4 S -","- C72 H54 Cl6 N14 O8 S2 -","2","1","","Mateo Alajarín; José Cabrera; Aurelia Pastor; Pilar Sánchez-Andrada; Delia Bautista","Polar Hetero-Diels-Alder Reactions of 4-Alkenylthiazoles with 1,2,4-Triazoline-3,5-diones: An Experimental and Computational Study","Journal of Organic Chemistry","2008","73","","963","973","10.1021/jo7021668","","","0.71073","MoKα","","0.1612","0.0959","","","0.2484","0.2868","","","","","","0.998","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023244","8.9977","0.0004","8.9977","0.0004","40.312","0.002","90","","90","","120","","2826.4","0.2","150","2","150","2","","","","","","","","3","P 61","P 61","169","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C138 H132 N24 -","6","1","","Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity","Investigation of a Flexible Enantiospecific Approach to Aziridines","Journal of Organic Chemistry","2008","73","","1128","1130","10.1021/jo7023637","","","0.71073","MoKα","","0.0497","0.0443","","","0.1171","0.1203","","","","","","1.132","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023245","8.947","0.002","19.636","0.004","14.563","0.003","90","","98.839","0.004","90","","2528.1","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","2","","Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity","Investigation of a Flexible Enantiospecific Approach to Aziridines","Journal of Organic Chemistry","2008","73","","1128","1130","10.1021/jo7023637","","","0.71073","MoKα","","0.1027","0.0587","","","0.1307","0.1546","","","","","","0.947","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023246","6.2669","0.0017","7.288","0.002","17.483","0.006","90","","92.276","0.019","90","","797.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity","Investigation of a Flexible Enantiospecific Approach to Aziridines","Journal of Organic Chemistry","2008","73","","1128","1130","10.1021/jo7023637","","","0.71073","MoKα","","0.144","0.0977","","","0.2336","0.2661","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023247","4.5573","0.0004","10.7409","0.0009","21.1615","0.0017","90","","90","","90","","1035.84","0.15","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","John Kallikat Augustine; Yanjerappa Arthoba Naik; Ashis Baran Mandal; Umesha Kundapur","An Unusual Reaction of Benzalaminoacetals in Trifluoroacetic Acid: Facile Synthesis of 2-Benzylpyrazines","Journal of Organic Chemistry","2008","73","","1176","1179","10.1021/jo702448a","","","0.71073","MoKα","","0.037","0.0355","","","0.0976","0.0998","","","","","","1.11","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023248","18.146","0.002","26.468","0.003","35.413","0.003","90","","90","","90","","17008","3","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C165 H201 Br4 Cl3 N16 O32 -","- C165 H201 Br4 Cl3 N16 O32 -","- C660 H804 Br16 Cl12 N64 O128 -","4","1","","Stephen Hanessian; Valerio Vinci; Kamal Fettis; Thierry Maris; Minh Tan Phan Viet","Self-Assembly of Noncyclic Bis-D- and L-tripeptides into Higher Order Tubular Constructs: Design, Synthesis, and X-ray Crystal Superstructure","Journal of Organic Chemistry","2008","73","","1181","1191","10.1021/jo701621c","","","1.54178","CuKα","","0.0937","0.0888","","","0.2119","0.2133","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023249","11.727","0.013","12.211","0.012","12.988","0.014","90","","110.727","0.005","90","","1739","3","113.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H45 N3 O8 Si -","- C33 H45 N3 O8 Si -","- C66 H90 N6 O16 Si2 -","2","1","","Ken-ichi Sato; Shoji Akai; Hirotsugu Shoji; Naoki Sugita; Shiho Yoshida; Yoshinao Nagai; Katsuhiko Suzuki; Yutaka Nakamura; Yasuhiro Kajihara; Masuo Funabashi; Juji Yoshimura","Stereoselective and Efficient Total Synthesis of Optically Active Tetrodotoxin from D-Glucose","Journal of Organic Chemistry","2008","73","","1234","1242","10.1021/jo701655v","","","0.7107","MoKα","","","0.072","","","","0.1936","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023250","7.6113","0.0003","9.9494","0.0003","16.4236","0.0005","90","","102.074","0.002","90","","1216.21","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F9 O3 -","- C9 H9 F9 O3 -","- C36 H36 F36 O12 -","4","1","","Pierre-Loïc Saaidi; Mathieu Guyonnet; Erwann Jeanneau; Paul Fleurat-Lessard; Jens Hasserodt","Trimerization Products of Trifluoroacetone: Critical Solvent Effect on Position and Kinetics of Anomeric Equilibria","Journal of Organic Chemistry","2008","73","","1209","1216","10.1021/jo701669p","","","0.71073","MoKα","","0.0733","0.0661","","0.0757","0.0719","0.0719","","","","","","1.0791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023251","7.9014","0.0002","9.5107","0.0003","16.5051","0.0005","90","","97.628","0.002","90","","1229.35","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F9 O3 -","- C9 H9 F9 O3 -","- C36 H36 F36 O12 -","4","1","","Pierre-Loïc Saaidi; Mathieu Guyonnet; Erwann Jeanneau; Paul Fleurat-Lessard; Jens Hasserodt","Trimerization Products of Trifluoroacetone: Critical Solvent Effect on Position and Kinetics of Anomeric Equilibria","Journal of Organic Chemistry","2008","73","","1209","1216","10.1021/jo701669p","","","0.71069","MoKα","","0.0435","0.0353","","0.0448","0.0384","0.0384","","","","","","1.1379","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023252","20.3777","0.0004","8.6582","0.0002","20.9518","0.00029","90","","104.932","0.001","90","","3571.79","0.12","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 F9 N O3 -","- C13 H20 F9 N O3 -","- C104 H160 F72 N8 O24 -","8","1","","Pierre-Loïc Saaidi; Mathieu Guyonnet; Erwann Jeanneau; Paul Fleurat-Lessard; Jens Hasserodt","Trimerization Products of Trifluoroacetone: Critical Solvent Effect on Position and Kinetics of Anomeric Equilibria","Journal of Organic Chemistry","2008","73","","1209","1216","10.1021/jo701669p","","","0.71069","MoKα","","0.0589","0.0445","","0.0659","0.0511","0.0511","","","","","","1.0112","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023253","8.1593","0.0014","22.806","0.003","9.8664","0.0014","90","","103.173","0.012","90","","1787.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Cory C. Bausch; Jeffrey S. Johnson","Conjugate Addition/Ireland-Claisen Rearrangements of Allyl Fumarates: Simple Access to Terminally Differentiated Succinates","Journal of Organic Chemistry","2008","73","","1575","1577","10.1021/jo701778k","","","0.71073","MoKα","","0.1537","0.0715","","","0.1973","0.2658","","","","","","1.004","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023254","6.7914","0.0002","15.6058","0.0005","18.4686","0.0006","90","","90","","90","","1957.4","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Christopher J. MacNevin; Rhonda L. Moore; Dennis C. Liotta","Stereoselective Synthesis of Quaternary Center Bearing Azetines and Their β-Amino Acid Derivatives","Journal of Organic Chemistry","2008","73","","1264","1269","10.1021/jo7018202","","","1.54178","CuKα","","0.0279","0.0273","","","0.0744","0.0749","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023255","5.417","0.0001","18.3781","0.0005","19.1656","0.0005","90","","90","","90","","1908.02","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Christopher J. MacNevin; Rhonda L. Moore; Dennis C. Liotta","Stereoselective Synthesis of Quaternary Center Bearing Azetines and Their β-Amino Acid Derivatives","Journal of Organic Chemistry","2008","73","","1264","1269","10.1021/jo7018202","","","1.54178","CuKα","","0.0296","0.0288","","","0.07","0.0706","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023256","11.501","0.0004","21.4606","0.0009","12.8318","0.0005","90","","102.648","0.002","90","","3090.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33.5 H40.5 N3.5 O3.5 -","- C33.5 H40.5 N3.5 O3.5 -","- C134 H162 N14 O14 -","4","2","","Christopher J. MacNevin; Rhonda L. Moore; Dennis C. Liotta","Stereoselective Synthesis of Quaternary Center Bearing Azetines and Their β-Amino Acid Derivatives","Journal of Organic Chemistry","2008","73","","1264","1269","10.1021/jo7018202","","","1.54178","CuKα","","0.0309","0.0303","","","0.0808","0.0815","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023257","13.6249","0.0007","13.6249","0.0007","11.3765","0.0014","90","","90","","120","","1829","0.3","150","2","150","2","","","","","","","synthesis as described","4","P -3","-P 3","147","","","","- C24 H48 N12 O6 -","- C24 H48 N12 O6 -","- C48 H96 N24 O12 -","2","0.333333","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides","Journal of Organic Chemistry","2008","73","","1306","1310","10.1021/jo7021394","","x-ray","0.71073","MoKα","","0.1417","0.0754","","","0.171","0.1977","","","","","","1.035","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023258","18.518","0.001","18.518","0.001","13.44","0.001","90","","90","","120","","3991.3","0.4","100","2","100","2","","","","","","","synthesis as described","4","R 3 :H","R 3","146","","","","- C36 H63 N15 O9 -","- C36 H63 N15 O9 -","- C108 H189 N45 O27 -","3","0.333333","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides","Journal of Organic Chemistry","2008","73","","1306","1310","10.1021/jo7021394","","x-ray","0.71069","MoKα","","0.0431","0.0414","","","0.1307","0.1322","","","","","","1.094","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023259","11.222","0.003","6.1059","0.0015","18.885","0.005","90","","101.542","0.004","90","","1267.9","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","","Gwenaella Rescourio; Howard Alper","Synthesis of 3-Substituted-3,4-dihydro-2H-1,3-benzothiazin- 2-ones via a Highly Regioselective Palladium-Catalyzed Carbonylation of 2-Substituted-2,3-dihydro-1,2-benzisothiazoles","Journal of Organic Chemistry","2008","73","","1612","1615","10.1021/jo702146n","","","0.71073","MoKα","","0.0742","0.0379","","","0.0732","0.0838","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023260","10.2996","0.0007","7.2768","0.0005","12.645","0.0008","90","","98.972","0.001","90","","936.12","0.11","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N3 O S -","- C7 H9 N3 O S -","- C28 H36 N12 O4 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0567","0.0542","","","0.1369","0.1389","","","","","","1.164","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023261","9.4831","0.0006","11.4227","0.0007","12.2955","0.0008","90","","90","","90","","1331.88","0.15","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 O S -","- C15 H11 N3 O S -","- C60 H44 N12 O4 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0375","0.0353","","","0.0897","0.0913","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023262","8.058","0.0007","17.3093","0.0014","9.3111","0.0008","90","","90.646","0.001","90","","1298.61","0.19","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O S -","- C15 H11 N3 O S -","- C60 H44 N12 O4 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0684","0.0561","","","0.1339","0.1399","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023263","4.3559","0.0003","17.3837","0.001","13.9844","0.0008","90","","95.585","0.001","90","","1053.9","0.11","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 S2 -","- C10 H7 N3 S2 -","- C40 H28 N12 S8 -","4","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.041","0.0371","","","0.1034","0.1064","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023264","8.7559","0.0007","14.7605","0.0011","15.6666","0.0012","64.859","0.001","77.852","0.002","83.937","0.002","1791.6","0.2","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O2.25 S2 -","- C16.875 H15 N3 O2.125 S2 -","- C67.5 H60 N12 O8.5 S8 -","4","2","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.1724","0.0828","","","0.2303","0.2785","","","","","","0.984","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023265","7.5503","0.0005","8.2831","0.0005","10.0876","0.0007","86.381","0.001","69.409","0.001","85.586","0.001","588.38","0.07","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 N3 O S -","- C10 H15 N3 O S -","- C20 H30 N6 O2 S2 -","2","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0419","0.0396","","","0.0998","0.1015","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023266","11.4101","0.0007","11.5764","0.0008","11.1033","0.0007","90","","113.999","0.001","90","","1339.83","0.15","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N3 O S -","- C11 H9 N3 O S -","- C44 H36 N12 O4 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.094","0.0859","","","0.2244","0.2307","","","","","","1.244","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023267","8.0664","0.0018","10.007","0.002","12.42","0.003","84.435","0.004","73.553","0.004","77.448","0.004","937.9","0.4","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C38 H42 N6 O6 S2 -","2","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.1124","0.0961","","","0.222","0.2301","","","","","","1.14","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023268","7.0768","0.0006","7.601","0.0007","8.446","0.0008","105.013","0.001","93.805","0.002","106.584","0.001","415.7","0.07","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 F3 N2 O -","- C8 H5 F3 N2 O -","- C16 H10 F6 N4 O2 -","2","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0632","0.0584","","","0.1564","0.1604","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023269","8.2117","0.0006","12.6681","0.0009","14.2278","0.001","65.819","0.001","84.499","0.001","77.734","0.001","1319.32","0.16","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N6 O2 S -","- C26 H21 N6 O2 S -","- C52 H42 N12 O4 S2 -","2","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0915","0.0717","","","0.1818","0.1957","","","","","","1.125","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023270","8.9295","0.0007","9.8336","0.0007","10.2935","0.0008","77.045","0.001","87.322","0.001","64.734","0.001","795.36","0.1","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N6 O2 S2 -","- C12 H16 N6 O2 S2 -","- C24 H32 N12 O4 S4 -","2","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0569","0.0498","","","0.1329","0.1376","","","","","","1.076","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4023271","19.908","0.0003","6.089","0.0001","22.616","0.0004","90","","123.921","0.0006","90","","2274.92","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C96 H100 N4 O16 S4 -","4","1","","Alphonse Tenaglia; Sylvain Marc","Ruthenium-Catalyzed Cross-Coupling of 7-Azabenzonorbornadienes with Alkynes. An Entry to 3a,9b-Dihydrobenzo[g]indoles","Journal of Organic Chemistry","2008","73","","1397","1402","10.1021/jo702248r","","","0.71073","MoKα","","0.1421","0.0959","","","0.1714","0.1942","","","","","","1.141","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023272","8.9037","0.0003","9.5546","0.0004","16.7734","0.0006","90","","96.335","0.001","90","","1418.22","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5,5-trimethyl-7-phenoxy-1-azabicyclo[4.2.0]octan-8-one","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Erika Leemans; Matthias D'hooghe; Yves Dejaegher; Karl W. Törnroos; Norbert De Kimpe","Novel Diastereoselective Synthesis of Bicyclic β-Lactams through Radical Cyclization and Their Reduction toward 2-(1-Alkoxy-2-hydroxyethyl)piperidines and 2-(1-Alkoxy-2-hydroxyethyl)azepanes","Journal of Organic Chemistry","2008","73","","1422","1428","10.1021/jo702263p","","","0.71073","MoKα","","0.0391","0.0362","","","0.0964","0.099","","","","","","1.058","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023273","11.4034","0.0003","8.9648","0.0002","12.416","0.0003","90","","109.83","0.002","90","","1194.01","0.05","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 B F2 N2 O -","- C14 H9 B F2 N2 O -","- C56 H36 B4 F8 N8 O4 -","4","1","","Ying Zhou; Yi Xiao; Dan Li; Meiyan Fu; Xuhong Qian","Novel Fluorescent Fluorine-Boron Complexes: Synthesis, Crystal Structure, Photoluminescence, and Electrochemistry Properties","Journal of Organic Chemistry","2008","73","","1571","1574","10.1021/jo702265x","","","0.71073","MoKα","","0.0457","0.0349","","","0.0976","0.1049","","","","","","0.995","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023274","8.675","0.001","11.4882","0.0013","14.4342","0.0018","90","","101.136","0.003","90","","1411.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 B F2 N2 O -","- C18 H11 B F2 N2 O -","- C72 H44 B4 F8 N8 O4 -","4","1","","Ying Zhou; Yi Xiao; Dan Li; Meiyan Fu; Xuhong Qian","Novel Fluorescent Fluorine-Boron Complexes: Synthesis, Crystal Structure, Photoluminescence, and Electrochemistry Properties","Journal of Organic Chemistry","2008","73","","1571","1574","10.1021/jo702265x","","","0.71073","MoKα","","0.0937","0.0446","","","0.1025","0.1229","","","","","","0.999","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023275","21.2273","0.0003","21.2273","0.0003","11.3541","0.0002","90","","90","","120","","4430.7","0.12","150","2","150","2","","","","","","","synthesis as described","5","R 3 :H","R 3","146","Zweier 1546","","","- C46 H51 Cl6 O6 S12 -","- C46 H51 Cl6 O6 S12 -","- C138 H153 Cl18 O18 S36 -","3","0.333333","","Yangping Liu; Frederick A. Villamena; Jian Sun; Yingkai Xu; Ilirian Dhimitruka; Jay L. Zweier","Synthesis and Characterization of Ester-Derivatized Tetrathiatriarylmethyl Radicals as Intracellular Oxygen Probes","Journal of Organic Chemistry","2008","73","","1490","1497","10.1021/jo7022747","","x-ray","0.71073","MoKα","","0.0521","0.0442","","","0.1135","0.1189","","","","","","1.039","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023276","10.349","0.003","8.407","0.003","18.38","0.005","90","","91.688","0.004","90","","1598.4","0.8","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0484","0.0437","","","0.143","0.1513","","","","","","1.046","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023277","11.035","0.003","12.04","0.003","16.164","0.004","70.833","0.004","82.474","0.004","86.437","0.004","2010.7","0.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","2","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0528","0.0432","","","0.1181","0.1254","","","","","","1.042","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023278","8.462","0.004","9.852","0.005","24.897","0.012","90","","94.67","0.007","90","","2068.9","1.7","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0639","0.0493","","","0.1502","0.1666","","","","","","1.031","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023279","7.9089","0.0015","19.01","0.004","28.786","0.006","90","","90","","90","","4327.8","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cl2 O4 -","- C25 H22 Cl2 O4 -","- C200 H176 Cl16 O32 -","8","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0661","0.0463","","","0.1158","0.1277","","","","","","1.012","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023280","17.477","0.011","12.592","0.007","11.07","0.007","90","","103.58","0.009","90","","2368","2","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O8 -","- C25 H22 N2 O8 -","- C100 H88 N8 O32 -","4","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0721","0.0562","","","0.2108","0.2464","","","","","","1.049","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023281","8.9876","0.0015","10.2457","0.0017","25.218","0.004","90","","99.813","0.002","90","","2288.2","0.6","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O8 -","- C25 H22 N2 O8 -","- C100 H88 N8 O32 -","4","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0529","0.048","","","0.1361","0.1428","","","","","","1.016","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023282","10.876","0.004","11.998","0.004","21.376","0.007","95.456","0.006","103.74","0.005","106.053","0.006","2565.1","1.4","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H28 O4 -","- C33 H28 O4 -","- C132 H112 O16 -","4","2","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.124","0.0869","","","0.2979","0.369","","","","","","1.025","","","","has coordinates,has disorder","178411","2020-10-21","18:00:00",""
"4023283","16.765","0.009","12.101","0.007","25.379","0.014","90","","104.041","0.009","90","","4995","5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 O4 -","- C33 H28 O4 -","- C264 H224 O32 -","8","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0702","0.0493","","","0.1458","0.1652","","","","","","1.072","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023284","20.0166","0.0007","16.6428","0.0006","4.8318","0.0001","90","","90","","90","","1609.63","0.09","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","0.5","","U. C. Reddy; B. Rama Raju; E. K. Pramod Kumar; Anil K. Saikia","Stereoselective One-Pot, Three-Component Synthesis of 4-Amidotetrahydropyran","Journal of Organic Chemistry","2008","73","","1628","1630","10.1021/jo7023366","","","0.71073","MoKα","","0.0822","0.0488","","","0.1089","0.1253","","","","","","0.998","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023285","14.408","0.004","14.455","0.004","13.137","0.004","90","","90","","90","","2736.1","1.4","297","2","297","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1, 1'-Bis[4-(5-bromouracyl)n-butyl] ferrocene","","- C26 H28 Br2 Fe N4 O4 -","- C26 H28 Br2 Fe N4 O4 -","- C104 H112 Br8 Fe4 N16 O16 -","4","0.5","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0642","0.042","","","0.0964","0.1056","","","","","","1.017","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023286","14.074","0.005","14.676","0.005","13.252","0.005","90","","90","","90","","2737.1","1.7","297","2","297","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1, 1'-Bis[4-(thyminyl)n-butyl]ferrocene","","- C28 H34 Fe N4 O4 -","- C28 H34 Fe N4 O4 -","- C112 H136 Fe4 N16 O16 -","4","0.5","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0598","0.0412","","","0.1011","0.1111","","","","","","1.034","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023287","8.403","0.003","9.705","0.004","16.496","0.006","98.201","0.007","92.759","0.007","111.989","0.007","1227.1","0.8","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","1, 1'-Bis[4-(uracyl)n-butyl] ferrocene","","- C26 H30 Fe N4 O4 -","- C26 H30 Fe N4 O4 -","- C52 H60 Fe2 N8 O8 -","2","1","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0844","0.0486","","","0.0958","0.107","","","","","","1.003","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023288","7.588","0.003","9.813","0.005","12.3","0.006","67.192","0.007","89.527","0.008","86.364","0.008","842.4","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Fe N2 O2 -","- C19 H22 Fe N2 O2 -","- C38 H44 Fe2 N4 O4 -","2","1","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0414","0.0363","","","0.0877","0.0903","","","","","","1.087","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023289","13.675","0.003","14.687","0.003","13.361","0.003","90","","90","","90","","2683.6","0.9","297","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-(4-(Thyminyl)butyl)-1'-(4-(uracyl)butyl)ferrocene","","- C27 H31 Fe N4 O4 -","- C27 H31 Fe N4 O4 -","- C108 H124 Fe4 N16 O16 -","4","0.5","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0603","0.0473","","","0.1068","0.1122","","","","","","1.199","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023290","7.376","0.002","9.785","0.003","11.757","0.003","108.301","0.005","94.061","0.006","91.481","0.006","802.6","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Fe N2 O2 -","- C18 H20 Fe N2 O2 -","- C36 H40 Fe2 N4 O4 -","2","1","","Amit N. Patwa; Susmita Gupta; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Linked Thymine/Uracil Conjugates: Base Pairing Directed Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2008","73","","1508","1515","10.1021/jo7023416","","","0.71073","MoKα","","0.0786","0.0587","","","0.1163","0.1256","","","","","","1.124","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023291","10","0.005","10.912","0.006","12.122","0.006","88.339","0.008","72.154","0.007","84.058","0.008","1252.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C60 H50 N2 O4 S2 -","2","1","","Wen Huang; Quansheng Shen; Jialiang Wang; Xigeng Zhou","One-Step Synthesis of Substituted Dihydro- and Tetrahydroisoquinolines by FeCl~3~.6H~2~O Catalyzed Intramolecular Friedel-Crafts Reaction of Benzylamino-Substituted Propargylic Alcohols","Journal of Organic Chemistry","2008","73","","1586","1589","10.1021/jo702342r","","","0.71073","MoKα","","0.1087","0.0562","","","0.1423","0.1761","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023292","11.668","0.004","9.058","0.003","24.293","0.009","90","","91.502","0.006","90","","2566.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C124 H108 N4 O8 S4 -","4","1","","Wen Huang; Quansheng Shen; Jialiang Wang; Xigeng Zhou","One-Step Synthesis of Substituted Dihydro- and Tetrahydroisoquinolines by FeCl~3~.6H~2~O Catalyzed Intramolecular Friedel-Crafts Reaction of Benzylamino-Substituted Propargylic Alcohols","Journal of Organic Chemistry","2008","73","","1586","1589","10.1021/jo702342r","","","0.71073","MoKα","","0.084","0.0491","","","0.1225","0.1415","","","","","","1.019","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023293","11.852","0.006","10.78","0.005","19.613","0.009","90","","93.954","0.007","90","","2500","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C124 H108 N4 O8 S4 -","4","1","","Wen Huang; Quansheng Shen; Jialiang Wang; Xigeng Zhou","One-Step Synthesis of Substituted Dihydro- and Tetrahydroisoquinolines by FeCl~3~.6H~2~O Catalyzed Intramolecular Friedel-Crafts Reaction of Benzylamino-Substituted Propargylic Alcohols","Journal of Organic Chemistry","2008","73","","1586","1589","10.1021/jo702342r","","","0.71073","MoKα","","0.0868","0.0459","","","0.1111","0.1298","","","","","","1.007","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023294","15.889","0.0005","8.0262","0.0003","18.0566","0.0006","90","","90.322","0.002","90","","2302.69","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O5 Si -","- C20.998 H28.995 N O5 Si -","- C83.992 H115.98 N4 O20 Si4 -","4","1","","Rui Ramalho; Peter J. Jervis; Benson M. Kariuki; Alexander C. Humphries; Liam R. Cox","A Brønsted Acid Mediated Cascade Enone Synthesis from Aldehydes Containing a Tethered Propargylsilane","Journal of Organic Chemistry","2008","73","","1631","1634","10.1021/jo702351s","","","1.54178","CuKα","","0.0953","0.0702","","","0.2109","0.2323","","","","","","1.044","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023295","9.5172","0.0017","15.659","0.003","17.026","0.003","90","","90","","90","","2537.3","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","jrc2491n","","","- C24 H35 Cl N2 O3 -","- C24 H35 Cl N2 O3 -","- C96 H140 Cl4 N8 O12 -","4","1","","John Limanto; C. Scott Shultz; Benjamin Dorner; Richard A. Desmond; Paul N. Devine; Shane W. Krska","Synthesis of a Tertiary Carbinamide via a Novel Rh-Catalyzed Asymmetric Hydrogenation","Journal of Organic Chemistry","2008","73","","1639","1642","10.1021/jo702429u","","","0.71073","MoKα","","0.0641","0.0454","","","0.1023","0.1077","","","","","","0.89","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023296","7.4092","0.0006","18.552","0.002","10.841","0.001","90","","107.867","0.008","90","","1418.3","0.3","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H11 F4 N O -","- C17 H11 F4 N O -","- C68 H44 F16 N4 O4 -","4","1","","Tsuyoshi Hosokawa; Akemi Matsumura; Toshimasa Katagiri; Kenji Uneyama","One-Pot Synthesis of 3-Fluoro-4-(trifluoromethyl)quinolines from Pentafluoropropen-2-ol and Their Molecular Modification","Journal of Organic Chemistry","2008","73","","1468","1474","10.1021/jo702568z","","","0.7107","MoKα","","","0.0788","","","","0.1189","","","","","","1.198","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023297","10.455","0.001","14.183","0.003","11.467","0.003","90","","107.785","0.008","90","","1619.2","0.5","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F5 N O2 -","- C17 H14 F5 N O2 -","- C68 H56 F20 N4 O8 -","4","1","","Tsuyoshi Hosokawa; Akemi Matsumura; Toshimasa Katagiri; Kenji Uneyama","One-Pot Synthesis of 3-Fluoro-4-(trifluoromethyl)quinolines from Pentafluoropropen-2-ol and Their Molecular Modification","Journal of Organic Chemistry","2008","73","","1468","1474","10.1021/jo702568z","","","0.7107","MoKα","","","0.0672","","","","0.126","","","","","","1.685","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023298","31.045","0.01","5.649","0.003","10.113","0.004","90","","95.89","0.02","90","","1764.3","1.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Michael T. Crimmins; J. Michael Ellis","An Intramolecular Diels-Alder Strategy for the Asbestinins: Enantioselective Total Syntheses of 11-Acetoxy-4-deoxyasbestinin D and Asbestinin-12","Journal of Organic Chemistry","2008","73","","1649","1660","10.1021/jo0712695","","","0.71073","MoKα","","0.0749","0.0508","","","0.1137","0.1237","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023299","11.9301","0.0006","9.0295","0.0005","15.9998","0.0008","90","","91.231","0.001","90","","1723.15","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 I O2 S -","- C19 H15 I O2 S -","- C76 H60 I4 O8 S4 -","4","1","","Shoji Matsumoto; Kenji Takase; Katsuyuki Ogura","Novel Formation of Iodobenzene Derivatives from 1-(Methylthio)-3-tosylhexa-1,3-dien-5-ynes via Iodine-Induced Intramolecular Cyclization","Journal of Organic Chemistry","2008","73","","1726","1731","10.1021/jo701976q","","","0.71073","MoKα","","0.0208","0.0185","","","0.0464","0.0476","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023300","8.299","0.005","17.925","0.01","18.125","0.01","60.759","0.01","85.196","0.012","87.987","0.011","2344","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H48 N6 O12 -","- C51 H48 N6 O12 -","- C102 H96 N12 O24 -","2","1","","Yuan-Yuan Zhu; Chuang Li; Guang-Yu Li; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen-Bonded Aryl Amide Macrocycles: Synthesis, Single-Crystal Structures, and Stacking Interactions with Fullerenes and Coronene","Journal of Organic Chemistry","2008","73","","1745","1751","10.1021/jo702046f","","","0.71073","MoKα","","0.2208","0.0811","","","0.1821","0.2723","","","","","","0.838","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023301","8.9325","0.0007","41.932","0.003","11.1582","0.0008","90","","109.719","0.001","90","","3934.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 F N5 O7 -","- C39 H50 F N5 O7 -","- C156 H200 F4 N20 O28 -","4","1","","Yuan-Yuan Zhu; Chuang Li; Guang-Yu Li; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen-Bonded Aryl Amide Macrocycles: Synthesis, Single-Crystal Structures, and Stacking Interactions with Fullerenes and Coronene","Journal of Organic Chemistry","2008","73","","1745","1751","10.1021/jo702046f","","","0.71073","MoKα","","0.1402","0.0863","","","0.2344","0.2674","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023302","11.542","0.002","7.5962","0.0015","13.125","0.003","90","","102.91","0.03","90","","1121.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C44 H46 N6 O10 S2 -","2","1","","Changqing Dong; Fanyang Mo; Jianbo Wang","Highly Diastereoselective Addition of the Lithium Enolate of α-Diazoacetoacetate to N-Sulfinyl Imines: Enantioselective Synthesis of 2-Oxo and 3-Oxo Pyrrolidines","Journal of Organic Chemistry","2008","73","","1971","1974","10.1021/jo702275a","","","0.71073","MoKα","","0.1048","0.058","","","0.1424","0.1562","","","","","","1.031","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023303","6.5795","0.0006","17.0246","0.0014","27.565","0.002","90","","90","","90","","3087.6","0.5","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N2 O8 -","- C30 H44 N2 O8 -","- C120 H176 N8 O32 -","4","1","","Rishi G. Vaswani; A. Richard Chamberlin","Stereocontrolled Total Synthesis of (-)-Kaitocephalin","Journal of Organic Chemistry","2008","73","","1661","1681","10.1021/jo702329z","","","0.71073","MoKα","","0.0518","0.0351","","","0.0708","0.0783","","","","","","1.064","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4023304","9.8901","0.001","10.1942","0.001","19.957","0.002","90","","90","","90","","2012.1","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C80 H104 N8 O20 -","4","1","","Rishi G. Vaswani; A. Richard Chamberlin","Stereocontrolled Total Synthesis of (-)-Kaitocephalin","Journal of Organic Chemistry","2008","73","","1661","1681","10.1021/jo702329z","","","0.71073","MoKα","","0.0363","0.0304","","","0.0757","0.0798","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023305","9.5277","0.0008","10.5566","0.0009","12.3874","0.001","90","","90","","90","","1245.93","0.18","163","2","163","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Rishi G. Vaswani; A. Richard Chamberlin","Stereocontrolled Total Synthesis of (-)-Kaitocephalin","Journal of Organic Chemistry","2008","73","","1661","1681","10.1021/jo702329z","","","0.71073","MoKα","","0.0358","0.0318","","","0.0821","0.0861","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023306","7.2458","0.0005","8.5642","0.0008","10.4954","0.0009","111.526","0.003","94.61","0.003","106.651","0.004","567.74","0.08","113.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Fe O2 S -","- C14 H12 Fe O2 S -","- C28 H24 Fe2 O4 S2 -","2","1","","Yuji Miyahara; Emi Nishimura; Takashi Sugimura","Unusual Condensation of 3-Thia[5](1,1')ferrocenophane-1,5-dione with Glyoxal. Formation of [1.1](2,3)Thiopheno(1,1')ferrocenophane-1,7-dione","Journal of Organic Chemistry","2008","73","","1783","1786","10.1021/jo702335w","","","0.7107","MoKα","","","0.0376","","","","0.1152","","","","","","0.914","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023307","11.64","0.002","7.716","0.002","14.946","0.001","90","","106.117","0.009","90","","1289.5","0.3","293.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Fe O2 S -","- C16 H10 Fe O2 S -","- C64 H40 Fe4 O8 S4 -","4","1","","Yuji Miyahara; Emi Nishimura; Takashi Sugimura","Unusual Condensation of 3-Thia[5](1,1')ferrocenophane-1,5-dione with Glyoxal. Formation of [1.1](2,3)Thiopheno(1,1')ferrocenophane-1,7-dione","Journal of Organic Chemistry","2008","73","","1783","1786","10.1021/jo702335w","","","0.7107","MoKα","","","0.0285","","","","0.0468","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023308","10.6738","0.0003","9.03","0.0003","13.6022","0.0004","90","","109.466","0.0009","90","","1236.11","0.07","113.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Fe S2 -","- C16 H14 Fe S -","- C64 H56 Fe4 S4 -","4","1","","Yuji Miyahara; Emi Nishimura; Takashi Sugimura","Unusual Condensation of 3-Thia[5](1,1')ferrocenophane-1,5-dione with Glyoxal. Formation of [1.1](2,3)Thiopheno(1,1')ferrocenophane-1,7-dione","Journal of Organic Chemistry","2008","73","","1783","1786","10.1021/jo702335w","","","0.7107","MoKα","","","0.0261","","","","0.0752","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023309","9.7052","0.0009","11.7214","0.0011","14.5203","0.0014","100.476","0.002","102.547","0.002","108.457","0.002","1472.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 Br N2 O4 -","- C37 H29 Br N2 O4 -","- C74 H58 Br2 N4 O8 -","2","1","","Benjamin W. Gung; Francis Wekesa; Charles L. Barnes","Stacking Interactions between Nitrogen-Containing Six-Membered Heterocyclic Aromatic Rings and Substituted Benzene: Studies in Solution and in the Solid State","Journal of Organic Chemistry","2008","73","","1803","1808","10.1021/jo702354x","","","0.71073","MoKα","","0.0609","0.0419","","","0.0952","0.1045","","","","","","1.02","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023310","7.088","0.003","8.522","0.003","13.121","0.005","108.498","0.005","94.257","0.006","102.719","0.006","724.2","0.5","300","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O6 -","- C16 H13 N O6 -","- C32 H26 N2 O12 -","2","1","","Frédéric Pin; Sébastien Comesse; Morgane Sanselme; Adam Daïch","A Domino N-Amidoacylation/Aldol-Type Condensation Approach to the Synthesis of the Topo-I Inhibitor Rosettacin and Derivatives","Journal of Organic Chemistry","2008","73","","1975","1978","10.1021/jo702387q","","","0.71073","MoKα","","0.0453","0.0407","","","0.1149","0.1202","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023311","15.9597","0.0011","8.1057","0.0006","13.8457","0.001","90","","98.024","0.002","90","","1773.6","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N2 S2 -","- C24 H14 N2 S2 -","- C96 H56 N8 S8 -","4","0.5","","Adam W. Franz; Frank Rominger; Thomas J. J. Müller","Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations","Journal of Organic Chemistry","2008","73","","1795","1802","10.1021/jo702389v","","","0.71073","MoKα","","0.0476","0.0324","","","0.0734","0.0797","","","","","","1.06","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023312","33.049","0.005","33.049","0.005","12.458","0.004","90","","90","","120","","11784","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H26 N2 S2 -","- C33 H26 N2 S2 -","- C594 H468 N36 S36 -","18","1","","Adam W. Franz; Frank Rominger; Thomas J. J. Müller","Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations","Journal of Organic Chemistry","2008","73","","1795","1802","10.1021/jo702389v","","","0.71073","MoKα","","0.0673","0.0426","","","0.0854","0.0937","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023313","6.1109","0.0005","8.1002","0.0007","9.9882","0.0008","107.22","0.002","104.065","0.002","102.182","0.002","436.21","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C22 H24 O2 -","1","0.5","","Adam W. Franz; Frank Rominger; Thomas J. J. Müller","Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations","Journal of Organic Chemistry","2008","73","","1795","1802","10.1021/jo702389v","","","0.71073","MoKα","","0.0871","0.0438","","","0.0911","0.0979","","","","","","0.877","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023314","9.091","0.002","9.227","0.002","18.537","0.004","83.976","0.005","84.6","0.005","74.742","0.005","1488.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N S -","- C37 H40 N S -","- C74 H80 N2 S2 -","2","1","","Adam W. Franz; Frank Rominger; Thomas J. J. Müller","Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations","Journal of Organic Chemistry","2008","73","","1795","1802","10.1021/jo702389v","","","0.71073","MoKα","","0.0834","0.0555","","","0.1093","0.118","","","","","","1.098","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023315","11.4133","0.0002","8.0845","0.0002","34.0102","0.0006","90","","94.811","0.001","90","","3127.09","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 N2 O0.11 S2 -","- C44 H26 N2 O0.112 S2 -","- C176 H104 N8 O0.448 S8 -","4","1","","Adam W. Franz; Frank Rominger; Thomas J. J. Müller","Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations","Journal of Organic Chemistry","2008","73","","1795","1802","10.1021/jo702389v","","","0.71073","MoKα","","0.0865","0.0445","","","0.1045","0.1308","","","","","","1.065","","","","has coordinates,has disorder","178412","2020-10-21","18:00:00",""
"4023316","6.297","0.001","12.593","0.001","18.072","0.002","90","","90","","90","","1433.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Francesca Cardona; Daniela Lalli; Cristina Faggi; Andrea Goti; Alberto Brandi","Quasienantiomeric Levoglucosenone and Isolevoglucosenone Allow the Parallel Kinetic Resolution of a Racemic Nitrone","Journal of Organic Chemistry","2008","73","","1999","2002","10.1021/jo702403b","","","1.54178","CuKα","","0.035","0.0341","","","0.0925","0.0941","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023317","7.336","0.001","8.994","0.001","22.175","0.001","90","0.004","90","0.004","90","0.006","1463.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Francesca Cardona; Daniela Lalli; Cristina Faggi; Andrea Goti; Alberto Brandi","Quasienantiomeric Levoglucosenone and Isolevoglucosenone Allow the Parallel Kinetic Resolution of a Racemic Nitrone","Journal of Organic Chemistry","2008","73","","1999","2002","10.1021/jo702403b","","","1.54178","CuKα","","0.0473","0.0465","","","0.1304","0.1318","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023318","9.4788","0.0014","19.01","0.003","12.106","0.0019","90","","112.162","0.003","90","","2020.3","0.5","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cpd 2: 3-(Benzyloxy)-1,4,5,6,8-pentamethoxynaphthalene-2-carbaldehyde","","","- C23 H24 O7 -","- C23 H24 O7 -","- C92 H96 O28 -","4","1","","Andrew N. Lowell; Michael W. Fennie; Marisa C. Kozlowski","A Concise Synthesis of the Naphthalene Portion of Purpuromycin","Journal of Organic Chemistry","2008","73","","1911","1918","10.1021/jo7024114","","","0.71069","MoKα","","0.0761","0.0418","","","0.0803","0.0929","","","","","","0.828","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023319","14.1","0.003","7.9174","0.0016","17.453","0.004","90","","94.06","0.03","90","","1943.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 F3 N2 O3 -","- C20 H19 F3 N2 O3 -","- C80 H76 F12 N8 O12 -","4","1","","Jin-Yuan Wang; Xue-Fei Guo; De-Xiang Wang; Zhi-Tang Huang; Mei-Xiang Wang","A New Strategy for the Synthesis of 1,4-Benzodiazepine Derivatives Based on the Tandem N-Alkylation-Ring Opening-Cyclization Reactions of Methyl 1-Arylaziridine-2-carboxylates with N-[2-Bromomethyl(phenyl)]trifluoroacetamides","Journal of Organic Chemistry","2008","73","","1979","1982","10.1021/jo7024306","","","0.71073","MoKα","","0.2005","0.116","","","0.2864","0.3314","","","","","","1.09","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023320","8.944","0.003","11.148","0.004","11.494","0.004","90","","111.122","0.006","90","","1069","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Yunfei Du; Junbiao Chang; John Reiner; Kang Zhao","Formation of N-Alkoxyindole Framework: Intramolecular Heterocyclization of 3-Alkoxyimino-2-arylalkylnitriles Mediated by Ferric Chloride","Journal of Organic Chemistry","2008","73","","2007","2010","10.1021/jo7024477","","","0.71073","MoKα","","0.0664","0.0414","","","0.1072","0.1239","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023321","14.4309","0.0014","18.8615","0.0017","20.7102","0.0019","90","","110.223","0.003","90","","5289.6","0.9","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Cl F N2 O3 S -","- C31 H20 Cl F N2 O3 S -","- C248 H160 Cl8 F8 N16 O24 S8 -","8","1","","Li-Rong Wen; Ji-Hui Sun; Ming Li; En-Tao Sun; Shu-Sheng Zhang","Application of β-(2-Chloroaroyl) Thioacetanilides in Synthesis: An Unusual and Highly Efficient Access to Thiochromeno[2,3-b]pyridine Derivatives","Journal of Organic Chemistry","2008","73","","1852","1863","10.1021/jo7024702","","","0.7107","MoKα","","0.0753","0.0498","","","0.1117","0.1257","","","","","","1.084","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023322","11.192","0.0009","11.2077","0.001","11.2808","0.0011","61.82","0.008","77.894","0.009","70.454","0.009","1173.14","0.18","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Cl N3 O5 S -","- C27 H20 Cl N3 O5 S -","- C54 H40 Cl2 N6 O10 S2 -","2","1","","Li-Rong Wen; Ji-Hui Sun; Ming Li; En-Tao Sun; Shu-Sheng Zhang","Application of β-(2-Chloroaroyl) Thioacetanilides in Synthesis: An Unusual and Highly Efficient Access to Thiochromeno[2,3-b]pyridine Derivatives","Journal of Organic Chemistry","2008","73","","1852","1863","10.1021/jo7024702","","","0.7107","MoKα","","0.0667","0.041","","","0.0897","0.1099","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023323","5.6873","0.0004","23.3061","0.0018","23.7168","0.0018","90","","90","","90","","3143.6","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 Cl N2 Pd -","- C36 H41 Cl N2 Pd -","- C144 H164 Cl4 N8 Pd4 -","4","1","","Hwimin Seo; Dimitri Hirsch-Weil; Khalil A. Abboud; Sukwon Hong","Development of Biisoquinoline-Based Chiral Diaminocarbene Ligands: Enantioselective S~N~2' Allylic Alkylation Catalyzed by Copper-Carbene Complexes","Journal of Organic Chemistry","2008","73","","1983","1986","10.1021/jo702512z","","","0.71073","MoKα","","0.0532","0.0377","","","0.084","0.0877","","","","","","0.972","","","","has coordinates,has disorder","178412","2020-10-21","18:00:00",""
"4023324","8.1197","0.0005","12.2354","0.0006","24.5388","0.0016","90","","90","","90","","2437.9","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C136 H112 O8 -","4","1","","Petr Sehnal; Zuzana Krausová; Filip Teplý; Irena G. Stará; Ivo Starý; Lubomír Rulíšek; David Šaman; Ivana Císařová","On the Origin of Diastereoselectivity in [2 + 2 + 2] Cycloisomerization of Chiral Triynes: Controlling Helicity of Helicene-like Compounds by Thermodynamic Factors","Journal of Organic Chemistry","2008","73","","2074","2082","10.1021/jo701997p","","","0.71073","MoKα","","0.0452","0.0296","","","0.0605","0.063","","","","","","0.916","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023325","11.3026","0.0007","8.0682","0.0004","21.4599","0.0013","90","","90","","90","","1957","0.2","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Br N O2 -","- C8 H16 Br N O2 -","- C64 H128 Br8 N8 O16 -","8","1","","Grant R. Krow; Deepa Gandla; Weiwei Guo; Ryan A. Centafont; Guoliang Lin; Charles DeBrosse; Philip E. Sonnet; Ross, III, Charles W.; Harri G. Ramjit; Patrick J. Carroll; Kevin C. Cannon","Neighboring Group Participation in the Additions of Iodonium and Bromonium Ions to N-Alkoxycarbonyl-2-azabicyclo[2.2.n]alk-5-enes (n = 1,2)","Journal of Organic Chemistry","2008","73","","2114","2121","10.1021/jo702153q","","","0.71069","MoKα","","0.0307","0.0245","","","0.0606","0.0629","","","","","","0.982","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023326","9.8678","0.0014","11.6482","0.0013","12.8796","0.0018","90","","105.701","0.003","90","","1425.2","0.3","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 I N O3 -","- C12 H20 I N O3 -","- C48 H80 I4 N4 O12 -","4","1","","Grant R. Krow; Deepa Gandla; Weiwei Guo; Ryan A. Centafont; Guoliang Lin; Charles DeBrosse; Philip E. Sonnet; Ross, III, Charles W.; Harri G. Ramjit; Patrick J. Carroll; Kevin C. Cannon","Neighboring Group Participation in the Additions of Iodonium and Bromonium Ions to N-Alkoxycarbonyl-2-azabicyclo[2.2.n]alk-5-enes (n = 1,2)","Journal of Organic Chemistry","2008","73","","2114","2121","10.1021/jo702153q","","","0.71069","MoKα","","0.0257","0.0241","","","0.058","0.0592","","","","","","1.11","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023327","10.2505","0.0004","14.0328","0.0006","13.0709","0.0005","90","","94.134","0.001","90","","1875.27","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Vyacheslav V. Diev; Oksana N. Stetsenko; Tran Q. Tung; Jürgen Kopf; Rafael R. Kostikov; Alexander P. Molchanov","Nitrone Cycloadditions to 1,2-Diphenylcyclopropenes and Subsequent Transformations of the Isoxazolidine Cycloadducts","Journal of Organic Chemistry","2008","73","","2396","2399","10.1021/jo702379d","","","0.71073","MoKα","","0.054","0.0476","","","0.1198","0.1237","","","","","","1.059","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023328","13.5644","0.0012","17.9443","0.0015","7.5691","0.0006","90","","102.094","0.001","90","","1801.5","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N -","- C23.868 H21 N0.9 -","- C95.472 H84 N3.6 -","4","1","","Vyacheslav V. Diev; Oksana N. Stetsenko; Tran Q. Tung; Jürgen Kopf; Rafael R. Kostikov; Alexander P. Molchanov","Nitrone Cycloadditions to 1,2-Diphenylcyclopropenes and Subsequent Transformations of the Isoxazolidine Cycloadducts","Journal of Organic Chemistry","2008","73","","2396","2399","10.1021/jo702379d","","","0.71073","MoKα","","0.0515","0.0381","","","0.0982","0.1047","","","","","","0.793","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023329","7.07","0.0007","22.418","0.002","11.2301","0.0012","90","","98.45","0.01","90","","1760.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-methoxy-6-(4-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)pyridazine","","- C18 H23 B N2 O4 -","- C18 H23 B N2 O4 -","- C72 H92 B4 N8 O16 -","4","1","","Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit","Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology","Journal of Organic Chemistry","2008","73","","2176","2181","10.1021/jo702420q","","","0.71073","MoKα","","0.0597","0.0432","","","0.1009","0.1087","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023330","6.7381","0.0007","22.646","0.002","11.128","0.0011","90","","106.52","0.01","90","","1627.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Methoxy-6-(2-fluoropyridin-5-yl)-4-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)pyridazine","","- C16 H19 B F N3 O3 -","- C16 H19 B F N3 O3 -","- C64 H76 B4 F4 N12 O12 -","4","1","","Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit","Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology","Journal of Organic Chemistry","2008","73","","2176","2181","10.1021/jo702420q","","","0.71073","MoKα","","0.0655","0.0451","","","0.1037","0.1147","","","","","","1.035","","","","has coordinates,has disorder","178412","2020-10-21","18:00:00",""
"4023331","3.8868","0.0004","10.5556","0.0012","15.3809","0.0017","76.94","0.01","83.2","0.01","81.19","0.01","605.16","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-methoxy-6-phenyl-4-(pyrimidin-5-yl)pyridazine","","- C15 H12 N4 O -","- C15 H12 N4 O -","- C30 H24 N8 O2 -","2","1","","Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit","Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology","Journal of Organic Chemistry","2008","73","","2176","2181","10.1021/jo702420q","","","0.71073","MoKα","","0.0561","0.0405","","","0.1019","0.1107","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023332","4.0434","0.0005","21.962","0.003","15.6265","0.0016","90","","90.73","0.01","90","","1387.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-methoxy-6-(4-methoxyphenyl)-4-(pyridin-4-yl)- pyridazine","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit","Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology","Journal of Organic Chemistry","2008","73","","2176","2181","10.1021/jo702420q","","","0.71073","MoKα","","0.0614","0.0421","","","0.1003","0.1089","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023333","4.7192","0.0005","32.701","0.003","10.7657","0.001","90","","90.55","0.01","90","","1661.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-benzyl-6-phenyl-4-(pyridin-2-yl)pyridazin-3(2H)-one","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit","Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology","Journal of Organic Chemistry","2008","73","","2176","2181","10.1021/jo702420q","","","0.71073","MoKα","","0.0726","0.0537","","","0.1167","0.1252","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023334","8.3208","0.0011","8.4696","0.0011","10.4997","0.0014","87.23","0.01","71.32","0.01","79.16","0.01","688.41","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Pyridinium salt of 6-phenyl-4-(pyridin-2-yl)pyridazin-3(2H)-one","","- C15 H12 B F4 N3 O -","- C15 H12 B F4 N3 O -","- C30 H24 B2 F8 N6 O2 -","2","1","","Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit","Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology","Journal of Organic Chemistry","2008","73","","2176","2181","10.1021/jo702420q","","","0.71073","MoKα","","0.0436","0.036","","","0.1001","0.1059","","","","","","1.03","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023335","7.0362","0.0009","18.25","0.002","7.5773","0.0009","90","","93.38","0.01","90","","971.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6-Dimethoxypyridazine : boric acid","","- C6 H11 B N2 O5 -","- C6 H11 B N2 O5 -","- C24 H44 B4 N8 O20 -","4","1","","Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit","Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology","Journal of Organic Chemistry","2008","73","","2176","2181","10.1021/jo702420q","","","0.71073","MoKα","","0.0777","0.047","","","0.1011","0.113","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023336","11.1104","0.0004","12.9232","0.0004","15.1849","0.0005","80.639","0.002","70.439","0.002","85.675","0.002","2026.57","0.12","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H42 -","- C60 H42 -","- C120 H84 -","2","1","","Sethuraman Sankararaman; Gandikota Venkataramana; Babu Varghese","Conformational Isomers from Rotation of Diacetylenic Bond in an Ethynylpyrene-Substituted Molecular Hinge","Journal of Organic Chemistry","2008","73","","2404","2407","10.1021/jo7024724","","","0.71073","MoKα","","0.0887","0.0529","","","0.1284","0.1501","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023337","18.431","0.002","11.8956","0.0014","19.474","0.002","90","","90","","90","","4269.7","0.8","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C60 H42 -","- C60 H42 -","- C240 H168 -","4","0.5","","Sethuraman Sankararaman; Gandikota Venkataramana; Babu Varghese","Conformational Isomers from Rotation of Diacetylenic Bond in an Ethynylpyrene-Substituted Molecular Hinge","Journal of Organic Chemistry","2008","73","","2404","2407","10.1021/jo7024724","","","0.71073","MoKα","","0.1317","0.1174","","","0.4286","0.4362","","","","","","1.363","","","","has coordinates,has disorder","178412","2020-10-21","18:00:00",""
"4023338","9.0552","0.0009","28.655","0.003","7.5307","0.0007","90","","108.552","0.001","90","","1852.5","0.3","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","compound 1","1,8-di(o-tolyl)biphenylene","","- C26 H20 -","- C26 H20 -","- C104 H80 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Arylbiphenylene Atropisomers: Structure, Conformation, Stereodynamics, and Absolute Configuration","Journal of Organic Chemistry","2008","73","","2198","2205","10.1021/jo702502n","","","0.71073","MoKα","","0.0709","0.0465","","","0.1268","0.1401","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023339","10.132","0.006","11.507","0.006","21.32","0.012","90","","95.982","0.007","90","","2472","2","273","2","273","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","compound 4","1,8-bis(2-tert-butylphenyl)biphenylene","","- C32 H32 -","- C32 H32 -","- C128 H128 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Arylbiphenylene Atropisomers: Structure, Conformation, Stereodynamics, and Absolute Configuration","Journal of Organic Chemistry","2008","73","","2198","2205","10.1021/jo702502n","","","0.71073","MoKα","","0.083","0.0518","","","0.1278","0.1464","","","","","","1.028","","","","has coordinates,has disorder","178412","2020-10-21","18:00:00",""
"4023340","13.6908","0.0013","9.379","0.0009","21.235","0.002","90","","100.565","0.002","90","","2680.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Br O5 -","- C28 H31 Br O5 -","- C112 H124 Br4 O20 -","4","1","","Jian-Mei Lu; Min Shi","Lewis Acid Catalyzed Reactions of Vinylidenecyclopropanes with Activated Carbon-Oxygen Double Bond: A Facile Synthetic Protocol for Functionalized Tetrahydrofuran and 3,6-Dihydropyran Derivatives","Journal of Organic Chemistry","2008","73","","2206","2210","10.1021/jo702518u","","","0.71073","MoKα","","0.0902","0.0493","","","0.1185","0.1285","","","","","","0.846","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023341","11.495","0.002","9.281","0.002","17.236","0.003","90","","95.853","0.003","90","","1829.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Ethoxycarbonyl-2-methyl-4-(2'-nitrophenyl)-1-phenyl-1,4-dihydropyridine","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Lakhwinder Singh; M. P. Singh Ishar; Munusamy Elango; Venkatesan Subramanian; Vivek Gupta; Priyanka Kanwal","Synthesis of Unsymmetrical Substituted 1,4-Dihydropyridines through Thermal and Microwave Assisted [4+2] Cycloadditions of 1-Azadienes and Allenic Esters","Journal of Organic Chemistry","2008","73","","2224","2233","10.1021/jo702548b","","","0.71073","MoKα","","0.0799","0.0494","","","0.0687","0.0741","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023342","6.89","0.0014","13.61","0.003","19.8","0.004","90","","91.23","0.03","90","","1856.3","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[1-(4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carbonyl)- piperidin-4-yl]-3-[1-(4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane- 1-carbonyl)-1,2,3,4-tetrahydro-quinolin-3-yl]-butyric acid methyl ester","","- C40 H56 N2 O9 -","- C40 H56 N2 O9 -","- C80 H112 N4 O18 -","2","1","","William A. Kinney; Christopher A. Teleha; Andrew S. Thompson; Maria Newport; Ryan Hansen; Scott Ballentine; Shyamali Ghosh; Andrew Mahan; Gabriela Grasa; Antonio Zanotti-Gerosa; Jules Dingenen; Carsten Schubert; Yong Zhou; Gregory C. Leo; David F. McComsey; Rosemary J. Santulli; Bruce E. Maryanoff","Suzuki-Miyaura Approach to JNJ-26076713, an Orally Active Tetrahydroquinoline-Containing α~v~β~3~/α~v~β~5~ Integrin Antagonist. Enantioselective Synthesis and Stereochemical Studies","Journal of Organic Chemistry","2008","73","","2302","2310","10.1021/jo702551t","","","1.54178","CuKα","","0.03","0.0299","","","0.0793","0.0793","","","","","","1.075","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023343","10.597","0.002","12.793","0.003","13.519","0.003","63.73","0.03","80.56","0.03","77.57","0.03","1600","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N3 O S -","- C16 H17 N3 O S -","- C64 H68 N12 O4 S4 -","4","2","","Jianglei Hu; Qian Zhang; Hongjuan Yuan; Qun Liu","Temperature-Controlled Synthesis of Substituted Pyridine Derivatives via the [5C + 1N] Annulation of 1,1-Bisalkylthio-1,4-pentanedienes and Ammonium Acetate","Journal of Organic Chemistry","2008","73","","2442","2445","10.1021/jo702586p","","","0.71073","MoKα","","0.1559","0.0718","","","0.1507","0.1749","","","","","","1.113","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023344","22.158","0.008","12.99","0.005","13.502","0.007","90","","102.643","0.005","90","","3792","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ethyl (Z)-3-(4-chlorophenyl)-2-cyano-3-(4-phenyl-1,2,3-selenadiazol-5-yl)- 2-propenoate","","- C20 H14 Cl N3 O2 Se -","- C20 H14 Cl N3 O2 Se -","- C160 H112 Cl8 N24 O16 Se8 -","8","1","","Sivaperuman Saravanan; Ismail Abulkalam Azath; Shanmugam Muthusubramanian","Synthesis of Highly Substituted 2,3-Dihydro-1H-pyrrole Derivatives via a Tandem Regioselective Addition of Nitrones to 1,3-Enynes with Subsequent Rearrangement","Journal of Organic Chemistry","2008","73","","2323","2329","10.1021/jo702610j","","","0.71069","MoKα","","0.0924","0.0375","","","0.0864","0.1041","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023345","15.2318","0.0005","10.6472","0.0004","19.2838","0.0007","90","","106.953","0.001","90","","2991.47","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-(4-chlorobenzoyl)-3-cyano-4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1- phenyl-2,3-dihydro-1H-pyrrole-3-carboxylate","","- C34 H27 Cl2 N2 O4 -","- C34 H26 Cl2 N2 O4 -","- C136 H104 Cl8 N8 O16 -","4","1","","Sivaperuman Saravanan; Ismail Abulkalam Azath; Shanmugam Muthusubramanian","Synthesis of Highly Substituted 2,3-Dihydro-1H-pyrrole Derivatives via a Tandem Regioselective Addition of Nitrones to 1,3-Enynes with Subsequent Rearrangement","Journal of Organic Chemistry","2008","73","","2323","2329","10.1021/jo702610j","","","0.71073","MoKα","","0.0704","0.045","","","0.1245","0.1482","","","","","","1.065","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023346","5.7838","0.001","13.321","0.002","20.084","0.004","90","","90","","90","","1547.4","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Zhi-Hua Sun; Bing Wang","A Facile and Practical Synthesis of Peracylated 4-Thio-D-ribofuranoses from D-Glucose","Journal of Organic Chemistry","2008","73","","2462","2465","10.1021/jo7026596","","","0.71073","MoKα","","0.0458","0.0343","","","0.0881","0.096","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023347","11.4112","0.0018","8.6807","0.0014","13.502","0.002","90","","102.11","0.002","90","","1307.7","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H24 O8 S -","- C28 H24 O8 S -","- C56 H48 O16 S2 -","2","1","","Zhi-Hua Sun; Bing Wang","A Facile and Practical Synthesis of Peracylated 4-Thio-D-ribofuranoses from D-Glucose","Journal of Organic Chemistry","2008","73","","2462","2465","10.1021/jo7026596","","","0.71073","MoKα","","0.0582","0.0485","","","0.1033","0.1109","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023348","8.5503","0.001","9.8828","0.0012","11.4198","0.0014","78.062","0.001","76.282","0.001","83.652","0.001","915.26","0.19","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl N4 O3 P -","- C16 H18 Cl N4 O3 P -","- C32 H36 Cl2 N8 O6 P2 -","2","1","","Gui-Rong Qu; Ran Xia; Xi-Ning Yang; Jian-Guo Li; Dong-Chao Wang; Hai-Ming Guo","Synthesis of Novel C6-Phosphonated Purine Nucleosides under Microwave Irradiation by SNAr-Arbuzov Reaction","Journal of Organic Chemistry","2008","73","","2416","2419","10.1021/jo702680p","","","0.71073","MoKα","","0.0468","0.0396","","","0.1046","0.1105","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023349","8.5952","0.001","21.587","0.003","9.6507","0.0011","90","","100.735","0.001","90","","1759.3","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N4 O3 P -","- C16 H19 N4 O3 P -","- C64 H76 N16 O12 P4 -","4","1","","Gui-Rong Qu; Ran Xia; Xi-Ning Yang; Jian-Guo Li; Dong-Chao Wang; Hai-Ming Guo","Synthesis of Novel C6-Phosphonated Purine Nucleosides under Microwave Irradiation by SNAr-Arbuzov Reaction","Journal of Organic Chemistry","2008","73","","2416","2419","10.1021/jo702680p","","","0.71073","MoKα","","0.0591","0.0482","","","0.1262","0.1343","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023350","12.7387","0.0013","9.643","0.001","14.606","0.0014","90","","114.556","0.001","90","","1631.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N4 O5 P -","- C13 H19 N4 O5 P -","- C52 H76 N16 O20 P4 -","4","1","","Gui-Rong Qu; Ran Xia; Xi-Ning Yang; Jian-Guo Li; Dong-Chao Wang; Hai-Ming Guo","Synthesis of Novel C6-Phosphonated Purine Nucleosides under Microwave Irradiation by SNAr-Arbuzov Reaction","Journal of Organic Chemistry","2008","73","","2416","2419","10.1021/jo702680p","","","0.71073","MoKα","","0.0667","0.0572","","","0.1608","0.1705","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023351","13.987","0.0006","8.8637","0.0004","11.7764","0.0005","90","","100.184","0.002","90","","1437","0.11","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C16 F16 -","- C16 F16 -","- C64 F64 -","4","1","","Dolbier, Jr., William R.; Puhui Xie; Lianhao Zhang; Wei Xu; Ying Chang; Khalil A. Abboud","Synthesis of Perfluoro[2.2]paracyclophane","Journal of Organic Chemistry","2008","73","","2469","2472","10.1021/jo7026849","","","0.71073","MoKα","","0.0464","0.035","","","0.0905","0.0972","","","","","","1.061","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023352","9.651","0.002","5.5814","0.0013","24.597","0.006","90","","95.404","0.004","90","","1319","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 D F2 O3 -","- C15 H13 D F2 O3 -","- C60 H52 D4 F8 O12 -","4","1","","Lisa Mitchell; John A. Parkinson; Jonathan M. Percy; Kuldip Singh","Selected Substituent Effects on the Rate and Efficiency of Formation of an Eight-Membered Ring by RCM","Journal of Organic Chemistry","2008","73","","2389","2395","10.1021/jo702726b","","","0.71073","MoKα","","0.0532","0.0397","","","0.0922","0.0974","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4023353","13.455","0.005","25.148","0.008","8.796","0.003","90","","91.047","0.006","90","","2975.7","1.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 F4 O6 -","- C30 H28 F4 O6 -","- C120 H112 F16 O24 -","4","0.5","","Lisa Mitchell; John A. Parkinson; Jonathan M. Percy; Kuldip Singh","Selected Substituent Effects on the Rate and Efficiency of Formation of an Eight-Membered Ring by RCM","Journal of Organic Chemistry","2008","73","","2389","2395","10.1021/jo702726b","","","0.71073","MoKα","","0.0774","0.0538","","","0.1197","0.1305","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4023354","11.947","0.002","5.9259","0.0008","12.668","0.002","90","","106.117","0.002","90","","861.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O2 -","- C17 H22 Br N O2 -","- C34 H44 Br2 N2 O4 -","2","1","","Christopher J. Hayes; Alexandra E. Sherlock; Martin P. Green; Claire Wilson; Alexander J. Blake; Matthew D. Selby; Jeremy C. Prodger","Enantioselective Total Syntheses of Omuralide, 7-epi-Omuralide, and (+)-Lactacystin","Journal of Organic Chemistry","2008","73","","2041","2051","10.1021/jo7027695","","","0.71073","MoKα","","0.0555","0.0445","","","0.0955","0.1","","","","","","0.949","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023355","6.0582","0.0003","13.239","0.0006","20.3127","0.0009","90","","90","","90","","1629.17","0.13","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C68 H92 N4 O20 -","4","1","","Christopher J. Hayes; Alexandra E. Sherlock; Martin P. Green; Claire Wilson; Alexander J. Blake; Matthew D. Selby; Jeremy C. Prodger","Enantioselective Total Syntheses of Omuralide, 7-epi-Omuralide, and (+)-Lactacystin","Journal of Organic Chemistry","2008","73","","2041","2051","10.1021/jo7027695","","","1.5418","CuKα","","0.0274","0.0265","","","0.0684","0.0689","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023356","8.1931","0.0011","9.2321","0.0013","19.795","0.003","90","","90","","90","","1497.3","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Christopher J. Hayes; Alexandra E. Sherlock; Martin P. Green; Claire Wilson; Alexander J. Blake; Matthew D. Selby; Jeremy C. Prodger","Enantioselective Total Syntheses of Omuralide, 7-epi-Omuralide, and (+)-Lactacystin","Journal of Organic Chemistry","2008","73","","2041","2051","10.1021/jo7027695","","","0.71073","MoKα","","0.0467","0.0396","","","0.0979","0.1012","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023357","8.3612","0.0008","8.4846","0.0007","12.9516","0.0011","76.027","0.01","86.723","0.011","76.115","0.011","865.56","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N-[4-Methyl-2-(p-nitrophenylethinyl)phenyl)]-N'-phenyl-carbodiimid","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C44 H30 N6 O4 -","2","1","","Michael Schmittel; Jens-Peter Steffen; David Rodríguez; Bernward Engelen; Elmar Neumann; Mehmet Emin Cinar","Thermal C^2^-C^6^ Cyclization of Enyne-Carbodiimides: Experimental Evidence Contradicts a Diradical and Suggests a Carbene Intermediate","Journal of Organic Chemistry","2008","73","","3005","3016","10.1021/jo701966h","","","0.71073","MoKα","","0.0553","0.0403","","","0.1098","0.1168","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023358","8.9855","0.0006","14.5769","0.0006","21.2416","0.0009","90","","90","","90","","2782.2","0.4","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C112 H144 O24 S8 -","8","2","","Mohammad N. Noshi; Ahmad El-Awa; Philip L. Fuchs","Second-Generation Synthesis of syn- and anti-Cycloheptadienylsulfone Polyketide Stereodiads","Journal of Organic Chemistry","2008","73","","3274","3277","10.1021/jo702353e","","","0.71073","MO-Kα","","","0.063","","","","0.107","","","","","","1.066","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023359","11.358","0.004","15.848","0.006","21.507","0.008","90","","94.435","0.007","90","","3860","3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H66 Cl N5 P2 Pd -","- C35 H66 Cl N5 P2 Pd -","- C140 H264 Cl4 N20 P8 Pd4 -","4","1","","Ch. Venkat Reddy; Jesudoss V. Kingston; John G. Verkade","(t-Bu)~2~PN=P(i-BuNCH~2~CH~2~)~3~N: New Efficient Ligand for Palladium-Catalyzed C-N Couplings of Aryl and Heteroaryl Bromides and Chlorides and for Vinyl Bromides at Room Temperature","Journal of Organic Chemistry","2008","73","","3047","3062","10.1021/jo702367k","","","0.71073","MoKα","","0.0852","0.0429","","","0.0921","0.1111","","","","","","1.063","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023360","21.476","0.004","17.488","0.003","18.801","0.003","90","","96.611","0.003","90","","7014","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H64 Cl N5 P2 Pd -","- C30 H64 Cl N5 P2 Pd -","- C240 H512 Cl8 N40 P16 Pd8 -","8","2","","Ch. Venkat Reddy; Jesudoss V. Kingston; John G. Verkade","(t-Bu)~2~PN=P(i-BuNCH~2~CH~2~)~3~N: New Efficient Ligand for Palladium-Catalyzed C-N Couplings of Aryl and Heteroaryl Bromides and Chlorides and for Vinyl Bromides at Room Temperature","Journal of Organic Chemistry","2008","73","","3047","3062","10.1021/jo702367k","","","0.71073","MoKα","","0.0754","0.0473","","","0.0933","0.1049","","","","","","1.043","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023361","5.7913","0.0019","12.976","0.003","17.478","0.004","90","","90","","90","","1313.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-α-phenylethyl-t-butylsulfinamide","","- C12 H19 N O S -","- C12 H19 N O S -","- C48 H76 N4 O4 S4 -","4","1","","Ana G. Petrovic; Prasad L. Polavarapu; Jozef Drabowicz; Piotr Łyźwa; Marian Mikołajczyk; Wanda Wieczorek; Agnieszka Balińska","Diastereomers of N-α-Phenylethyl-t-butylsulfinamide: Absolute Configurations and Predominant Conformations","Journal of Organic Chemistry","2008","73","","3120","3129","10.1021/jo702544g","","","1.54178","CuKα","","0.0486","0.0481","","","0.129","0.1305","","","","","","1.081","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023362","5.8997","0.0012","26.612","0.005","9.3887","0.0019","90","","100.66","0.03","90","","1448.6","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5S*,6S*)-6,8-Diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Petr Melša; Michal Čajan; Zdeněk Havlas; Ctibor Mazal","Substituent Effect on exo Stereoselectivity in the 1,3-Dipolar Cycloaddition Reaction of Tulipalin A with Nitrile Ylides","Journal of Organic Chemistry","2008","73","","3032","3039","10.1021/jo702563n","","","0.71069","MoKα","","0.0755","0.0484","","","0.1125","0.125","","","","","","1.087","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023363","8.3935","0.0009","12.9928","0.0014","15.2944","0.0017","90","","90","","90","","1667.9","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Derrick L. J. Clive; Dazhan Liu","Synthesis of the Potent Anticancer Agents Ottelione A and Ottelione B in Both Racemic and Natural Optically Pure Forms","Journal of Organic Chemistry","2008","73","","3078","3087","10.1021/jo702635t","","","0.71073","MoKα","","0.0631","0.0439","","","0.1005","0.1107","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023364","9.9186","0.0008","12.4763","0.001","18.4869","0.0014","93.812","0.002","104.287","0.002","95.025","0.002","2199.2","0.3","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C81.5 H19 N O S -","- C81.5 H19 N O S -","- C163 H38 N2 O2 S2 -","2","1","","Min Zheng; Fang-fang Li; Ling Ni; Wei-wei Yang; Xiang Gao","Synthesis and Identification of Heterocyclic Derivatives of Fullerene C~60~: Unexpected Reaction of Anionic C~60~ with Benzonitrile","Journal of Organic Chemistry","2008","73","","3159","3168","10.1021/jo702678c","","","0.71073","MoKα","","0.1258","0.0698","","","0.1431","0.1713","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023365","8.437","0.003","11.22","0.004","15.985","0.005","104.61","0.03","93.98","0.03","103.76","0.03","1408.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H50 O6 Si -","- C26 H50 O6 Si -","- C52 H100 O12 Si2 -","2","1","","Alexander O. Terent'ev; Maxim M. Platonov; Anna I. Tursina; Vladimir V. Chernyshev; Gennady I. Nikishin","Synthesis of Cyclic Peroxides Containing the Si-gem-bisperoxide Fragment. 1,2,4,5,7,8-Hexaoxa-3-silonanes as a New Class of Peroxides","Journal of Organic Chemistry","2008","73","","3169","3174","10.1021/jo7027213","","x-ray","0.71073","MoKα","","0.1535","0.0527","","","0.101","0.124","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023366","18.883","0.003","12.913","0.003","12.913","0.003","90","","106.62","0.02","90","","3017.1","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 O6 Si -","- C28 H54 O6 Si -","- C112 H216 O24 Si4 -","4","1","","Alexander O. Terent'ev; Maxim M. Platonov; Anna I. Tursina; Vladimir V. Chernyshev; Gennady I. Nikishin","Synthesis of Cyclic Peroxides Containing the Si-gem-bisperoxide Fragment. 1,2,4,5,7,8-Hexaoxa-3-silonanes as a New Class of Peroxides","Journal of Organic Chemistry","2008","73","","3169","3174","10.1021/jo7027213","","x-ray","1.54184","CuKα","","0.1946","0.0726","","","0.0973","0.1541","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023367","13.3853","0.0003","20.4715","0.0004","36.452","0.0007","90","","90","","90","","9988.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H146 N4 O19 Si12 -","- C66 H146 N4 O19 Si12 -","- C264 H584 N16 O76 Si48 -","4","1","","David Rodríguez-Lucena; Juan M. Benito; Eleuterio Álvarez; Carlos Jaime; Javier Perez-Mirón; Carmen Ortiz Mellet; José M. García Fernández","Synthesis, Structure, and Inclusion Capabilities of Trehalose-Based Cyclodextrin Analogues (Cyclotrehalans)","Journal of Organic Chemistry","2008","73","","2967","2979","10.1021/jo800048s","","","0.71073","MoKα","","0.0556","0.0438","","","0.1119","0.1195","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023368","10.71","0.002","10.795","0.002","21.519","0.005","90","","93.7","0.004","90","","2482.9","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B F4 N3 O2 -","- C26 H30 B F4 N3 O2 -","- C104 H120 B4 F16 N12 O8 -","4","1","","Jenna L. Jeffrey; Sean P. McClintock; Michael M. Haley","Synthesis of 1-Substituted Benzo[c]isoxazol-3(1H)-imines via Tandem Nitroso-Ene/Intramolecular Cyclizations of 2-Nitrosobenzonitrile","Journal of Organic Chemistry","2008","73","","3288","3291","10.1021/jo800055e","","","0.71073","MoKα","","0.1478","0.0662","","","0.1235","0.1608","","","","","","0.993","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4023369","14.5527","0.0012","14.5527","0.0012","29.858","0.003","90","","90","","90","","6323.4","1","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C29.27 H42.41 N2.14 O5 S -","- C29.272 H42 N2.136 O5 S -","- C234.176 H336 N17.088 O40 S8 -","8","1","","Armel A. Agbodjan; Bob E. Cooley; Royston C. B. Copley; John A. Corfield; Roy C. Flanagan; Bobby N. Glover; Rossella Guidetti; David Haigh; Peter D. Howes; Mary M. Jackson; Richard T. Matsuoka; Katrina J. Medhurst; Alan Millar; Matthew J. Sharp; Martin J. Slater; Jennifer F. Toczko; Shiping Xie","Asymmetric Synthesis of an N-Acylpyrrolidine for Inhibition of HCV Polymerase","Journal of Organic Chemistry","2008","73","","3094","3102","10.1021/jo800062c","","","0.71073","MoKα","","0.0559","0.0397","","","0.0728","0.0801","","","","","","1.071","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023370","15.713","0.0007","10.6636","0.0005","14.8389","0.0007","90","","92.929","0.001","90","","2483.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Spiroanthracene","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Anupa A. Kumbhar; Avinash S. Kumbhar; Vedavati G. Puranik","An Unexpected Metal-Promoted Transformation Yields An Anthrylmethyl Spiroanthracene","Journal of Organic Chemistry","2008","73","","3559","3561","10.1021/jo702284t","","","0.71073","MoKα","","0.0717","0.0627","","","0.1411","0.1455","","","","","","1.186","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023371","10.269","0.001","13.329","0.001","16.469","0.001","90","","90","","90","","2254.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C88 H112 N16 O24 -","4","1","","Luelak Lomlim; Juergen Einsiedel; Frank W. Heinemann; Karsten Meyer; Peter Gmeiner","Proline Derived Spirobarbiturates as Highly Effective β-Turn Mimetics Incorporating Polar and Functionalizable Constraint Elements","Journal of Organic Chemistry","2008","73","","3608","3611","10.1021/jo702573z","","","0.71073","MoKα","","0.0346","0.0276","","","0.0645","0.068","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023372","10.5655","0.0006","10.4556","0.0006","27.2783","0.0015","90","","90","","90","","3013.4","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cl O2 S2 -","- C15 H11 Cl O2 S2 -","- C120 H88 Cl8 O16 S16 -","8","1","","Guodong Yin; Zihua Wang; Aihua Chen; Meng Gao; Anxin Wu; Yuanjiang Pan","A New Facile Approach to the Synthesis of 3-Methylthio-Substituted Furans, Pyrroles, Thiophenes, and Related Derivatives","Journal of Organic Chemistry","2008","73","","3377","3383","10.1021/jo702585s","","","0.71073","MoKα","","0.08","0.0681","","","0.1504","0.1566","","","","","","1.184","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023373","5.6636","0.0007","10.5669","0.0013","14.0635","0.0018","110.688","0.002","95.048","0.002","93.258","0.002","780.83","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 O S -","- C19 H18 O S -","- C38 H36 O2 S2 -","2","1","","Guodong Yin; Zihua Wang; Aihua Chen; Meng Gao; Anxin Wu; Yuanjiang Pan","A New Facile Approach to the Synthesis of 3-Methylthio-Substituted Furans, Pyrroles, Thiophenes, and Related Derivatives","Journal of Organic Chemistry","2008","73","","3377","3383","10.1021/jo702585s","","","0.71073","MoKα","","0.0765","0.0543","","","0.1276","0.1403","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023374","8.9488","0.0008","28.804","0.003","7.4957","0.0007","90","","112.811","0.001","90","","1781","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","1","","Guodong Yin; Zihua Wang; Aihua Chen; Meng Gao; Anxin Wu; Yuanjiang Pan","A New Facile Approach to the Synthesis of 3-Methylthio-Substituted Furans, Pyrroles, Thiophenes, and Related Derivatives","Journal of Organic Chemistry","2008","73","","3377","3383","10.1021/jo702585s","","","0.71073","MoKα","","0.101","0.0587","","","0.1379","0.1568","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023375","73.38","0.008","5.931","0.002","7.879","0.004","90","","90","0.04","90","","3429","2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H31 Br3 O8 -","- C36 H31 Br3 O8 -","- C144 H124 Br12 O32 -","4","1","","Douglass F. Taber; P. Ganapati Reddy; Kyle O. Arneson","A Potential Route to Neuroprostanes and Isoprostanes: Preparation of the Four Enantiomerically Pure Diastereomers of 13-F~4t~-NeuroP","Journal of Organic Chemistry","2008","73","","3467","3474","10.1021/jo702600v","","","0.71073","MoKα","","0.0461","0.0419","","","0.1018","0.1046","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023376","6.814","0.0005","7.477","0.0007","13.463","0.0009","90","","95.487","0.005","90","","682.77","0.09","122","1","122","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-benzyl-1-(4-nitrobenzenesulfonyl)aziridine","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C28 H24 N4 O8 S2 -","2","1","","François Crestey; Matthias Witt; Karla Frydenvang; Dan Staerk; Jerzy W. Jaroszewski; Henrik Franzyk","Microwave-Assisted Ring-Opening of Activated Aziridines with Resin-Bound Amines","Journal of Organic Chemistry","2008","73","","3566","3569","10.1021/jo702612u","","","0.71073","MoKα","","0.0236","0.0226","","","0.0596","0.0601","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023377","6.7612","0.0009","10.0124","0.0011","12.1054","0.0014","80.571","0.01","87.771","0.009","81.457","0.012","799.35","0.17","122","1","122","1","","","","","","","","5","P 1","P 1","1","","(S)-2-(cyclohexylmethyl)-1-(4-nitrobenzenesulfonyl)aziridine","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C30 H40 N4 O8 S2 -","2","2","","François Crestey; Matthias Witt; Karla Frydenvang; Dan Staerk; Jerzy W. Jaroszewski; Henrik Franzyk","Microwave-Assisted Ring-Opening of Activated Aziridines with Resin-Bound Amines","Journal of Organic Chemistry","2008","73","","3566","3569","10.1021/jo702612u","","","0.71073","MoKα","","0.035","0.0294","","","0.0677","0.0702","","","","","","1.047","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023378","6.7674","0.0008","11.3499","0.0013","13.1617","0.0015","104.469","0.002","91.025","0.002","105.824","0.002","937.76","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C46 H38 N2 O6 -","2","1","","Yun-Yun Yang; Wang-Ge Shou; Deng Hong; Yan-Guang Wang","Selective Synthesis of 4-Alkylidene-β-lactams and N,N'-Diarylamidines from Azides and Aryloxyacetyl Chlorides via a Ketenimine-Participating One-Pot Cascade Process","Journal of Organic Chemistry","2008","73","","3574","3577","10.1021/jo702733h","","","0.71073","MoKα","","0.084","0.0716","","","0.1932","0.2076","","","","","","1.02","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023379","7.82","0.002","13.703","0.004","10.394","0.003","90","","99.761","0.004","90","","1097.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 Cl2 N O3 -","- C24 H19 Cl2 N O3 -","- C48 H38 Cl4 N2 O6 -","2","1","","Yun-Yun Yang; Wang-Ge Shou; Deng Hong; Yan-Guang Wang","Selective Synthesis of 4-Alkylidene-β-lactams and N,N'-Diarylamidines from Azides and Aryloxyacetyl Chlorides via a Ketenimine-Participating One-Pot Cascade Process","Journal of Organic Chemistry","2008","73","","3574","3577","10.1021/jo702733h","","","0.71073","MoKα","","0.0666","0.0527","","","0.1341","0.1434","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023380","9.4476","0.0019","11.306","0.002","25.017","0.005","90","","90","","90","","2672.3","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O8 -","- C29 H34 O8 -","- C116 H136 O32 -","4","1","","W. Sean Fyvie; Mark W. Peczuh","Diastereoselectivity in Epoxidation of Carbohydrate Fused [13]-Macro-dilactones","Journal of Organic Chemistry","2008","73","","3626","3629","10.1021/jo800027y","","","0.71073","MoKα","","0.0954","0.0496","","","0.096","0.1096","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023381","12.589","0.0018","12.589","0.0018","29.785","0.006","90","","90","","120","","4088.1","1.2","173","2","173","2","","","","","","","","3","P 31","P 31","144","","","","- C29 H34 O9 -","- C29 H34 O9 -","- C174 H204 O54 -","6","2","","W. Sean Fyvie; Mark W. Peczuh","Diastereoselectivity in Epoxidation of Carbohydrate Fused [13]-Macro-dilactones","Journal of Organic Chemistry","2008","73","","3626","3629","10.1021/jo800027y","","","0.71073","MoKα","","0.1404","0.0626","","","0.1032","0.1247","","","","","","1.042","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023382","6.5095","0.001","10.8159","0.0016","19.672","0.003","90","","90","","90","","1385","0.4","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 N2 O -","- C12 H20 Cl2 N2 O -","- C48 H80 Cl8 N8 O4 -","4","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.0822","0.0479","","","0.0788","0.0883","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023383","6.7371","0.0009","9.4204","0.0017","11.7209","0.0015","101.987","0.013","92.628","0.013","98.121","0.012","718.19","0.19","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","1","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.0746","0.0458","","","0.0956","0.1081","","","","","","1.026","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023384","6.5387","0.0014","10.856","0.003","19.694","0.004","90","","90","","90","","1397.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 N2 O -","- C12 H20 Cl2 N2 O -","- C48 H80 Cl8 N8 O4 -","4","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.084","0.0474","","","0.0847","0.0967","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023385","6.7509","0.0009","9.4347","0.0016","11.7308","0.0016","101.897","0.012","92.696","0.014","98.098","0.01","721.59","0.18","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","- C26 H42 Cl4 N4 O -","1","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.0808","0.0487","","","0.105","0.1195","","","","","","1.067","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023386","6.851","0.006","13.858","0.011","13.766","0.012","90","","101.51","0.013","90","","1280.6","1.8","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C54 H64 N4 O8 S2 -","2","1","","Huan-Huan Zhang; Xiu-Qin Hu; Xiao Wang; Yong-Chun Luo; Peng-Fei Xu","A Convenient Route to Enantiopure 3-Aryl-2,3-diaminopropanoic Acids by Diastereoselective Mannich Reaction of Camphor-Based Tricyclic Iminolactone with Imines","Journal of Organic Chemistry","2008","73","","3634","3637","10.1021/jo8001408","","","0.71073","MoKα","","0.0545","0.0397","","","0.09","0.0967","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023387","10.0109","0.0007","12.1078","0.0009","20.4358","0.0015","90","","90","","90","","2477","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O4 -","- C25 H34 N2 O4 -","- C100 H136 N8 O16 -","4","1","","Huan-Huan Zhang; Xiu-Qin Hu; Xiao Wang; Yong-Chun Luo; Peng-Fei Xu","A Convenient Route to Enantiopure 3-Aryl-2,3-diaminopropanoic Acids by Diastereoselective Mannich Reaction of Camphor-Based Tricyclic Iminolactone with Imines","Journal of Organic Chemistry","2008","73","","3634","3637","10.1021/jo8001408","","","0.71073","MoKα","","0.05","0.0373","","","0.0968","0.1053","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023388","11.432","0.0012","15.4131","0.0016","14.3198","0.0015","90","","90.762","0.002","90","","2523","0.5","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C108 H128 N8 O16 S4 -","4","2","","Huan-Huan Zhang; Xiu-Qin Hu; Xiao Wang; Yong-Chun Luo; Peng-Fei Xu","A Convenient Route to Enantiopure 3-Aryl-2,3-diaminopropanoic Acids by Diastereoselective Mannich Reaction of Camphor-Based Tricyclic Iminolactone with Imines","Journal of Organic Chemistry","2008","73","","3634","3637","10.1021/jo8001408","","","0.71073","MoKα","","0.0607","0.0407","","","0.0903","0.1022","","","","","","1.041","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023389","21.9058","0.001","6.7373","0.0003","12.531","0.0006","90","","98.393","0.002","90","","1829.59","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 F N O2 -","- C20 H30 F N O2 -","- C80 H120 F4 N4 O8 -","4","1","","Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé","Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions","Journal of Organic Chemistry","2008","73","","3318","3327","10.1021/jo800222r","","","0.71073","MoKα","","0.0544","0.0454","","","0.1224","0.131","","","","","","1.042","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023390","29.491","0.005","10.35","0.0016","13.652","0.002","90","","90","","90","","4167.1","1.1","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H33 N O5 -","- C21 H33 N O5 -","- C168 H264 N8 O40 -","8","1","","Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé","Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions","Journal of Organic Chemistry","2008","73","","3318","3327","10.1021/jo800222r","","","0.71073","MoKα","","0.1013","0.0555","","","0.1214","0.1361","","","","","","0.974","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023391","22.6425","0.0013","6.5325","0.0004","23.7395","0.0013","90","","90","","90","","3511.4","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H26 N2 O4 -","- C18 H26 N2 O4 -","- C144 H208 N16 O32 -","8","2","","Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé","Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions","Journal of Organic Chemistry","2008","73","","3318","3327","10.1021/jo800222r","","","0.71073","MoKα","","0.094","0.0645","","","0.1437","0.1575","","","","","","0.999","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023392","11.1702","0.0011","12.0677","0.0011","14.2415","0.0013","88.983","0.002","71.954","0.002","71.686","0.002","1726.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H33 N O2 -","- C18 H33 N O2 -","- C72 H132 N4 O8 -","4","2","","Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé","Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions","Journal of Organic Chemistry","2008","73","","3318","3327","10.1021/jo800222r","","","0.71073","MoKα","","0.0807","0.0639","","","0.143","0.1507","","","","","","1.094","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023393","15.2113","0.0008","11.5987","0.0006","9.9385","0.0006","90","","99.454","0.001","90","","1729.65","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N O2 -","- C18 H33 N O2 -","- C72 H132 N4 O8 -","4","1","","Christopher E. Katz; Timothy Ribelin; Donna Withrow; Yashar Basseri; Anna K. Manukyan; Amy Bermudez; Christian G Nuera; Victor W. Day; Douglas R. Powell; Jennifer L. Poutsma; Jeffrey Aubé","Nonbonded, Attractive Cation-π Interactions in Azide-Mediated Asymmetric Ring Expansion Reactions","Journal of Organic Chemistry","2008","73","","3318","3327","10.1021/jo800222r","","","0.71073","MoKα","","0.0592","0.0489","","","0.1215","0.1284","","","","","","1.052","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023394","15.915","0.006","19.022","0.01","10.736","0.005","90","","90","","90","","3250","3","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(ethoxycarbonyl)-7-bromo-5,6,7,8-tetrahydro-5,6-dimethyl-8-oxonapthelene -2-carboxylic acid","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C128 H136 Br8 O40 -","8","1","","Wendy A. Loughlin; Ian D. Jenkins; Luke C. Henderson; Marc R. Campitelli; Peter C. Healy","Total Synthesis of (±)-Hyphodermins A and D","Journal of Organic Chemistry","2008","73","","3435","3440","10.1021/jo800227p","","","0.71069","MoKα","","0.132","0.0526","","","0.131","0.1621","","","","","","1.011","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023395","16.557","0.002","11.614","0.003","14.704","0.002","90","","97.413","0.012","90","","2803.8","0.9","295","","295","","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","1,3,6,9-tetrahydro-6,6-dimethyl-3,9-dioxonaptho[2,1-c]furan-1-yl acetate","","- C16 H14 O5 -","- C16 H14 O5 -","- C128 H112 O40 -","8","1","","Wendy A. Loughlin; Ian D. Jenkins; Luke C. Henderson; Marc R. Campitelli; Peter C. Healy","Total Synthesis of (±)-Hyphodermins A and D","Journal of Organic Chemistry","2008","73","","3435","3440","10.1021/jo800227p","","","0.71069","MoKα","","0.1529","0.0511","","","0.1316","0.1681","","","","","","0.991","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023396","9.897","0.0017","10.0381","0.0015","11.0211","0.0016","69.685","0.011","63.344","0.011","80.051","0.013","917.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 Si2 -","- C16 H21 N3 Si2 -","- C32 H42 N6 Si4 -","2","1","","Chenyi Yi; Carmen Blum; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Philippe Renaud; Samuel Leutwyler; Silvio Decurtins","An Efficient and Facile Synthesis of Highly Substituted 2,6-Dicyanoanilines","Journal of Organic Chemistry","2008","73","","3596","3599","10.1021/jo800260b","","","0.71073","MoKα","","0.0585","0.0372","","","0.0907","0.0958","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023397","18.849","0.002","7.479","0.001","19.864","0.002","90","","90","","90","","2800.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","","Angela Salcedo; Luc Neuville; Jieping Zhu","Palladium-Catalyzed Intramolecular C-Arylation of Benzylic Carbon: Synthesis of 3-Benzoxazolylisoindolinones by a Sequence of Ugi-4CR/Postfunctionalization","Journal of Organic Chemistry","2008","73","","3600","3603","10.1021/jo800266y","","","0.71069","MoKα","","0.0638","0.0397","","","0.0952","0.1076","","","","","","1.047","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023398","10.886","0.001","11.995","0.001","23.999","0.002","90","","90","","90","","3133.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C144 H128 N16 O24 -","8","2","","Angela Salcedo; Luc Neuville; Jieping Zhu","Palladium-Catalyzed Intramolecular C-Arylation of Benzylic Carbon: Synthesis of 3-Benzoxazolylisoindolinones by a Sequence of Ugi-4CR/Postfunctionalization","Journal of Organic Chemistry","2008","73","","3600","3603","10.1021/jo800266y","","","0.71069","MoKα","","0.0632","0.0396","","","0.0861","0.0986","","","","","","1.063","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023399","4.8667","0.0001","17.233","0.0006","20.4925","0.0008","90","","90","","90","","1718.66","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","","Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist","Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative","Journal of Organic Chemistry","2008","73","","3911","3914","10.1021/jo702566m","","","0.71073","MoKα","","0.0728","0.0614","","","0.1789","0.1889","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023400","14.4152","0.0008","11.3319","0.0007","17.8696","0.001","90","","112.636","0.003","90","","2694.2","0.3","100","2","100","2","","","","","","","synthesized","7","P 1 21 1","P 2yb","4","","","","- C22 H22 Cu F6 N2 O8 S2 -","- C22 H22 Cu F6 N2 O8 S2 -","- C88 H88 Cu4 F24 N8 O32 S8 -","4","2","","Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist","Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative","Journal of Organic Chemistry","2008","73","","3911","3914","10.1021/jo702566m","","x-ray","0.71073","MoKα","","0.0673","0.0575","","","0.1382","0.1441","","","","","","1.059","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023401","10.1629","0.0003","10.1911","0.0004","14.7036","0.0005","70.77","0.002","71.313","0.002","88.929","0.002","1355.66","0.08","100","2","100","2","","","","","","","synthesized","7","P 1","P 1","1","","","","- C22 H24 F6 N2 O8 S2 Zn -","- C22 H24 F6 N2 O8 S2 Zn -","- C44 H48 F12 N4 O16 S4 Zn2 -","2","2","","Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist","Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative","Journal of Organic Chemistry","2008","73","","3911","3914","10.1021/jo702566m","","x-ray","0.71073","MoKα","","0.042","0.0387","","","0.0971","0.0993","","","","","","1.028","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023402","7.0483","0.001","8.209","0.0014","16.012","0.003","87.624","0.013","86.823","0.012","88.264","0.013","923.9","0.3","110","","110","","","","","","","","","6","P 1","P 1","1","","(R)-1-(4-Bromo-benzenesulfonyl)-3,3-dimethyl-pyrrolidine-2-carboxylic acid amide","","- C15 H23 Br N2 O4 S -","- C15 H23 Br N2 O4 S -","- C30 H46 Br2 N4 O8 S2 -","2","2","","Jesus R. Medina; Charles W. Blackledge; Karl F. Erhard; Jeffrey M. Axten; William H. Miller","Benzyl 2-Cyano-3,3-Dimethyl-1-pyrrolidinecarboxylate, a Versatile Intermediate for the Synthesis of 3,3-Dimethylproline Derivatives","Journal of Organic Chemistry","2008","73","","3946","3949","10.1021/jo7027163","","","0.71073","MoKα","","0.0389","0.0302","","","0.0616","0.0651","","","","","","1.03","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023403","4.2404","0.0001","22.1197","0.0006","7.9235","0.0002","90","","100.23","0.002","90","","731.38","0.03","100","2","","","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C7 H7 N O4 -","- C7 H7 N O4 -","- C28 H28 N4 O16 -","4","1","","Patricia Martínez-Bescos; Fernando Cagide-Fagín; Luis F. Roa; Juan Carlos Ortiz-Lara; Krzysztof Kierus; Lidia Ozores-Viturro; Marta Fernández-González; Ricardo Alonso","Synthesis, Structure, and E-Z Isomerization of β-(Hetero)aryl-α,β-enals","Journal of Organic Chemistry","2008","73","","3745","3753","10.1021/jo702731b","","x-ray","0.7107","MoKα","","0.0385","0.0316","","","0.0656","0.0681","","","","","","1.063","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023404","11.4493","0.0001","5.0645","0.0001","13.6414","0.0001","90","","105.983","0.001","90","","760.42","0.02","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O3 S -","- C7 H7 N O3 S -","- C28 H28 N4 O12 S4 -","4","1","","Patricia Martínez-Bescos; Fernando Cagide-Fagín; Luis F. Roa; Juan Carlos Ortiz-Lara; Krzysztof Kierus; Lidia Ozores-Viturro; Marta Fernández-González; Ricardo Alonso","Synthesis, Structure, and E-Z Isomerization of β-(Hetero)aryl-α,β-enals","Journal of Organic Chemistry","2008","73","","3745","3753","10.1021/jo702731b","","x-ray","0.7107","MoKα","","0.0402","0.0361","","","0.1039","0.1062","","","","","","1.074","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023405","8.4333","0.0003","5.3908","0.0002","16.6554","0.0006","90","","103.556","0.002","90","","736.1","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","","Patricia Martínez-Bescos; Fernando Cagide-Fagín; Luis F. Roa; Juan Carlos Ortiz-Lara; Krzysztof Kierus; Lidia Ozores-Viturro; Marta Fernández-González; Ricardo Alonso","Synthesis, Structure, and E-Z Isomerization of β-(Hetero)aryl-α,β-enals","Journal of Organic Chemistry","2008","73","","3745","3753","10.1021/jo702731b","","x-ray","0.7107","MoKα","","0.0532","0.0352","","","0.0763","0.0825","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4023406","18.5294","0.0008","11.6563","0.0004","10.6108","0.0004","90","","95.899","0.002","90","","2279.63","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 N O Si -","- C20 H39 N O Si -","- C80 H156 N4 O4 Si4 -","4","1","","José M. Concellón; Humberto Rodríguez-Solla; Carmen Méjica; Elena G. Blanco; Santiago García-Granda; M. Rosario Díaz","CrCl~2~-Promoted Stereospecific and Stereoselective Alkyl- and Silylcyclopropanation of α,β-Unsaturated Amides","Journal of Organic Chemistry","2008","73","","3828","3836","10.1021/jo800103t","","","1.54184","CuKα","","0.1212","0.0579","","","0.1094","0.1329","","","","","","1.18","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023407","14.5059","0.0003","6.1744","0.0001","22.7859","0.0004","90","","92","0.002","90","","2039.58","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O Si -","- C22 H28 O Si -","- C88 H112 O4 Si4 -","4","1","","José M. Concellón; Humberto Rodríguez-Solla; Carmen Méjica; Elena G. Blanco; Santiago García-Granda; M. Rosario Díaz","CrCl~2~-Promoted Stereospecific and Stereoselective Alkyl- and Silylcyclopropanation of α,β-Unsaturated Amides","Journal of Organic Chemistry","2008","73","","3828","3836","10.1021/jo800103t","","","1.5418","CuKα","","0.0702","0.0345","","","0.0728","0.0853","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023408","8.368","0.005","13.83","0.007","23.727","0.013","90","","90","","90","","2746","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carbonitrile","","- C17 H21 N -","- C17 H21 N -","- C136 H168 N8 -","8","1","","Fraser F. Fleming; Guoqing Wei; Omar W. Steward","Cyclic Nitriles: Stereodivergent Addition-Alkylation-Cyclization to cis- and trans-Abietanes","Journal of Organic Chemistry","2008","73","","3674","3679","10.1021/jo8001062","","","0.71073","MoKα","","0.1159","0.0758","","","0.1943","0.2414","","","","","","1.079","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023409","7.519","0.002","10.2","0.002","21.656","0.003","93.79","0.002","95.328","0.002","110.804","0.003","1537.1","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H51 F24 N13 Ni2 O2 P4 -","- C46 H51 F24 N13 Ni2 O2 P4 -","- C46 H51 F24 N13 Ni2 O2 P4 -","1","0.5","","Zhenxing Xi; Bin Liu; Wanzhi Chen","Room-Temperature Kumada Cross-Coupling of Unactivated Aryl Chlorides Catalyzed by N-Heterocylic Carbene-Based Nickel(II) Complexes","Journal of Organic Chemistry","2008","73","","3954","3957","10.1021/jo800197u","","","0.71073","MoKα","","0.1361","0.0955","","","0.2373","0.2687","","","","","","1.02","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023410","9.476","0.006","9.948","0.008","10.069","0.008","70.22","0.03","83.19","0.03","78.26","0.03","873.2","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H15 I -","- C21 H15 I -","- C42 H30 I2 -","2","1","","Xiaobo Zhou; Huimin Zhang; Xin Xie; Yanzhong Li","Efficient Synthesis of 3-Iodoindenes via Lewis-Acid Catalyzed Friedel-Crafts Cyclization of Iodinated Allylic Alcohols","Journal of Organic Chemistry","2008","73","","3958","3960","10.1021/jo800232p","","","0.71073","MoKα","","0.0846","0.0689","","","0.2197","0.2445","","","","","","1.043","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023411","15.041","0.003","7.5421","0.0015","18.827","0.004","90","","109.17","0.03","90","","2017.4","0.8","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O5 S -","- C21 H21 N3 O5 S -","- C84 H84 N12 O20 S4 -","4","1","","Stéphane Dufresne; W. G. Skene","Unsymmetric Pyrrole, Thiophene, and Furan-Conjugated Comonomers Prepared Using Azomethine Connections: Potential New Monomers for Alternating Homocoupled Products","Journal of Organic Chemistry","2008","73","","3859","3866","10.1021/jo8002503","","","1.54178","CuKα","","0.1529","0.0775","","","0.156","0.1875","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023412","8.0259","0.0005","10.5149","0.0006","46.432","0.003","90","","90","","90","","3918.5","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 N2 O5 S2 -","- C20 H18 N2 O5 S2 -","- C160 H144 N16 O40 S16 -","8","2","","Stéphane Dufresne; W. G. Skene","Unsymmetric Pyrrole, Thiophene, and Furan-Conjugated Comonomers Prepared Using Azomethine Connections: Potential New Monomers for Alternating Homocoupled Products","Journal of Organic Chemistry","2008","73","","3859","3866","10.1021/jo8002503","","","1.54178","CuKα","","0.0413","0.0383","","","0.1008","0.1023","","","","","","1.025","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023413","10.3209","0.0006","17.6689","0.0009","12.0767","0.0007","90","","98.913","0.005","90","","2175.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H31 N5 O -","- C23 H33 N5 O -","- C92 H132 N20 O4 -","4","1","","Ahmad Shaabani; Ali Maleki; Hamid Mofakham; Jafar Moghimi-Rad","A Novel One-Pot Pseudo-Five-Component Synthesis of 4,5,6,7-Tetrahydro-1H-1,4-diazepine-5-carboxamide Derivatives","Journal of Organic Chemistry","2008","73","","3925","3927","10.1021/jo8002612","","","0.71073","MoKα","","0.0918","0.083","","","0.179","0.1847","","","","","","1.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023414","13.0636","0.0007","16.6814","0.0009","20.7723","0.0011","90","","106.799","0.001","90","","4333.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H34 Cl4 N2 Pd -","- C55 H34 Cl4 N2 Pd -","- C220 H136 Cl16 N8 Pd4 -","4","1","","Eric Bosch; Charles L. Barnes; Nathan L. Brennan; Galen L. Eakins; Bryan E. Breyfogle","Cation-Induced π-Stacking","Journal of Organic Chemistry","2008","73","","3931","3934","10.1021/jo800343f","","","0.71073","MoKα","","0.0893","0.046","","","0.1096","0.1275","","","","","","1.022","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023415","10.195","0.006","8.387","0.005","13.54","0.009","90","","108.076","0.017","90","","1100.6","1.1","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 O2 -","- C28 H30 O2 -","- C56 H60 O4 -","2","1","","Tomohiro Taniguchi; Taka-aki Fukuba; Shuhei Nakatsuka; Shuichi Hayase; Motoi Kawatsura; Hidemitsu Uno; Toshiyuki Itoh","Linker-Oriented Design of Binaphthol Derivatives for Optical Resolution Using Lipase-Catalyzed Reaction","Journal of Organic Chemistry","2008","73","","3875","3884","10.1021/jo800351h","","","0.7107","MoKα","","0.0684","0.053","","","0.1219","0.1311","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023416","6.065","0.001","5.9654","0.0009","14.695","0.002","90","","91.142","0.005","90","","531.55","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","","Saumen Hajra; Aswini Kumar Giri","Organocatalytic and Enantioselective Synthesis of β-(Hydroxyalkyl)-γ-Butyrolactones","Journal of Organic Chemistry","2008","73","","3935","3937","10.1021/jo8005733","","","0.71073","MoKα","","0.0645","0.0444","","","0.102","0.1125","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023417","8.2085","0.0013","7.4494","0.0012","9.1771","0.0014","90","","101.037","0.002","90","","550.79","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C26 H22 N2 O6 -","2","1","","Ni Yan; Xiaozhong Liu; Mahesh K. Pallerla; Joseph M. Fox","Synthesis of Stable Derivatives of Cycloprop-2-ene Carboxylic Acid","Journal of Organic Chemistry","2008","73","","4283","4286","10.1021/jo800042w","","","0.71073","MoKα","","0.042","0.0408","","","0.1053","0.1063","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023418","10.66","0.004","10.239","0.004","11.556","0.004","90","","102.173","0.004","90","","1233","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Ni Yan; Xiaozhong Liu; Mahesh K. Pallerla; Joseph M. Fox","Synthesis of Stable Derivatives of Cycloprop-2-ene Carboxylic Acid","Journal of Organic Chemistry","2008","73","","4283","4286","10.1021/jo800042w","","","0.71073","MoKα","","0.04","0.0382","","","0.1071","0.1091","","","","","","1.015","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023419","19.998","0.004","8.236","0.0017","17.648","0.004","90","","115.157","0.002","90","","2631","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","2","","Ni Yan; Xiaozhong Liu; Mahesh K. Pallerla; Joseph M. Fox","Synthesis of Stable Derivatives of Cycloprop-2-ene Carboxylic Acid","Journal of Organic Chemistry","2008","73","","4283","4286","10.1021/jo800042w","","","0.71073","MoKα","","0.0445","0.0397","","","0.099","0.1047","","","","","","1.03","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023420","12.654","0.0002","18.214","0.0003","19.158","0.0003","103.584","0.001","101.389","0.001","101.895","0.001","4057.1","0.11","293","2","150","2","","","","","","","","5","P -1","-P 1","2","diRh26","","","- C83 H108 N4 O8 Rh2 -","- C83 H108 N4 O8 Rh2 -","- C166 H216 N8 O16 Rh4 -","2","1","","Alexandre F. Trindade; Pedro M. P. Gois; Luís F. Veiros; Vânia André; M. Teresa Duarte; Carlos A. M. Afonso; Stephen Cack; F. Geoffrey; N. Cloke","Axial Coordination of NHC Ligands on Dirhodium(II) Complexes: Generation of a New Family of Catalysts","Journal of Organic Chemistry","2008","73","","4076","4086","10.1021/jo800087n","","","0.71069","MoKα","","0.0815","0.0434","","","0.0965","0.1065","","","","","","1.037","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023421","11.256","0.005","12.538","0.005","15.367","0.005","69.613","0.005","84.172","0.005","77.614","0.005","1984.7","1.3","150","2","293","2","","","","","","","","5","P -1","-P 1","2","diRh27","","","- C42 H44 N2 O4 Rh -","- C42 H44 N2 O4 Rh -","- C84 H88 N4 O8 Rh2 -","2","1","","Alexandre F. Trindade; Pedro M. P. Gois; Luís F. Veiros; Vânia André; M. Teresa Duarte; Carlos A. M. Afonso; Stephen Cack; F. Geoffrey; N. Cloke","Axial Coordination of NHC Ligands on Dirhodium(II) Complexes: Generation of a New Family of Catalysts","Journal of Organic Chemistry","2008","73","","4076","4086","10.1021/jo800087n","","","0.71069","MoKα","","0.0943","0.0673","","","0.1707","0.2022","","","","","","1.166","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023422","16.992","0.006","16.649","0.004","18.948","0.005","90","","116.3","0.008","90","","4806","2","150","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diRh29","","","- C49 H64 N2 O8 Rh2 -","- C49 H64 N2 O8 Rh2 -","- C196 H256 N8 O32 Rh8 -","4","1","","Alexandre F. Trindade; Pedro M. P. Gois; Luís F. Veiros; Vânia André; M. Teresa Duarte; Carlos A. M. Afonso; Stephen Cack; F. Geoffrey; N. Cloke","Axial Coordination of NHC Ligands on Dirhodium(II) Complexes: Generation of a New Family of Catalysts","Journal of Organic Chemistry","2008","73","","4076","4086","10.1021/jo800087n","","","0.71069","MoKα","","0.2208","0.0853","","","0.1521","0.2013","","","","","","0.87","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023423","17.537","0.008","12.284","0.007","19.233","0.007","90","","105.54","0.002","90","","3992","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diRhTHF","","","- C39 H56 N2 O9 Rh2 -","- C39 H56 N2 O9 Rh2 -","- C156 H224 N8 O36 Rh8 -","4","1","","Alexandre F. Trindade; Pedro M. P. Gois; Luís F. Veiros; Vânia André; M. Teresa Duarte; Carlos A. M. Afonso; Stephen Cack; F. Geoffrey; N. Cloke","Axial Coordination of NHC Ligands on Dirhodium(II) Complexes: Generation of a New Family of Catalysts","Journal of Organic Chemistry","2008","73","","4076","4086","10.1021/jo800087n","","","0.71069","MoKα","","0.1715","0.0647","","","0.0963","0.1186","","","","","","0.887","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023424","12.659","0.004","15.502","0.002","18.822","0.003","90","","90","","90","","3693.6","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","diRh30","","","- C35 H50 N2 O8 Rh2 -","- C35 H50 N2 O8 Rh2 -","- C140 H200 N8 O32 Rh8 -","4","1","","Alexandre F. Trindade; Pedro M. P. Gois; Luís F. Veiros; Vânia André; M. Teresa Duarte; Carlos A. M. Afonso; Stephen Cack; F. Geoffrey; N. Cloke","Axial Coordination of NHC Ligands on Dirhodium(II) Complexes: Generation of a New Family of Catalysts","Journal of Organic Chemistry","2008","73","","4076","4086","10.1021/jo800087n","","","0.71069","MoKα","","0.0591","0.0422","","","0.073","0.0779","","","","","","0.955","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023425","14.239","0.003","10.5728","0.0019","22.025","0.004","90","","103.695","0.005","90","","3221.4","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Stilbene 1,1-bi(Benzocyclobutylidene)","","","- C40 H40 O7 -","- C36 H32 O6 -","- C144 H128 O24 -","4","1","","Kenneth K. Laali; Takao Okazaki; Scott D. Bunge; Dieter Lenoir","Stable Ion and Electrophilic Chemistry of the Sterically Crowded Stilbene 1,1'-Bi(benzocyclobutenylidene) and Its Derivatives","Journal of Organic Chemistry","2008","73","","4092","4100","10.1021/jo800175d","","","0.71073","MoKα","","0.0926","0.0501","","","0.1083","0.1185","","","","","","0.94","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023426","16.4478","0.0008","6.2864","0.0003","16.1368","0.0008","90","","95.529","0.002","90","","1660.74","0.14","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H25 N O4 Si -","- C14 H25 N O4 Si -","- C56 H100 N4 O16 Si4 -","4","1","","Carmen R. Alonso-Cruz; Alan R. Kennedy; María S. Rodríguez; Ernesto Suárez","Synthesis of Polyhydroxylated 2H-Azirines and 2-Halo-2H-azirines from 3-Azido-2,3-dideoxyhexopyranoses by Alkoxyl Radical Fragmentation","Journal of Organic Chemistry","2008","73","","4116","4122","10.1021/jo800182y","","","0.71073","MoKα","","0.0614","0.0413","","","0.0734","0.0798","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023427","4.427","0.002","41.337","0.019","8.158","0.004","90","","90.115","0.005","90","","1492.9","1.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 I N3 O4 -","- C13 H12 I N3 O4 -","- C52 H48 I4 N12 O16 -","4","2","","Carmen R. Alonso-Cruz; Alan R. Kennedy; María S. Rodríguez; Ernesto Suárez","Synthesis of Polyhydroxylated 2H-Azirines and 2-Halo-2H-azirines from 3-Azido-2,3-dideoxyhexopyranoses by Alkoxyl Radical Fragmentation","Journal of Organic Chemistry","2008","73","","4116","4122","10.1021/jo800182y","","","0.6911","synchrotron","","0.0767","0.0675","","","0.1637","0.1718","","","","","","1.042","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023428","25.7951","0.001","14.0364","0.0005","22.2949","0.0009","90","","94.551","0.002","90","","8046.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H47 Cl2 F3 N3 O2 Ru -","- C42 H47 Cl2 F3 N3 O2 Ru -","- C336 H376 Cl16 F24 N24 O16 Ru8 -","8","1","","Diane Rix; Fréderic Caijo; Isabelle Lauret; Fabien Boeda; Hervé Clavier; Steven P. Nolan; Marc Mauduit","Aminocarbonyl Group Containing Hoveyda-Grubbs-Type Complexes: Synthesis and Activity in Olefin Metathesis Transformations","Journal of Organic Chemistry","2008","73","","4225","4228","10.1021/jo800203d","","","0.71073","MoKα","","0.0368","0.0306","","","0.0783","0.0834","","","","","","1.039","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023429","11.2362","0.0001","12.6036","0.0002","16.0008","0.0002","92.786","0.001","90.877","0.001","104.381","0.001","2191.5","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H57 Cl6 N3 O2 Ru -","- C44 H57 Cl6 N3 O2 Ru -","- C88 H114 Cl12 N6 O4 Ru2 -","2","1","","Diane Rix; Fréderic Caijo; Isabelle Lauret; Fabien Boeda; Hervé Clavier; Steven P. Nolan; Marc Mauduit","Aminocarbonyl Group Containing Hoveyda-Grubbs-Type Complexes: Synthesis and Activity in Olefin Metathesis Transformations","Journal of Organic Chemistry","2008","73","","4225","4228","10.1021/jo800203d","","","0.71073","MoKα","","0.03","0.0269","","","0.0731","0.0752","","","","","","1.036","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023430","8.7851","0.0005","16.197","0.001","24.2681","0.001","90","","90","","90","","3453.2","0.3","273","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 Cl2 N3 O3 Ru -","- C36 H47 Cl2 N3 O3 Ru -","- C144 H188 Cl8 N12 O12 Ru4 -","4","1","","Diane Rix; Fréderic Caijo; Isabelle Lauret; Fabien Boeda; Hervé Clavier; Steven P. Nolan; Marc Mauduit","Aminocarbonyl Group Containing Hoveyda-Grubbs-Type Complexes: Synthesis and Activity in Olefin Metathesis Transformations","Journal of Organic Chemistry","2008","73","","4225","4228","10.1021/jo800203d","","","0.71073","MoKα","","0.0732","0.0486","","","0.0793","0.0879","","","","","","1.006","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023431","9.7311","0.001","18.404","0.002","13.957","0.002","90","","99.59","0.002","90","","2464.6","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","4","","David Bernier; Alexander J. Blake; Simon Woodward","Improved Procedure for the Synthesis of Enamine N-Oxides","Journal of Organic Chemistry","2008","73","","4229","4232","10.1021/jo8002166","","","0.71073","MoKα","","0.115","0.0918","","","0.236","0.261","","","","","","1.03","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023432","14.6895","0.0008","9.5583","0.0006","13.6237","0.0009","90","","112.079","0.003","90","","1772.58","0.19","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[2-(2-Phenyl-2-pyrrolidin-1-yl-vinyl)-benzofuran-3-yl]-ethanone","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Martin Tiano; Philippe Belmont","Rapid Access to Amino-Substituted Quinoline, (Di)Benzofuran, and Carbazole Heterocycles through an Aminobenzannulation Reaction","Journal of Organic Chemistry","2008","73","","4101","4109","10.1021/jo800249f","","","0.71069","MoKα","","0.1176","0.047","","0.1093","0.0487","0.0549","","","","","","1.0229","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023433","5.6815","0.0003","10.3788","0.001","28.193","0.003","90","","90","","90","","1662.5","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 S -","- C17 H22 O4 S -","- C68 H88 O16 S4 -","4","1","","Joy Krishna Maity; Ramprasad Ghosh; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Introduction of Vinyl and Hydroxymethyl Functionalities at C-4 of Glucose-Derived Substrates: Synthesis of Spirocyclic, Bicyclic, and Tricyclic Nucleosides","Journal of Organic Chemistry","2008","73","","4305","4308","10.1021/jo8002826","","","0.71073","MoKα","","0.0582","0.0427","","","0.0881","0.0927","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023434","5.5368","0.0004","14.889","0.004","15.8296","0.0014","90","","90","","90","","1304.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O7 S -","- C11 H18 O7 S -","- C44 H72 O28 S4 -","4","1","","Joy Krishna Maity; Ramprasad Ghosh; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Introduction of Vinyl and Hydroxymethyl Functionalities at C-4 of Glucose-Derived Substrates: Synthesis of Spirocyclic, Bicyclic, and Tricyclic Nucleosides","Journal of Organic Chemistry","2008","73","","4305","4308","10.1021/jo8002826","","","0.71073","MoKα","","0.0319","0.0279","","","0.0706","0.0726","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023435","8.9172","0.0013","13.684","0.003","18.767","0.003","70.989","0.008","76.628","0.006","74.113","0.008","2056.7","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H100 N4 O12 -","- C100 H100 N4 O12 -","- C100 H100 N4 O12 -","1","0.5","","Shin-ichiro Kato; Yasuhiro Nonaka; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Novel Pyromellitic Diimide-Based Macrocycle with a Linear π-Electronic System and Bis(phenylethynyl)pyromellitic Diimide: Syntheses, Structures, Photophysical Properties, and Redox Characteristics","Journal of Organic Chemistry","2008","73","","4063","4075","10.1021/jo800283r","","","0.71075","MoKα","","0.073","0.0501","","","0.1134","0.1247","","","","","","1.048","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023436","10.251","0.001","11.914","0.001","12.974","0.001","95.109","0.003","104.053","0.003","102.185","0.004","1485.9","0.3","113.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 N2 O4 -","- C38 H33 N2 O4 -","- C76 H66 N4 O8 -","2","1","","Shin-ichiro Kato; Yasuhiro Nonaka; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Novel Pyromellitic Diimide-Based Macrocycle with a Linear π-Electronic System and Bis(phenylethynyl)pyromellitic Diimide: Syntheses, Structures, Photophysical Properties, and Redox Characteristics","Journal of Organic Chemistry","2008","73","","4063","4075","10.1021/jo800283r","","","0.7107","MoKα","","","0.0579","","","","0.1406","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023437","11.0544","0.0017","11.7383","0.0019","12.414","0.003","97.034","0.01","94.325","0.009","90.674","0.006","1593.8","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N3 O4 -","- C40 H35 N3 O4 -","- C80 H70 N6 O8 -","2","1","","Shin-ichiro Kato; Yasuhiro Nonaka; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Novel Pyromellitic Diimide-Based Macrocycle with a Linear π-Electronic System and Bis(phenylethynyl)pyromellitic Diimide: Syntheses, Structures, Photophysical Properties, and Redox Characteristics","Journal of Organic Chemistry","2008","73","","4063","4075","10.1021/jo800283r","","","0.71075","MoKα","","0.0522","0.0453","","","0.1191","0.1261","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023438","10.3736","0.0016","11.7914","0.0017","13.109","0.003","92.585","0.009","105.107","0.009","102.001","0.007","1505.9","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H66 N4 O10 -","- C76 H66 N4 O10 -","- C76 H66 N4 O10 -","1","0.5","","Shin-ichiro Kato; Yasuhiro Nonaka; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Novel Pyromellitic Diimide-Based Macrocycle with a Linear π-Electronic System and Bis(phenylethynyl)pyromellitic Diimide: Syntheses, Structures, Photophysical Properties, and Redox Characteristics","Journal of Organic Chemistry","2008","73","","4063","4075","10.1021/jo800283r","","","0.71075","MoKα","","0.059","0.044","","","0.1204","0.1254","","","","","","1.066","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023439","5.622","0.0013","12.437","0.004","12.453","0.003","91.915","0.014","93.75","0.01","97.711","0.014","860.2","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H35 N2 O5 -","- C44 H35 N2 O5 -","- C44 H35 N2 O5 -","1","0.5","","Shin-ichiro Kato; Yasuhiro Nonaka; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Novel Pyromellitic Diimide-Based Macrocycle with a Linear π-Electronic System and Bis(phenylethynyl)pyromellitic Diimide: Syntheses, Structures, Photophysical Properties, and Redox Characteristics","Journal of Organic Chemistry","2008","73","","4063","4075","10.1021/jo800283r","","","0.71075","MoKα","","0.0506","0.0447","","","0.1183","0.121","","","","","","1.106","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023440","12.753","0.003","5.7366","0.0011","27.35","0.005","90","","93.27","0.009","90","","1997.7","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 N4 O4 -","- C50 H42 N4 O4 -","- C100 H84 N8 O8 -","2","0.5","","Shin-ichiro Kato; Yasuhiro Nonaka; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Novel Pyromellitic Diimide-Based Macrocycle with a Linear π-Electronic System and Bis(phenylethynyl)pyromellitic Diimide: Syntheses, Structures, Photophysical Properties, and Redox Characteristics","Journal of Organic Chemistry","2008","73","","4063","4075","10.1021/jo800283r","","","0.71075","MoKα","","0.0682","0.0525","","","0.13","0.1393","","","","","","1.067","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023441","25.7719","0.0003","9.74588","0.00016","18.1938","0.0002","90","","95.8354","0.0012","90","","4546.05","0.1","100","2","100","2","","","101","","","","synthesis","3","C 1 2 1","C 2y","5","trans,trans 1,3-bis-styrylepoxycalix[4]arene","5,17-bis-[(2R,3R)-3-phenyl-2-oxiranyl)-25,26,27,28-tetrapropyloxycalix[4]arene","","- C56 H60 O6 -","- C56 H60 O6 -","- C224 H240 O24 -","4","1","","Carlo Bonini; Lucia Chiummiento; Maria Funicello; Maria Teresa Lopardo; Paolo Lupattelli; Alessandro Laurita; Andrea Cornia","Novel Chiral Calix[4]arenes by Direct Asymmetric Epoxidation Reaction","Journal of Organic Chemistry","2008","73","","4233","4236","10.1021/jo800301m","","","1.54184","CuKα","","0.0422","0.034","","","0.0939","0.1022","","","","","","1.094","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023442","8.083","0.0004","9.186","0.0004","14.877","0.0006","90","","90","","90","","1104.62","0.09","290","1","290","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O3 Se -","- C10 H12 N2 O3 Se -","- C40 H48 N8 O12 Se4 -","4","1","","Dilip K. Tosh; Won Jun Choi; Hea Ok Kim; Yoonji Lee; Shantanu Pal; Xiyan Hou; Jungwon Choi; Sun Choi; Lak Shin Jeong","Stereoselective Synthesis and Conformational Study of Novel 2',3'-Didehydro-2',3'-dideoxy-4'-selenonucleosides","Journal of Organic Chemistry","2008","73","","4259","4262","10.1021/jo8003277","","","0.71073","MoKα","","0.0709","0.0358","","","0.0541","0.0795","","","","","","1.27","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023443","4.95195","0.00012","13.432","0.0003","16.9083","0.0005","90","","90","","90","","1124.65","0.05","293","2","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O5 Se -","- C9 H12 N2 O5 Se -","- C36 H48 N8 O20 Se4 -","4","1","","Dilip K. Tosh; Won Jun Choi; Hea Ok Kim; Yoonji Lee; Shantanu Pal; Xiyan Hou; Jungwon Choi; Sun Choi; Lak Shin Jeong","Stereoselective Synthesis and Conformational Study of Novel 2',3'-Didehydro-2',3'-dideoxy-4'-selenonucleosides","Journal of Organic Chemistry","2008","73","","4259","4262","10.1021/jo8003277","","","0.71073","MoKα","","0.0297","0.0273","","","0.0621","0.0642","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023444","13.8742","0.0016","7.6796","0.0009","15.197","0.0015","90","","111.993","0.004","90","","1501.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H42 Br N O5 S -","- C31 H42 Br N O5 S -","- C62 H84 Br2 N2 O10 S2 -","2","1","","Paul B. Hurley; Gregory R. Dake","Synthetic Studies toward Halichlorine: Complex Azaspirocycle Formation with Use of an NBS-Promoted Semipinacol Reaction","Journal of Organic Chemistry","2008","73","","4131","4138","10.1021/jo800336k","","","0.71073","MoKα","","0.0418","0.0298","","","0.0598","0.0623","","","","","","0.98","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023445","9.1475","0.0005","24.817","0.002","9.313","0.0006","90","","105.812","0.002","90","","2034.2","0.2","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","circumdatin A","","","- C22 H23 N3 O6 -","- C22 H19 N3 O6 -","- C88 H76 N12 O24 -","4","2","","Ryuhei Ookura; Keijiro Kito; Takashi Ooi; Michio Namikoshi; Takenori Kusumi","Structure Revision of Circumdatins A and B, Benzodiazepine Alkaloids Produced by Marine Fungus Aspergillus ostianus, by X-ray Crystallography","Journal of Organic Chemistry","2008","73","","4245","4247","10.1021/jo800348d","","","0.7107","MoKα","","","0.036","","","","0.088","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023446","9.6004","0.0008","8.4072","0.0006","21.327","0.002","90","","93.195","0.003","90","","1718.7","0.2","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","circumdatin B","","","- C40 H36 N6 O9 -","- C40 H36 N6 O9 -","- C80 H72 N12 O18 -","2","1","","Ryuhei Ookura; Keijiro Kito; Takashi Ooi; Michio Namikoshi; Takenori Kusumi","Structure Revision of Circumdatins A and B, Benzodiazepine Alkaloids Produced by Marine Fungus Aspergillus ostianus, by X-ray Crystallography","Journal of Organic Chemistry","2008","73","","4245","4247","10.1021/jo800348d","","","0.7107","MoKα","","","0.048","","","","0.107","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023447","13.5686","0.0005","7.0838","0.0003","16.6718","0.0006","90","","103.212","0.002","90","","1560.03","0.1","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 O4 -","- C38 H36 O4 -","- C76 H72 O8 -","2","0.5","","Hyeon Mo Cho; Haim Weissman; Jeffrey S. Moore","Synthetic Applications with Use of a Silica-Supported Alkyne Metathesis Catalyst","Journal of Organic Chemistry","2008","73","","4256","4258","10.1021/jo8003919","","","0.71073","MoKα","","0.0458","0.0354","","","0.093","0.1","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023448","8.421","0.0009","23.793","0.003","28.702","0.003","104.861","0.003","97.562","0.003","97.425","0.003","5429.8","1.1","273","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H84 O6 -","- C60 H84 O6 -","- C240 H336 O24 -","4","2","","Hyeon Mo Cho; Haim Weissman; Jeffrey S. Moore","Synthetic Applications with Use of a Silica-Supported Alkyne Metathesis Catalyst","Journal of Organic Chemistry","2008","73","","4256","4258","10.1021/jo8003919","","","0.71073","MoKα","","0.196","0.0685","","","0.1564","0.2078","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4023449","31.351","0.004","31.351","0.004","7.6711","0.0013","90","","90","","120","","6529.8","1.7","150","","150","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H10 F3 N O5 S -","- C12 H10 F3 N O5 S -","- C216 H180 F54 N18 O90 S18 -","18","1","","Zhenglai Fang; Yunlong Song; Taradas Sarkar; Ernest Hamel; William E. Fogler; Gregory E. Agoston; Phillip E. Fanwick; Mark Cushman","Stereoselective Synthesis of 3,3-Diarylacrylonitriles as Tubulin Polymerization Inhibitors","Journal of Organic Chemistry","2008","73","","4241","4244","10.1021/jo800428b","","","0.71073","MO-Kα","","0.078","0.069","","","0.164","0.171","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023450","8.144","0.0006","9.1949","0.0005","11.0043","0.0008","86.161","0.003","77.488","0.003","84.005","0.003","799.23","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Zhenglai Fang; Yunlong Song; Taradas Sarkar; Ernest Hamel; William E. Fogler; Gregory E. Agoston; Phillip E. Fanwick; Mark Cushman","Stereoselective Synthesis of 3,3-Diarylacrylonitriles as Tubulin Polymerization Inhibitors","Journal of Organic Chemistry","2008","73","","4241","4244","10.1021/jo800428b","","","0.71073","MO-Kα","","0.068","0.045","","","0.116","0.128","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023451","10.913","0.006","5.673","0.003","17.155","0.009","90","","105.721","0.006","90","","1022.4","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C44 H60 O12 S2 -","2","1","","Douglass F. Taber; Jean-Michel Joerger","Synthesis of Bis-18,18'-desmethyl Ritterazine N","Journal of Organic Chemistry","2008","73","","4155","4159","10.1021/jo800454w","","","0.71073","MoKα","","0.0361","0.0338","","","0.0827","0.0851","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023452","10.738","0.004","10.238","0.003","11.18","0.004","90","","97.917","0.006","90","","1217.4","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Br N O3 S -","- C26 H30 Br N O3 S -","- C52 H60 Br2 N2 O6 S2 -","2","1","","Wenzeng Duan; Yudao Ma; Houqi Xia; Xueying Liu; Qingshuang Ma; Junshan Sun","Design and Synthesis of Planar Chiral Heterocyclic Carbene Precursors Derived from [2.2]Paracyclophane","Journal of Organic Chemistry","2008","73","","4330","4333","10.1021/jo800468x","","","0.71073","MoKα","","0.0704","0.0553","","","0.1487","0.1616","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023453","10.93","0.002","15.33","0.003","24.43","0.005","90","","90","","90","","4093.4","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H47 B F4 N2 -","- C55 H47 B F4 N2 -","- C220 H188 B4 F16 N8 -","4","1","","Wenzeng Duan; Yudao Ma; Houqi Xia; Xueying Liu; Qingshuang Ma; Junshan Sun","Design and Synthesis of Planar Chiral Heterocyclic Carbene Precursors Derived from [2.2]Paracyclophane","Journal of Organic Chemistry","2008","73","","4330","4333","10.1021/jo800468x","","","0.71073","MoKα","","0.0533","0.0435","","","0.1215","0.1337","","","","","","1.006","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023454","20.5404","0.0013","7.9786","0.0005","14.1152","0.001","90","","105.377","0.005","90","","2230.4","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","KOB12","","","- C24 H27 N3 O7 -","- C24 H27 N3 O7 -","- C96 H108 N12 O28 -","4","1","","Cynthia B. Gilley; Yoshihisa Kobayashi","2-Nitrophenyl Isocyanide as a Versatile Convertible Isocyanide: Rapid Access to a Fused γ-Lactam β-Lactone Bicycle","Journal of Organic Chemistry","2008","73","","4198","4204","10.1021/jo800486k","","","1.54178","CuKα","","0.0693","0.049","","","0.1034","0.1145","","","","","","1.021","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4023455","11.3105","0.001","11.3912","0.001","14.7647","0.0013","89.484","0.002","75.542","0.002","77.474","0.002","1796.1","0.3","173","2","273","2","","","","","","","","4","P -1","-P 1","2","N,N'-dioxide 2","1,8-Bis(3,3'-(3-t-butyl)-9,9'-diacridyl)naphthalene N,N'-dioxide","","- C46 H44 N2 O3 -","- C46 H44 N2 O3 -","- C92 H88 N4 O6 -","2","1","","Shuanglong Liu; John Paul C. Pestano; Christian Wolf","Enantioselective Fluorescence Sensing of Chiral α-Amino Alcohols","Journal of Organic Chemistry","2008","73","","4267","4270","10.1021/jo800506a","","","0.71073","MoKα","","0.1146","0.0629","","","0.1473","0.1749","","","","","","1.018","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023456","19.0446","0.0017","6.1113","0.0005","15.7256","0.0014","90","","107.311","0.001","90","","1747.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 I O2 -","- C21 H19 I O2 -","- C84 H76 I4 O8 -","4","1","","Shu-Guang Wen; Wei-Min Liu; Yong-Min Liang","Electrophile-Induced Cyclization/Migration Reaction for the Synthesis of 2,3-Dihydro-5-iodopyran-4-one","Journal of Organic Chemistry","2008","73","","4342","4344","10.1021/jo800556e","","","0.71073","MoKα","","0.043","0.0327","","","0.068","0.0736","","","","","","1.008","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023457","10.264","0.0012","10.5302","0.0012","11.5807","0.0013","68.234","0.002","66.301","0.002","61.125","0.002","978.94","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C44 H60 N4 O4 -","2","1","","Jonathan Clayden; Hazel Turner; Madeleine Helliwell; Elizabeth Moir","N,N'-Diarylureas: A New Family of Atropisomers Exhibiting Highly Diastereoselective Reactivity","Journal of Organic Chemistry","2008","73","","4415","4423","10.1021/jo702706c","","","0.71073","MoKα","","0.0547","0.0419","","","0.1141","0.1184","","","","","","1.076","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023458","9.656","0.002","11.371","0.002","19.785","0.004","77.403","0.003","87.15","0.004","89.897","0.004","2117.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O2 -","- C25 H28 N2 O2 -","- C100 H112 N8 O8 -","4","2","","Jonathan Clayden; Hazel Turner; Madeleine Helliwell; Elizabeth Moir","N,N'-Diarylureas: A New Family of Atropisomers Exhibiting Highly Diastereoselective Reactivity","Journal of Organic Chemistry","2008","73","","4415","4423","10.1021/jo702706c","","","0.71073","MoKα","","0.0746","0.0646","","","0.1642","0.1702","","","","","","1.048","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023459","10.538","0.0011","11.495","0.0011","17.328","0.0017","106.016","0.002","94.723","0.002","97.553","0.002","1984.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C88 H120 N8 O8 -","4","2","","Jonathan Clayden; Hazel Turner; Madeleine Helliwell; Elizabeth Moir","N,N'-Diarylureas: A New Family of Atropisomers Exhibiting Highly Diastereoselective Reactivity","Journal of Organic Chemistry","2008","73","","4415","4423","10.1021/jo702706c","","","0.71073","MoKα","","0.0994","0.066","","","0.1637","0.1797","","","","","","0.931","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023460","10.857","0.003","13.362","0.003","14.312","0.003","90","","108.463","0.004","90","","1969.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O -","- C22 H30 N2 O -","- C88 H120 N8 O4 -","4","1","","Jonathan Clayden; Hazel Turner; Madeleine Helliwell; Elizabeth Moir","N,N'-Diarylureas: A New Family of Atropisomers Exhibiting Highly Diastereoselective Reactivity","Journal of Organic Chemistry","2008","73","","4415","4423","10.1021/jo702706c","","","0.71073","MoKα","","0.0721","0.0487","","","0.1115","0.12","","","","","","0.95","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023461","16.752","0.003","12.248","0.002","16.951","0.003","90","","109.933","0.003","90","","3269.7","1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 S2 -","- C22 H8 S2 -","- C176 H64 S16 -","8","2","","Matthew J. O'Connor; Robert B. Yelle; Lev N. Zakharov; Michael M. Haley","Structure-Property Investigations of Conjugated Thiophenes Fused onto a Dehydro[14]annulene Scaffold","Journal of Organic Chemistry","2008","73","","4424","4432","10.1021/jo800225u","","","0.71073","MoKα","","0.0946","0.0564","","","0.1112","0.1291","","","","","","1.059","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023462","17.698","0.002","10.0144","0.0013","19.344","0.003","90","","113.957","0.002","90","","3133.2","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 S3 -","- C20 H6 S3 -","- C160 H48 S24 -","8","2","","Matthew J. O'Connor; Robert B. Yelle; Lev N. Zakharov; Michael M. Haley","Structure-Property Investigations of Conjugated Thiophenes Fused onto a Dehydro[14]annulene Scaffold","Journal of Organic Chemistry","2008","73","","4424","4432","10.1021/jo800225u","","","0.71073","MoKα","","0.1088","0.0576","","","0.1028","0.1221","","","","","","1.032","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023463","30.474","0.006","10.554","0.002","11.801","0.002","90","","94.31","0.03","90","","3784.7","1.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C62 H92 O24 P2 S2 Se2 -","- C62 H92 O24 P2 S2 Se2 -","- C124 H184 O48 P4 S4 Se4 -","2","0.5","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","","0.71073","MoKα","","0.0471","0.0448","","","0.1315","0.1353","","","","","","1.177","","","","has coordinates","189768","2020-10-21","18:00:00",""
"4023464","11.893","0.001","11.893","0.001","43.492","0.001","90","","90","","120","","5327.5","0.6","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C54 H92 O26 P2 S2 Se2 -","- C56 H76 O24 P2 S2 Se2 -","- C168 H228 O72 P6 S6 Se6 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","","0.71067","MoKα","","0.0518","0.035","","","0.0707","0.0745","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023465","29.875","0.001","10.4","0.001","11.628","0.001","90","","93.891","0.001","90","","3604.5","0.5","103","1","103","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C62 H92 O24 P2 S2.79 Se1.22 -","- C62 H92 O24 P2 S2.792 Se1.208 -","- C124 H184 O48 P4 S5.584 Se2.416 -","2","0.5","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","single crystal","x-ray","0.71074","MoKα","K-L~2,3~","0.0597","0.0377","","","0.0941","0.1015","","","","","","1.105","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023466","11.745","0.001","11.745","0.001","42.937","0.001","90","","90","","120","","5129.4","","103","1","103","1","","","","","","","","6","P 32","P 32","145","","","","- C52.2 H86.87 O25.4 P2 S2.77 Se1.23 -","- C52.206 H87.216 O25.402 P2 S2.769 Se1.231 -","- C156.618 H261.648 O76.206 P6 S8.307 Se3.693 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","single crystal","x-ray","0.71074","MoKα","K-L~2,3~","0.0648","0.0445","","","0.1008","0.1136","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4023467","11.717","0.001","11.717","0.001","42.414","0.001","90","","90","","120","","5042.8","0.6","103","2","103","1","","","","","","","","6","P 32","P 32","145","","","","- C54 H92 O26 P2 S2.93 Se1.07 -","- C54 H92 O26 P2 S2.935 Se1.065 -","- C162 H276 O78 P6 S8.805 Se3.195 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","x-ray","0.71074","MoKα","K-L~2,3~","0.0483","0.0359","","","0.0603","0.0713","","","","","","1.092","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4023468","11.883","","11.883","","43.699","","90","","90","","120","","5343.8","","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C54 H90 O26 P2 S2 Se2 -","- C56 H74 O24 P2 S2 Se2 -","- C168 H222 O72 P6 S6 Se6 -","3","1","","Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor","Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides","Journal of Organic Chemistry","2008","73","","4388","4397","10.1021/jo8002997","","","0.71068","MoKα","","0.0639","0.0483","","","0.1275","0.1345","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023469","7.0102","0.0005","10.7641","0.0009","15.896","0.001","86.052","0.004","77.422","0.002","71.319","0.002","1109","0.1","113.2","","","","","","","","","","","2","P 1","P 1","1","","","","- C30 H34 -","- C30 H34 -","- C60 H68 -","2","2","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Taisuke Matsumoto; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Three- and Four-Layered [3.3]Paracyclophanes","Journal of Organic Chemistry","2008","73","","4433","4442","10.1021/jo8003309","","","0.7107","MoKα","","","0.0667","","","","0.1786","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023470","15.2114","0.0003","16.3536","0.0004","17.9982","0.0003","90","","90","","90","","4477.3","0.2","113.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H30 O2 -","- C30 H30 O2 -","- C240 H240 O16 -","8","1","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Taisuke Matsumoto; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Three- and Four-Layered [3.3]Paracyclophanes","Journal of Organic Chemistry","2008","73","","4433","4442","10.1021/jo8003309","","","0.7107","MoKα","","","0.0452","","","","0.1188","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023471","17.2667","0.0008","17.2667","0.0008","10.1391","0.0004","90","","90","","90","","3022.9","0.2","113.2","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C42 H44 O2 -","- C42 H44 O2 -","- C168 H176 O8 -","4","0.5","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Taisuke Matsumoto; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Three- and Four-Layered [3.3]Paracyclophanes","Journal of Organic Chemistry","2008","73","","4433","4442","10.1021/jo8003309","","","0.7107","MoKα","","","0.0462","","","","0.1234","","","","","","0.889","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023472","12.3267","0.0009","7.3356","0.0006","36.777","0.003","90","","90","","90","","3325.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C160 H120 N24 O32 -","8","1","","Leonid G. Voskressensky; Ilya V. Vorobiev; Tatyana N. Borisova; Alexey V. Varlamov","Synthesis and Reactivity of a Novel Class of Long-Lived Ammonium Ylides: Derivatives of Benzo[b]pyrrolo[2,1-f][1.6]naphthyridine","Journal of Organic Chemistry","2008","73","","4596","4601","10.1021/jo8003698","","","0.71073","MoKα","","0.1032","0.0878","","","0.1735","0.1827","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023473","7.863","0.004","25.147","0.012","16.643","0.008","90","","90.72","0.03","90","","3290.6","2.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","2","","Leonid G. Voskressensky; Ilya V. Vorobiev; Tatyana N. Borisova; Alexey V. Varlamov","Synthesis and Reactivity of a Novel Class of Long-Lived Ammonium Ylides: Derivatives of Benzo[b]pyrrolo[2,1-f][1.6]naphthyridine","Journal of Organic Chemistry","2008","73","","4596","4601","10.1021/jo8003698","","","1.5418","CuKα","","0.2847","0.0725","","0.2623","0.1703","","","","1","1.898","1.898","","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023474","7.339","0.0015","13.311","0.003","14.787","0.003","90","","101.39","0.03","90","","1416.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Leonid G. Voskressensky; Ilya V. Vorobiev; Tatyana N. Borisova; Alexey V. Varlamov","Synthesis and Reactivity of a Novel Class of Long-Lived Ammonium Ylides: Derivatives of Benzo[b]pyrrolo[2,1-f][1.6]naphthyridine","Journal of Organic Chemistry","2008","73","","4596","4601","10.1021/jo8003698","","","0.71073","MoKα","","0.1418","0.0455","","","0.1222","0.1586","","","","","","1.006","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023475","18.2699","0.001","10.1474","0.001","18.2789","0.001","90","","113.843","0.01","90","","3099.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","2","","Leonid G. Voskressensky; Ilya V. Vorobiev; Tatyana N. Borisova; Alexey V. Varlamov","Synthesis and Reactivity of a Novel Class of Long-Lived Ammonium Ylides: Derivatives of Benzo[b]pyrrolo[2,1-f][1.6]naphthyridine","Journal of Organic Chemistry","2008","73","","4596","4601","10.1021/jo8003698","","","0.71073","MoKα","","0.0884","0.0578","","","0.1519","0.1736","","","","","","1.001","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023476","7.539","0.004","10.017","0.005","14.621","0.009","90","","91.27","0.02","90","","1103.9","","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 F N2 O -","- C10 H17 F N2 O -","- C40 H68 F4 N8 O4 -","4","1","","Takeshi Hanamoto; Eri Hashimoto; Masayuki Miura; Hiroshi Furuno; Junji Inanaga","Reaction of N-Methyl-5-tributylstannyl-4-fluoro-1H-pyrazole and its Application to N-Methyl-chromeno[2,3-d]pyrazol-9-one Synthesis","Journal of Organic Chemistry","2008","73","","4736","4739","10.1021/jo800431t","","","0.71073","MoKα","","0.0632","0.0439","","","0.0994","0.1077","","","","","","1.059","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023477","9.7374","0.0006","10.9885","0.0007","11.9183","0.0008","79.199","0.003","70.316","0.003","77.971","0.003","1164.82","0.13","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C25 H26 F3 N3 O5 -","- C25 H26 F3 N3 O5 -","- C50 H52 F6 N6 O10 -","2","1","","Viktor Krchňák; Katherine R. Waring; Bruce C. Noll; Ute Moellmann; Hans-Martin Dahse; Marvin J. Miller","Evolution of Natural Product Scaffolds by Acyl- and Arylnitroso Hetero-Diels-Alder Reactions: New Chemistry on Piperine","Journal of Organic Chemistry","2008","73","","4559","4567","10.1021/jo8004827","","x-ray","0.71073","MoKα","","0.0723","0.048","","","0.1201","0.1361","","","","","","1.045","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023478","8.811","0.005","12.403","0.007","16.004","0.009","90","","90","","90","","1749","1.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 F9 N O3 -","- C14 H18 F9 N O3 -","- C56 H72 F36 N4 O12 -","4","1","","Kazumasa Funabiki; Akitsugu Shibata; Hiroki Iwata; Keisuke Hatano; Yasuhiro Kubota; Kenichi Komura; Masahiro Ebihara; Masaki Matsui","Asymmetric Synthesis of (αR)-Polyfluoroalkylated Prolinols Based on the Perfluoroalkyl-Induced Highly Stereoselective Reduction of Perfluoroalkyl N-Boc-pyrrolidyl Ketones","Journal of Organic Chemistry","2008","73","","4694","4697","10.1021/jo8004952","","","0.7107","MoKα","","0.1052","0.0965","","","0.156","0.1586","","","","","","1.378","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023479","4.4429","0.0003","11.019","0.0009","12.586","0.001","90","","92.929","0.002","90","","615.36","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Yu-Chang Chang; Yu-Da Chen; Chih-Hsin Chen; Yuh-Sheng Wen; Jiann T. Lin; Hsing-Yin Chen; Ming-Yu Kuo; Ito Chao","Crystal Engineering for π-π Stacking via Interaction between Electron-Rich and Electron-Deficient Heteroaromatics","Journal of Organic Chemistry","2008","73","","4608","4614","10.1021/jo800546j","","","0.71073","MoKα","","0.0385","0.0282","","","0.0731","0.0752","","","","","","0.973","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023480","13.6857","0.0005","6.0341","0.0002","14.1529","0.0005","90","","104.255","0.002","90","","1132.77","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N S3 -","- C13 H7 N S3 -","- C52 H28 N4 S12 -","4","1","","Yu-Chang Chang; Yu-Da Chen; Chih-Hsin Chen; Yuh-Sheng Wen; Jiann T. Lin; Hsing-Yin Chen; Ming-Yu Kuo; Ito Chao","Crystal Engineering for π-π Stacking via Interaction between Electron-Rich and Electron-Deficient Heteroaromatics","Journal of Organic Chemistry","2008","73","","4608","4614","10.1021/jo800546j","","","0.71073","MoKα","","0.0434","0.0307","","","0.0752","0.0772","","","","","","0.945","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023481","5.297","0.01","15.04","0.04","7.486","0.011","90","","103.13","0.14","90","","581","2","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Atsushi Shirai; Okiko Miyata; Norimitsu Tohnai; Mikiji Miyata; David J. Procter; David Sucunza; Takeaki Naito","Total Synthesis of (-)-Martinellic Acid via Radical Addition-Cyclization-Elimination Reaction","Journal of Organic Chemistry","2008","73","","4464","4475","10.1021/jo800560p","","","1.54187","CuKα","","","0.0797","","","","0.2606","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023482","6.5797","0.0003","13.1538","0.0006","16.1049","0.0006","90","","90","","90","","1393.85","0.1","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Atsushi Shirai; Okiko Miyata; Norimitsu Tohnai; Mikiji Miyata; David J. Procter; David Sucunza; Takeaki Naito","Total Synthesis of (-)-Martinellic Acid via Radical Addition-Cyclization-Elimination Reaction","Journal of Organic Chemistry","2008","73","","4464","4475","10.1021/jo800560p","","","1.54187","CuKα","","","0.0455","","","","0.1532","","","","","","1.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023483","17.056","0.002","3.9938","0.0005","23.829","0.003","90","","98.49","0.012","90","","1605.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S2 -","- C18 H18 N2 O2 S2 -","- C72 H72 N8 O8 S8 -","4","1","","Daniel Kadzimirsz; Daniel Kramer; Lertnarong Sripanom; Iris M. Oppel; Pawel Rodziewicz; Nikos L. Doltsinis; Gerald Dyker","A Domino Annulation Reaction under Willgerodt-Kindler Conditions","Journal of Organic Chemistry","2008","73","","4644","4649","10.1021/jo8005705","","","0.71073","MoKα","","0.0542","0.0354","","","0.0803","0.0846","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023484","8.376","0.002","23.27","0.006","12.566","0.003","90","","98.76","0.02","90","","2420.5","1.1","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H23 N3 O4 -","- C28 H23 N3 O4 -","- C112 H92 N12 O16 -","4","1","","Hajime Abe; Hiroshi Machiguchi; Shinya Matsumoto; Masahiko Inouye","Saccharide Recognition-Induced Transformation of Pyridine-Pyridone Alternate Oligomers from Self-Dimer to Helical Complex","Journal of Organic Chemistry","2008","73","","4650","4661","10.1021/jo800599w","","","1.54187","CuKα","","","0.047","","","","0.1644","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023485","13.1526","0.0009","13.1526","0.0009","18.2549","0.0012","90","","90","","90","","3157.9","0.4","98.1","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C35 H38 Au Cl N2 -","- C35 H38 Au Cl N2 -","- C140 H152 Au4 Cl4 N8 -","4","0.5","","Yasumasa Matsumoto; Ken-ichi Yamada; Kiyoshi Tomioka","C~2~ Symmetric Chiral NHC Ligand for Asymmetric Quaternary Carbon Constructing Copper-Catalyzed Conjugate Addition of Grignard Reagents to 3-Substituted Cyclohexenones","Journal of Organic Chemistry","2008","73","","4578","4581","10.1021/jo800613h","","x-ray","0.71075","MoKα","","","0.0188","","","","0.0421","","","","","","1.105","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4023486","9.9402","0.0003","15.3528","0.0005","16.3562","0.0005","90","","90","","90","","2496.12","0.13","98.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Au Cl N2 O2 -","- C29 H26 Au Cl N2 O2 -","- C116 H104 Au4 Cl4 N8 O8 -","4","1","","Yasumasa Matsumoto; Ken-ichi Yamada; Kiyoshi Tomioka","C~2~ Symmetric Chiral NHC Ligand for Asymmetric Quaternary Carbon Constructing Copper-Catalyzed Conjugate Addition of Grignard Reagents to 3-Substituted Cyclohexenones","Journal of Organic Chemistry","2008","73","","4578","4581","10.1021/jo800613h","","","0.71075","MoKα","","","0.0347","","","","0.0544","","","","","","1.385","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023487","32.651","0.007","10.46","0.002","15.613","0.003","90","","96.34","0.03","90","","5299.6","1.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 S -","- C22 H22 N2 S -","- C264 H264 N24 S12 -","12","3","","Ting Qi; Wenfeng Qiu; Yunqi Liu; Hengjun Zhang; Xike Gao; Ying Liu; Kun Lu; Chunyan Du; Gui Yu; Daoben Zhu","Synthesis, Structures, and Properties of Disubstituted Heteroacenes on One Side Containing Both Pyrrole and Thiophene Rings","Journal of Organic Chemistry","2008","73","","4638","4643","10.1021/jo800622y","","","0.71073","MoKα","","0.0695","0.0577","","","0.1156","0.1214","","","","","","1.124","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023488","9.913","0.002","23.138","0.005","9.828","0.002","90","","95.88","0.03","90","","2242.2","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 S -","- C30 H22 N2 S -","- C120 H88 N8 S4 -","4","1","","Ting Qi; Wenfeng Qiu; Yunqi Liu; Hengjun Zhang; Xike Gao; Ying Liu; Kun Lu; Chunyan Du; Gui Yu; Daoben Zhu","Synthesis, Structures, and Properties of Disubstituted Heteroacenes on One Side Containing Both Pyrrole and Thiophene Rings","Journal of Organic Chemistry","2008","73","","4638","4643","10.1021/jo800622y","","","0.71073","MoKα","","0.0779","0.0664","","","0.1583","0.1667","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023489","7.5334","0.0003","18.0992","0.001","8.462","0.0004","90","","112.576","0.002","90","","1065.37","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C40 H48 N8 O8 S4 -","4","1","","Young Tak Lee; Young Keun Chung","Silver(I)-Catalyzed Facile Synthesis of Pyrazoles From Propargyl N-Sulfonylhydrazones","Journal of Organic Chemistry","2008","73","","4698","4701","10.1021/jo800663g","","","0.71073","MoKα","","0.0509","0.0413","","","0.1093","0.1153","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023490","8.3873","0.0011","5.5964","0.0004","14.1809","0.0017","90","","100.65","0.004","90","","654.17","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","","Young Tak Lee; Young Keun Chung","Silver(I)-Catalyzed Facile Synthesis of Pyrazoles From Propargyl N-Sulfonylhydrazones","Journal of Organic Chemistry","2008","73","","4698","4701","10.1021/jo800663g","","","0.71073","MoKα","","0.0574","0.0431","","","0.096","0.1035","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023491","11.238","0.002","16.985","0.003","4.1132","0.0008","90","","90","","90","","785.1","0.3","120","2","120","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C12 H20 N8 O4 -","- C14 H20 N8 O4 -","- C28 H40 N16 O8 -","2","0.5","","Marek Stancl; Marek Necas; Jan Taraba; Vladimir Sindelar","Glycoluril Dimers Bearing Hydrogen Atoms on Their Convex Face and Their Self-Assembly in the Solid State","Journal of Organic Chemistry","2008","73","","4671","4675","10.1021/jo800699s","","","0.71073","MoKα","","0.0849","0.0617","","","0.1242","0.1336","","","","","","1.065","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023492","11.6354","0.0002","14.5303","0.0003","16.3846","0.0004","67.621","0.002","79.274","0.002","83.56","0.002","2514.1","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N8 O6 -","- C26 H28 N8 O6 -","- C104 H112 N32 O24 -","4","2","","Marek Stancl; Marek Necas; Jan Taraba; Vladimir Sindelar","Glycoluril Dimers Bearing Hydrogen Atoms on Their Convex Face and Their Self-Assembly in the Solid State","Journal of Organic Chemistry","2008","73","","4671","4675","10.1021/jo800699s","","","0.71073","MoKα","","0.0773","0.0524","","","0.1507","0.1686","","","","","","1.109","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023493","14.2374","0.001","11.5705","0.0008","11.8722","0.0008","90","","112.698","0.009","90","","1804.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N8 O6 -","- C16 H24 N8 O6 -","- C64 H96 N32 O24 -","4","1","","Marek Stancl; Marek Necas; Jan Taraba; Vladimir Sindelar","Glycoluril Dimers Bearing Hydrogen Atoms on Their Convex Face and Their Self-Assembly in the Solid State","Journal of Organic Chemistry","2008","73","","4671","4675","10.1021/jo800699s","","","0.71073","MoKα","","0.0494","0.0324","","","0.087","0.0981","","","","","","1.149","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023494","10.677","0.002","10.959","0.002","21.188","0.005","90","","90","","90","","2479.1","0.9","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-Anthracen-9-ylmethyl-8-phenyl-7,8,9,10-tetrahydro-6-oxa- 9-aza-5-bora-benzocycloocten-5-ol","","- C31 H28 B N O2 -","- C31 H28 B N O2 -","- C124 H112 B4 N4 O8 -","4","1","","Lina Chi; Jianzhang Zhao; Tony D. James","Chiral Mono Boronic Acid As Fluorescent Enantioselective Sensor for Mono α-Hydroxyl Carboxylic Acids","Journal of Organic Chemistry","2008","73","","4684","4687","10.1021/jo8007622","","","0.71073","MoKα","","0.1173","0.0714","","","0.1556","0.1754","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023495","11.5718","0.0016","15.192","0.002","9.5817","0.0015","90","","90","","90","","1684.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H20 Cl N5 O6 -","- C13 H20 Cl N5 O6 -","- C52 H80 Cl4 N20 O24 -","4","1","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.1526","0.0864","","","0.237","0.28","","","","","","0.859","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023496","10.6618","0.0019","12.83","0.002","14.182","0.003","100.467","0.003","101.62","0.004","101.649","0.003","1810.4","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H82 N14 O24 S4 -","- C62 H82 N14 O24 S4 -","- C62 H82 N14 O24 S4 -","1","0.5","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.1565","0.0951","","","0.2438","0.297","","","","","","0.88","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023497","10.248","0.0011","12.6169","0.0015","19.111","0.002","81.575","0.003","84.536","0.003","77.962","0.002","2385.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H72 N10 O21 -","- C36 H72 N10 O21 -","- C72 H144 N20 O42 -","2","1","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.2221","0.0543","","","0.1048","0.1441","","","","","","0.734","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023498","8.353","0.0014","11.327","0.002","19.11","0.003","90","","94.237","0.004","90","","1803.2","0.5","446","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 N10 O6 -","- C32 H54 N10 O6 -","- C64 H108 N20 O12 -","2","0.5","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.0845","0.0448","","","0.1181","0.1343","","","","","","1.034","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023499","7.046","0.004","15.999","0.01","26.916","0.016","90","","90","","90","","3034","3","213","2","213","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H22 N4 O3 -","- C14 H22 N4 O3 -","- C112 H176 N32 O24 -","8","1","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.1536","0.1479","","","0.3331","0.3383","","","","","","1.163","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023500","6.0458","0.0013","19.101","0.004","12.283","0.002","90","","104.201","0.004","90","","1375.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O2 -","- C14 H20 N4 O2 -","- C56 H80 N16 O8 -","4","1","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.1567","0.0573","","","0.1363","0.1667","","","","","","0.772","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023501","10.2709","0.0006","10.8236","0.0006","11.1705","0.0007","65.76","0.001","88.031","0.001","78.345","0.001","1107.33","0.11","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","1","0.5","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.0511","0.0425","","","0.1127","0.1157","","","","","","1.167","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023502","9.1721","0.0007","9.4004","0.0007","10.7902","0.0008","102.07","0.001","115.017","0.001","92.109","0.001","816.15","0.11","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","1","0.5","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.059","0.0489","","","0.1322","0.1443","","","","","","1.021","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023503","8.0877","0.0002","7.3634","0.0002","37.9309","0.0005","90","","94.7722","0.0005","90","","2251.07","0.09","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Br O3 -","- C11 H13 Br O3 -","- C88 H104 Br8 O24 -","8","2","","Serena J. Eade; Magnus W. Walter; Colin Byrne; Barbara Odell; Raphaël Rodriguez; Jack E. Baldwin; Robert M.Adlington; John E. Moses","Biomimetic Synthesis of Pyrone-Derived Natural Products: Exploring Chemical Pathways from a Unique Polyketide Precursor","Journal of Organic Chemistry","2008","73","","4830","4839","10.1021/jo800220w","","","0.71073","MoKα","","0.0704","0.0336","","0.072","0.0371","0.0371","","","","","","1.1111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023504","4.991","0.0003","11.0159","0.0015","39.504","0.003","90","","90","","90","","2171.9","0.4","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br N4 O6 -","- C19 H23 Br N4 O6 -","- C76 H92 Br4 N16 O24 -","4","1","","M. Waqar Aslam; Guuske F. Busscher; David P. Weiner; René de Gelder; Floris P. J. T. Rutjes; Floris L. va Delft","Fully Orthogonally Protected 2-Deoxystreptamine from Kanamycin","Journal of Organic Chemistry","2008","73","","5131","5134","10.1021/jo8004414","","","0.71073","MoKα","","0.1681","0.0765","","0.1476","0.1231","0.1476","","","1.071","","","1.071","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023505","7.9798","0.0005","10.2973","0.0009","17.5711","0.0014","90","","90","","90","","1443.82","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(-)-5,11-dimethyldibenzo[b,f][1,5]diazocine-6,12(5H,11H)-dithione","","- C16 H14 N2 S2 -","- C16 H14 N2 S2 -","- C64 H56 N8 S8 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly","Journal of Organic Chemistry","2008","73","","4859","4864","10.1021/jo8004809","","","0.71073","MoKα","","0.0417","0.033","","","0.0606","0.0636","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023506","10.9118","0.0007","13.9513","0.0009","16.0627","0.001","103.793","0.005","108.602","0.006","103.178","0.005","2124.4","0.2","130","2","130","2","","","","","","","","7","P 1","P 1","1","","","","- C74 H96 Ag4 Cl4 N4 O18 S8 -","- C74 H88 Ag4 Cl4 N4 O18 S8 -","- C74 H88 Ag4 Cl4 N4 O18 S8 -","1","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly","Journal of Organic Chemistry","2008","73","","4859","4864","10.1021/jo8004809","","","0.71073","MoKα","","0.0523","0.0453","","","0.1095","0.1139","","","","","","1.039","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023507","13.9899","0.0008","17.6632","0.0009","12.3039","0.0006","90","","103.639","0.005","90","","2954.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11-dimethyldibenzo[b,f][1,5]diazocine-6,12(5H,11H)-dithione","","- C16 H14 N2 S2 -","- C16 H14 N2 S2 -","- C128 H112 N16 S16 -","8","2","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly","Journal of Organic Chemistry","2008","73","","4859","4864","10.1021/jo8004809","","","0.71073","MoKα","","0.0616","0.0392","","","0.0946","0.1026","","","","","","1.115","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023508","21.417","0.003","7.5864","0.0008","17.247","0.002","90","","95.493","0.012","90","","2789.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5,11-dimethyldibenzo[b,f][1,5]diazocine-6,12(5H,11H)-dithione bis-pentafluorophenol co-crystal","","- C28 H16 F10 N2 O2 S2 -","- C28 H16 F10 N2 O2 S2 -","- C112 H64 F40 N8 O8 S8 -","4","0.5","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly","Journal of Organic Chemistry","2008","73","","4859","4864","10.1021/jo8004809","","","0.71073","MoKα","","0.0649","0.0442","","","0.1286","0.1413","","","","","","1.073","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023509","8.5694","0.0008","9.811","0.002","11.707","0.002","107.36","0.02","95.12","0.01","101.21","0.02","910","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,11-dimethyldibenzo[b,f][1,5]diazocine-6,12(5H,11H)-dithione toluene 2:1 solvate","","- C39 H36 N4 S4 -","- C39 H36 N4 S4 -","- C39 H36 N4 S4 -","1","0.5","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly","Journal of Organic Chemistry","2008","73","","4859","4864","10.1021/jo8004809","","","1.54178","CuKα","","0.066","0.0501","","","0.1393","0.1503","","","","","","1.052","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023510","16.8343","0.0008","8.9231","0.0004","22.4144","0.0011","90","","90.078","0.003","90","","3367","0.3","183","2","183","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C35 H24 F3 N9 O6 -","- C35 H24 F3 N9 O6 -","- C140 H96 F12 N36 O24 -","4","1","","Peter Langer; Shadi Amiri; Anja Bodtke; Nehad N. R. Saleh; Klaus Weisz; Helmar Görls; Peter R. Schreier","3,5,7,9-Substituted Hexaazaacridines: Toward Structures with Nearly Degenerate Singlet-Triplet Energy Separations","Journal of Organic Chemistry","2008","73","","5048","5063","10.1021/jo8005123","","","0.71073","MoKα","","0.2018","0.0965","","","0.2523","0.3141","","","","","","1.038","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023511","16.836","0.007","9.804","0.004","18.711","0.007","90","","98.518","0.005","90","","3055","2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 N2 S2 -","- C39 H36 N2 S2 -","- C156 H144 N8 S8 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori","Synthesis of Thiophene-Containing Hybrid Calixphyrins of the 5,10-Porphodimethene Type","Journal of Organic Chemistry","2008","73","","5139","5142","10.1021/jo800532n","","","0.7107","MoKα","","0.0939","0.0728","","","0.1229","0.1333","","","","","","1.025","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023512","15.5799","0.0015","27.514","0.003","9.2074","0.0009","90","","92.224","0.002","90","","3943.9","0.7","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H45 N6 O7.5 -","- C42 H42 N6 O7.5 -","- C168 H168 N24 O30 -","4","1","","Hyuma Masu; Takako Kato; Masahide Tominaga","Chiral Spherical Molecule Constructed from Aromatic Amides: Facile Synthesis and Highly Ordered Network Structure in the Crystal","Journal of Organic Chemistry","2008","73","","5143","5146","10.1021/jo800585h","","","0.71073","MoKα","","0.0912","0.0604","","","0.1464","0.1676","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023513","14.5968","0.0013","17.3664","0.0016","15.3345","0.0014","90","","91.59","0.001","90","","3885.7","0.6","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H45 N6 O7.5 -","- C42 H42 N6 O7.5 -","- C168 H168 N24 O30 -","4","2","","Hyuma Masu; Kosuke Katagiri; Takako Kato; Hiroyuki Kagechika; Masahide Tominaga; Isao Azumaya","Chiral Spherical Molecule Constructed from Aromatic Amides: Facile Synthesis and Highly Ordered Network Structure in the Crystal","Journal of Organic Chemistry","2008","73","","5143","5146","10.1021/jo800585h","","","0.71073","MoKα","","0.0898","0.0501","","","0.1151","0.1296","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023514","8.984","0.0005","17.4356","0.0007","23.5112","0.0008","90","","97.3302","0.0013","90","","3652.7","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.6 H35.2 N6.4 O5.6 -","- C29.6 H35.2 N6.4 O5.6 -","- C148 H176 N32 O28 -","5","1.25","","Ina Bolz; Chulsoon Moon; Volker Enkelmann; Gunther Brunklaus; Stefan Spange","Probing Molecular Recognition in the Solid-State by Use of an Enolizable Chromophoric Barbituric Acid","Journal of Organic Chemistry","2008","73","","4783","4793","10.1021/jo800598z","","","0.71073","MoKα","","0.1522","0.0559","","0.0263","0.0147","0.0147","","","","","","1.1834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023515","19.5654","0.0006","7.7672","0.0004","19.9017","0.0006","90","","92.6734","0.0013","90","","3021.1","0.2","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H27.02 N6 O10 -","- C28 H27.022 N6 O10 -","- C112 H108.088 N24 O40 -","4","1","","Ina Bolz; Chulsoon Moon; Volker Enkelmann; Gunther Brunklaus; Stefan Spange","Probing Molecular Recognition in the Solid-State by Use of an Enolizable Chromophoric Barbituric Acid","Journal of Organic Chemistry","2008","73","","4783","4793","10.1021/jo800598z","","","0.71073","MoKα","","0.0661","0.0661","","0.0672","0.0674","0.0674","","","","","","0.9429","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023516","11.3856","0.0005","7.8718","0.0004","19.8518","0.0006","90","","91.1138","0.0012","90","","1778.88","0.13","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O6 -","- C17 H21 N3 O6 -","- C68 H84 N12 O24 -","4","1","","Ina Bolz; Chulsoon Moon; Volker Enkelmann; Gunther Brunklaus; Stefan Spange","Probing Molecular Recognition in the Solid-State by Use of an Enolizable Chromophoric Barbituric Acid","Journal of Organic Chemistry","2008","73","","4783","4793","10.1021/jo800598z","","","0.71073","MoKα","","0.0659","0.065","","0.0558","0.0554","0.0554","","","","","","0.9699","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023517","6.902","0.0008","11.9281","0.0014","15.0146","0.0016","90","","90","","90","","1236.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Jason W. J. Kennedy; Sophia Vietrich; Hilmar Weinmann; Dominic E. A. Brittain","Synthesis of 7a-Substituted Hajos-Wiechert Ketone Analogues","Journal of Organic Chemistry","2008","73","","5151","5154","10.1021/jo800638s","","","1.54178","CuKα","","0.0254","0.0251","","","0.0643","0.0645","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023518","14.1725","0.0011","13.632","0.0011","12.9642","0.001","90","","114.16","0.002","90","","2285.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl2 O5 Si -","- C20 H32 Cl2 O5 Si -","- C80 H128 Cl8 O20 Si4 -","4","1","","Kay M. Brummond; Daitao Chen; Matthew M. Davis","A General Synthetic Route to Differentially Functionalized Angularly and Linearly Fused [6-7-5] Ring Systems: A Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2008","73","","5064","5068","10.1021/jo8007258","","","0.71073","MoKα","","0.1077","0.0758","","","0.2173","0.2407","","","","","","1.09","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023519","9.5186","0.0011","10.0427","0.0011","13.5127","0.0015","68.579","0.012","70.743","0.012","78.726","0.013","1131.1","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C52 H56 O10 -","2","1","","Gerhard Hilt; Anna Paul; Klaus Harms","Cobalt-Catalyzed Intermolecular [2 + 2 + 2] Cycloaddition for the Synthesis of 1,3-Cyclohexadienes","Journal of Organic Chemistry","2008","73","","5187","5190","10.1021/jo800735x","","","0.71073","MoKα","","0.0703","0.0524","","","0.1418","0.1504","","","","","","1.06","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023520","12.3889","0.0019","6.1262","0.0007","16.557","0.002","90","","107.466","0.016","90","","1198.7","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Gerhard Hilt; Anna Paul; Klaus Harms","Cobalt-Catalyzed Intermolecular [2 + 2 + 2] Cycloaddition for the Synthesis of 1,3-Cyclohexadienes","Journal of Organic Chemistry","2008","73","","5187","5190","10.1021/jo800735x","","","0.71073","MoKα","","0.0832","0.0359","","","0.0706","0.08","","","","","","0.804","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023521","7.295","0.001","10.343","0.001","12.38","0.001","101.076","0.001","103.489","0.001","97.397","0.001","876.55","0.16","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","François-Didier Boyer; Xavier LeGoff; Issam Hanna","Gold(I)-Catalyzed Cycloisomerization of 1,7- and 1,8-Enynes: Application to the Synthesis of a New Allocolchicinoid","Journal of Organic Chemistry","2008","73","","5163","5166","10.1021/jo800797c","","","0.71069","MoKα","","0.0957","0.0505","","","0.1167","0.1336","","","","","","1.025","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023522","9.6258","0.0016","7.7123","0.0013","16.2","0.003","90","","103.75","0.003","90","","1168.2","0.3","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","","Ken S. Feldman; Malliga R. Iyer; Carlos Silva López; Olalla Nieto Faza","Allenyl Azide Cycloaddition Chemistry: Exploration of the Scope and Mechanism of Cyclopentennelated Dihydropyrrole Synthesis through Azatrimethylenemethane Intermediates","Journal of Organic Chemistry","2008","73","","5090","5099","10.1021/jo8008066","","","0.71073","MoKα","","0.0563","0.0503","","","0.1245","0.1277","","","","","","1.079","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023523","7.433","0.008","7.991","0.008","10.455","0.011","85.14","0.017","79.187","0.019","78.799","0.017","597.6","1.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Br N -","- C14 H14 Br N -","- C28 H28 Br2 N2 -","2","1","","Ken S. Feldman; Malliga R. Iyer; Carlos Silva López; Olalla Nieto Faza","Allenyl Azide Cycloaddition Chemistry: Exploration of the Scope and Mechanism of Cyclopentennelated Dihydropyrrole Synthesis through Azatrimethylenemethane Intermediates","Journal of Organic Chemistry","2008","73","","5090","5099","10.1021/jo8008066","","","0.71073","MoKα","","0.0998","0.0693","","","0.1759","0.2091","","","","","","0.987","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023524","10.815","0.009","11.663","0.01","21.724","0.018","90.008","0.015","90.126","0.016","104.101","0.015","2658","4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","5,5,8,8-Tetra-n-butyl-1,2-dihydroimidazo[1,2,3-ij][1,8]naphthyridine- 4,6,7,9(5H,8H)tetraone","","- C22 H32 N2 O4 -","- C20.8 H32 N1.6 O4 -","- C104 H160 N8 O20 -","5","2.5","","Guozhong Ye; Aihua Zhou; William P. Henry; Yingquan Song; Sabornie Chatterjee; Debbie J. Beard; Pittman, Jr., Charles U.","Tandem Reactions of 1,3-Diacid Chlorides with 2-Methylimidazoline and 2-Methyl-1,4,5,6-tetrahydropyrimidine: One-Pot Synthesis of 1,8-Naphthyridinetetraones","Journal of Organic Chemistry","2008","73","","5170","5172","10.1021/jo8009177","","","0.71073","MoKα","","0.1651","0.0892","","","0.2202","0.2706","","","","","","0.878","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023525","11.601","0.002","9.208","0.001","17.816","0.003","90","","96.135","0.002","90","","1892.2","0.5","300","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Sébastien Comesse; Morgane Sanselme; Adam Daïch","New and Expeditious Tandem Sequence Aza-Michael/Intramolecular Nucleophilic Substitution Route to Substituted γ-Lactams: Synthesis of the Tricyclic Core of (±)-Martinellines","Journal of Organic Chemistry","2008","73","","5566","5569","10.1021/jo702752w","","","0.71073","MoKα","","0.0549","0.0469","","","0.1291","0.1367","","","","","","1.037","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023526","12.5871","0.0009","15.7329","0.0011","23.1693","0.0016","90","","90","","90","","4588.3","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H40 Br4 O4 -","- C57 H40 Br4 O4 -","- C228 H160 Br16 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol","Journal of Organic Chemistry","2008","73","","5255","5263","10.1021/jo800215w","","","1.54178","CuKα","","0.032","0.0314","","","0.0803","0.0807","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023527","11.2577","0.0004","16.6181","0.0006","28.4719","0.0011","90","","90","","90","","5326.6","0.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H42 Br8 Cl4 O4 -","- C53 H42 Br8 Cl4 O4 -","- C212 H168 Br32 Cl16 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol","Journal of Organic Chemistry","2008","73","","5255","5263","10.1021/jo800215w","","","1.54178","CuKα","","0.0518","0.0517","","","0.1452","0.1454","","","","","","1.064","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023528","13.8546","0.0011","15.2258","0.0014","15.5191","0.0012","90","","90","","90","","3273.7","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H32 O4 -","- C45 H32 O4 -","- C180 H128 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol","Journal of Organic Chemistry","2008","73","","5255","5263","10.1021/jo800215w","","","1.54178","CuKα","","0.053","0.0497","","","0.1144","0.1151","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023529","11.4661","0.0002","15.3621","0.0003","22.3588","0.0005","105.206","0.001","94.292","0.001","91.621","0.001","3785.11","0.13","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C93 H63 Br8 O8 -","- C93 H63 Br8 O8 -","- C186 H126 Br16 O16 -","2","1","","Tao Tu; Thierry Maris; James D. Wuest","Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol","Journal of Organic Chemistry","2008","73","","5255","5263","10.1021/jo800215w","","","1.54178","CuKα","","0.0979","0.0541","","","0.1212","0.1335","","","","","","1.042","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023530","33.822","0.004","8.172","0.0009","12.1131","0.0013","90","","102.965","0.001","90","","3262.7","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","iPr2P(C14H9)","9-Diisopropylphosphanylanthracene","","- C20 H23 P -","- C20 H23 P -","- C160 H184 P8 -","8","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0574","0.0454","","","0.1199","0.1265","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023531","10.9182","0.0008","14.5439","0.0011","21.0612","0.0016","90","","90","","90","","3344.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SiPr2P(C14H9)","9-Diisopropylthiophosphorylanthracene","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0315","0.0298","","","0.0796","0.0809","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023532","11.0214","0.0016","14.57","0.002","21.206","0.003","90","","90","","90","","3405.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SeiPr2P(C14H9)","9-Diisopropylselenophosphorylanthracene","","- C20 H23 P Se -","- C20 H23 P Se -","- C160 H184 P8 Se8 -","8","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.023","0.0215","","","0.0586","0.0595","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023533","8.3327","0.0007","15.557","0.0013","27.197","0.002","90","","93.059","0.002","90","","3520.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Br(C14H8)PiPr2","9-Bromo-10-diisopropylphosphanylanthracene","","- C20 H22 Br P -","- C20 H22 Br P -","- C160 H176 Br8 P8 -","8","2","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0512","0.0373","","","0.0918","0.0961","","","","","","1.064","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023534","22.5951","0.0012","11.0527","0.0006","14.5479","0.0008","90","","93.023","0.001","90","","3628.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Br(C14H8)(iPr2P=S)","9-Brom-10-diisopropylthiophosphorylanthracene","","- C20 H22 Br P S -","- C20 H22 Br P S -","- C160 H176 Br8 P8 S8 -","8","2","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0257","0.0232","","","0.0624","0.0634","","","","","","1.034","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023535","22.6134","0.0014","11.1967","0.0007","14.5751","0.0009","90","","93.468","0.001","90","","3683.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Br(C14H8)(iPr2P=Se)","9-Brom-10-diisopropylselenophosphorylanthracene","","- C20 H22 Br P Se -","- C20 H22 Br P Se -","- C160 H176 Br8 P8 Se8 -","8","2","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0235","0.0212","","","0.0544","0.0553","","","","","","1.084","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023536","11.5637","0.0017","8.2911","0.0012","11.9497","0.0018","90","","94.953","0.002","90","","1141.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(iPr2P)2(C14H8)","9,10-Bis(diisopropylphosphanyl)anthracene","","- C26 H36 P2 -","- C26 H36 P2 -","- C52 H72 P4 -","2","0.5","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0432","0.0352","","","0.0873","0.0906","","","","","","1.049","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023537","7.3333","0.0012","15.522","0.003","21.997","0.004","90","","90","","90","","2503.8","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(iPr2P=S)2(C14H8)","9,10-Bis(diisopropylthiophosphoryl)anthracene","","- C26 H36 P2 S2 -","- C26 H36 P2 S2 -","- C104 H144 P8 S8 -","4","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0258","0.0245","","","0.0609","0.0615","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023538","6.3533","0.0012","17.527","0.003","18.82","0.004","90","","96.512","0.004","90","","2082.2","0.7","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 -","- C29 H34 -","- C116 H136 -","4","1","","Kohei Ogawa; Shinya Minegishi; Koichi Komatsu; Toshikazu Kitagawa","Generation and Reaction of a Phenyl-Substituted Cyclopentadienyl Cation Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2008","73","","5248","5254","10.1021/jo800340g","","","0.71073","MoKα","","0.0906","0.0528","","","0.1067","0.1161","","","","","","1.013","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023539","6.5347","0.0013","10.784","0.002","15.777","0.003","74.79","0.004","82.116","0.004","81.619","0.004","1055.7","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H33 Cl -","- C29 H33 Cl -","- C58 H66 Cl2 -","2","1","","Kohei Ogawa; Shinya Minegishi; Koichi Komatsu; Toshikazu Kitagawa","Generation and Reaction of a Phenyl-Substituted Cyclopentadienyl Cation Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2008","73","","5248","5254","10.1021/jo800340g","","","0.71073","MoKα","","0.0576","0.0406","","","0.0869","0.0929","","","","","","1.082","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023540","11.0557","0.0016","17.65","0.003","22.609","0.003","90","","97.847","0.003","90","","4370.6","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 O -","- C30 H36 O -","- C240 H288 O8 -","8","1","","Kohei Ogawa; Shinya Minegishi; Koichi Komatsu; Toshikazu Kitagawa","Generation and Reaction of a Phenyl-Substituted Cyclopentadienyl Cation Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2008","73","","5248","5254","10.1021/jo800340g","","","0.71073","MoKα","","0.0648","0.0429","","","0.0857","0.0908","","","","","","1.012","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023541","10.012","0.0013","21.486","0.003","11.6831","0.0016","90","","100.848","0.002","90","","2468.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 F6 Sb -","- C29 H33 F6 Sb -","- C116 H132 F24 Sb4 -","4","1","","Kohei Ogawa; Shinya Minegishi; Koichi Komatsu; Toshikazu Kitagawa","Generation and Reaction of a Phenyl-Substituted Cyclopentadienyl Cation Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2008","73","","5248","5254","10.1021/jo800340g","","","0.71073","MoKα","","0.0558","0.0378","","","0.0726","0.0759","","","","","","1.061","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023542","16.001","0.002","9.9744","0.0014","14.124","0.002","90","","95.655","0.003","90","","2243.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O -","- C30 H36 O -","- C120 H144 O4 -","4","1","","Kohei Ogawa; Shinya Minegishi; Koichi Komatsu; Toshikazu Kitagawa","Generation and Reaction of a Phenyl-Substituted Cyclopentadienyl Cation Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2008","73","","5248","5254","10.1021/jo800340g","","","0.71073","MoKα","","0.0712","0.0441","","","0.0798","0.0851","","","","","","1.012","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023543","13.3761","0.0006","14.4152","0.0007","28.8382","0.0014","93.622","0.001","96.284","0.001","92.635","0.001","5508.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 Cl3 N3 O6 -","- C57 H60 Cl3 N3 O9 -","- C228 H240 Cl12 N12 O36 -","4","2","","Chatthai Kaewtong; Nongnuj Muangsin; Narongsak Chaichit; Buncha Pulpoka","Conformation-Selective Synthesis and Binding Properties of N-Benzylhexahomotriaza-p-chlorocalix[3]trinaphthylamide","Journal of Organic Chemistry","2008","73","","5574","5577","10.1021/jo800461r","","","0.71073","MoKα","","0.1617","0.0981","","","0.2165","0.2606","","","","","","1.106","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023544","16.1795","0.0003","16.5809","0.0003","16.6482","0.0002","92.624","0.001","105.88","0.001","112.174","0.001","3921.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H81 Cl3 N6 O9 -","- C84 H75 Cl3 N6 O9 -","- C168 H150 Cl6 N12 O18 -","2","1","","Chatthai Kaewtong; Nongnuj Muangsin; Narongsak Chaichit; Buncha Pulpoka","Conformation-Selective Synthesis and Binding Properties of N-Benzylhexahomotriaza-p-chlorocalix[3]trinaphthylamide","Journal of Organic Chemistry","2008","73","","5574","5577","10.1021/jo800461r","","","0.71073","MoKα","","0.2288","0.1276","","","0.3142","0.394","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023545","15.6068","0.0019","20.806","0.003","23.361","0.003","90","","91.114","0.002","90","","7584.4","1.6","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C114 H224 N10 O101 -","- C114 H162 N10 O101 -","- C228 H324 N20 O202 -","2","1","","Yu Liu; Zi-Xin Yang; Yong Chen","Syntheses and Self-Assembly Behaviors of the Azobenzenyl Modified β-Cyclodextrins Isomers","Journal of Organic Chemistry","2008","73","","5298","5304","10.1021/jo800488f","","","0.7107","MoKα","","0.0826","0.0763","","","0.201","0.2079","","","","","","1.033","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023546","7.4485","0.0012","7.6023","0.0012","8.1635","0.0013","90.627","0.003","101.339","0.003","109.74","0.003","425.11","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C14 H24 N4 O6 -","2","1","","Christiaan Rijksen; Robin D. Rogers","A Solventless Route to 1-Ethyl-3-methylimidazolium Fluoride Hydrofluoride, [C~2~mim][F].xHF","Journal of Organic Chemistry","2008","73","","5582","5584","10.1021/jo800578b","","","0.71073","MoKα","","0.0547","0.0414","","","0.1008","0.1082","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023547","7.7748","0.0012","12.836","0.002","17.963","0.003","97.147","0.003","93.32","0.003","100.103","0.003","1745.3","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","2","","Min Shi; Xiang-Ying Tang; Yong-Hua Yang","Lewis Acid-Mediated Reactions of 1-Cyclopropyl-2-arylethanone Derivatives with Allenic Ester, Ethyl Acetoacetate, and Methyl Acrylate","Journal of Organic Chemistry","2008","73","","5311","5318","10.1021/jo800608h","","","0.71073","MoKα","","0.1216","0.0664","","","0.1527","0.1807","","","","","","0.827","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023548","45.814","0.007","9.4317","0.0013","11.6643","0.0016","90","","90","","90","","5040.2","1.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H14 Br O2.5 -","- C14 H14 Br O2.5 -","- C224 H224 Br16 O40 -","16","1","","Min Shi; Xiang-Ying Tang; Yong-Hua Yang","Lewis Acid-Mediated Reactions of 1-Cyclopropyl-2-arylethanone Derivatives with Allenic Ester, Ethyl Acetoacetate, and Methyl Acrylate","Journal of Organic Chemistry","2008","73","","5311","5318","10.1021/jo800608h","","","0.71073","MoKα","","0.0612","0.0469","","","0.0979","0.1013","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023549","10.903","0.0018","16.171","0.003","8.8944","0.0015","90","","109.901","0.003","90","","1474.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Min Shi; Xiang-Ying Tang; Yong-Hua Yang","Lewis Acid-Mediated Reactions of 1-Cyclopropyl-2-arylethanone Derivatives with Allenic Ester, Ethyl Acetoacetate, and Methyl Acrylate","Journal of Organic Chemistry","2008","73","","5311","5318","10.1021/jo800608h","","","0.71073","MoKα","","0.1004","0.0605","","","0.1253","0.1397","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023550","12.466","0.002","13.006","0.003","19.538","0.003","88.12","0.017","81.194","0.014","61.642","0.012","2751.8","0.9","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C52 H68 F12 N2 O14 P2 -","- C52 H68 F12 N2 O14 P2 -","- C104 H136 F24 N4 O28 P4 -","2","1","","Adam M.-P. Pederson; Ryan C. Vetor; Mason A. Rouser; Feihe Huang; Carla Slebodnick; Daniel V. Schoonover; Harry W. Gibson","A New Functional Bis(m-phenylene)-32-crown-10-Based Cryptand Host for Paraquats","Journal of Organic Chemistry","2008","73","","5570","5573","10.1021/jo8006368","","x-ray","0.71073","MoKα","","0.1704","0.0664","","","0.1542","0.1849","","","","","","0.853","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023551","7.5933","0.001","10.1784","0.0013","15.0517","0.0019","71.664","0.002","76.411","0.002","72.426","0.002","1040","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","compound 1","4,5-dio-tolylanthracen-9(10H)-one","","- C28 H22.3 N0.54 O -","- C27.999 H22.271 N0.542 O -","- C55.998 H44.542 N1.084 O2 -","2","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Stereodynamics and Conformational Chirality of the Atropisomers of Ditolyl Anthrones and Anthraquinone","Journal of Organic Chemistry","2008","73","","5354","5359","10.1021/jo800677n","","","0.71073","MoKα","","0.0833","0.0606","","","0.1818","0.2009","","","","","","1.065","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023552","6.2348","0.0005","15.1197","0.0013","13.0329","0.0011","90","","93.737","0.002","90","","1225.98","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 B F2 N2 O -","- C14 H11 B F2 N2 O -","- C56 H44 B4 F8 N8 O4 -","4","1","","Alexander D. Dilman; Dmitry E. Arkhipov; Vitalij V. Levin; Pavel A. Belyakov; Alexander A. Korlyukov; Marina I. Struchkova; Vladimir A. Tartakovsky","Trifluoromethylation of N-Benzoylhydrazones","Journal of Organic Chemistry","2008","73","","5643","5646","10.1021/jo800782w","","","0.71073","MoKα","","0.0742","0.0451","","","0.1072","0.12","","","","","","1.007","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023553","17.9043","0.0018","17.9043","0.0018","28.214","0.004","90","","90","","120","","7832.7","1.5","298","2","298","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- C66 H60 -","- C66 H60 -","- C396 H360 -","6","0.166667","","M. Jalilur Rahman; Jun Yamakawa; Aoi Matsumoto; Hideo Enozawa; Tohru Nishinaga; Kenji Kamada; Masahiko Iyoda","Synthesis of Nonaphenylenes and Dodecaphenylenes Using Electron-Transfer Oxidation of Lipshutz Cuprates and Formation of Nanostructural Materials from Hexadodecyloxynonaphenylene","Journal of Organic Chemistry","2008","73","","5542","5548","10.1021/jo800787u","","","0.71069","MoKα","","0.1523","0.0542","","","0.1612","0.1985","","","","","","1.007","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023554","15.618","0.002","8.3232","0.0013","11.3913","0.0018","90","","90","","90","","1480.8","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Thong X. Nguyen; Yoshihisa Kobayashi","Synthesis of the Common Propellane Core Structure of the Hasubanan Alkaloids","Journal of Organic Chemistry","2008","73","","5536","5541","10.1021/jo800793s","","","0.71073","MoKα","","0.0485","0.0458","","","0.1058","0.1079","","","","","","1.055","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023555","9.3654","0.0011","15.8101","0.0018","11.4331","0.0014","90","","102.45","0.002","90","","1653.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Shi Tang; Peng Peng; Ping Zhong; Jin-Heng Li","Palladium-Catalyzed C-H Functionalization of N-Arylpropiolamides with Aryliodonium Salts: Selective Synthesis of 3-(1-Arylmethylene)oxindoles","Journal of Organic Chemistry","2008","73","","5476","5480","10.1021/jo8008808","","","0.71073","MoKα","","0.112","0.0899","","","0.2957","0.3227","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023556","10.5803","0.0014","23.761","0.003","4.9298","0.0007","90","","90","","90","","1239.3","0.3","113","2","113","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C72 H48 O12 -","4","1","","Wen-Zhi Xu; Zhi-Tang Huang; Qi-Yu Zheng","Synthesis of Benzo[c]xanthones from 2-Benzylidene-1-tetralones by the Ultraviolet Radiation-Mediated Tandem Reaction","Journal of Organic Chemistry","2008","73","","5606","5608","10.1021/jo8008929","","","0.7107","MoKα","","0.0467","0.0439","","","0.1097","0.1114","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023557","13.8516","0.0013","14.1773","0.0013","16.0411","0.0015","70.395","0.002","70.285","0.002","71.936","0.002","2723.8","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H59 N13 O16 -","- C56 H59 N13 O16 -","- C112 H118 N26 O32 -","2","1","","Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs","Self-Sorting Molecular Clips","Journal of Organic Chemistry","2008","73","","5915","5925","10.1021/jo8009424","","","0.71073","MoKα","","0.0771","0.0445","","","0.1119","0.1241","","","","","","0.995","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023558","15.4848","0.0005","16.8763","0.0005","22.1548","0.0007","87.8303","0.0012","70.8776","0.0011","83.9976","0.0011","5440.1","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H105.5 Cl4 N20.5 O28 -","- C106.96 H105.5 Cl4 N20.5 O28 -","- C213.92 H211 Cl8 N41 O56 -","2","1","","Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs","Self-Sorting Molecular Clips","Journal of Organic Chemistry","2008","73","","5915","5925","10.1021/jo8009424","","","0.71073","MoKα","","0.0936","0.0679","","","0.1976","0.2131","","","","","","0.995","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023559","17.9029","0.0006","20.2161","0.0007","20.8712","0.0007","66.916","0.001","77.288","0.001","68.366","0.001","6434.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C252 H303 N48 O83.5 -","- C252.04 H303.1 N48 O83.5 -","- C252.04 H303.1 N48 O83.5 -","1","0.5","","Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs","Self-Sorting Molecular Clips","Journal of Organic Chemistry","2008","73","","5915","5925","10.1021/jo8009424","","","0.71073","MoKα","","0.0815","0.0669","","","0.2022","0.2179","","","","","","1.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023560","16.7331","0.001","11.8298","0.0007","16.488","0.001","90","","104.605","0.001","90","","3158.3","0.3","220","2","220","2","","","","","","","","4","P 1 c 1","P -2yc","7","CT","CT","","- C62 H74.5 N15.5 O14 -","- C56 H58 N10 O14 -","- C112 H116 N20 O28 -","2","1","","Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs","Self-Sorting Molecular Clips","Journal of Organic Chemistry","2008","73","","5915","5925","10.1021/jo8009424","","","0.71073","MoKα","","0.05","0.0439","","","0.0966","0.0993","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023561","58.514","0.009","14.196","0.002","32.059","0.005","90","","112.289","0.002","90","","24641","7","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Two intrpenetrating arcs","Two intrpenetrating arcs","","- C57.56 H61.34 N13.78 O16 -","- C56 H59 N13 O16 -","- C896 H944 N208 O256 -","16","2","","Soumyadip Ghosh; Anxin Wu; James C. Fettinger; Peter Y. Zavalij; Lyle Isaacs","Self-Sorting Molecular Clips","Journal of Organic Chemistry","2008","73","","5915","5925","10.1021/jo8009424","","","0.71073","MoKα","","0.0802","0.0618","","","0.1413","0.1485","","","","","","1","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023562","8.9189","0.0009","15.2396","0.0015","13.4112","0.0013","90","","103.511","0.002","90","","1772.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F O4 S2 -","- C19 H15 F O4 S2 -","- C76 H60 F4 O16 S8 -","4","1","","Chuanfa Ni; Laijun Zhang; Jinbo Hu","Nucleophilic Fluoroalkylation of α,β-Enones, Arynes, and Alkynes with Fluorinated Sulfones: Probing the Hard/Soft Nature of Fluorinated Carbanions","Journal of Organic Chemistry","2008","73","","5699","5713","10.1021/jo702479z","","","0.71073","MoKα","","0.0551","0.0447","","","0.1185","0.1243","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023563","16.2012","0.0012","16.2809","0.0012","19.432","0.0014","90","","104.247","0.001","90","","4967.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 F O5 S2 -","- C28 H21 F O5 S2 -","- C224 H168 F8 O40 S16 -","8","1","","Chuanfa Ni; Laijun Zhang; Jinbo Hu","Nucleophilic Fluoroalkylation of α,β-Enones, Arynes, and Alkynes with Fluorinated Sulfones: Probing the Hard/Soft Nature of Fluorinated Carbanions","Journal of Organic Chemistry","2008","73","","5699","5713","10.1021/jo702479z","","","0.71073","MoKα","","0.0663","0.0496","","","0.126","0.1351","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023566","13.106","0.0014","13.467","0.004","21.4629","0.0019","76.369","0.016","74.335","0.009","73.248","0.016","3441.1","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 N6 O9 -","- C70 H92 N6 O9 -","- C140 H184 N12 O18 -","2","1","","Roymon Joseph; Balaji Ramanujam; Amitabha Acharya; Anupam Khutia; Chebrolu P. Rao","Experimental and Computational Studies of Selective Recognition of Hg^2+^ by Amide Linked Lower Rim 1,3-Dibenzimidazole Derivative of Calix[4]arene: Species Characterization in Solution and that in the Isolated Complex, Including the Delineation of the Nanostructures","Journal of Organic Chemistry","2008","73","","5745","5758","10.1021/jo800073g","","","0.71073","MoKα","","0.1328","0.071","","","0.2002","0.226","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023567","10.164","0.005","16.251","0.005","23.654","0.005","97.756","0.005","99.898","0.005","96.042","0.005","3781","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H88 Cl6 N2 O6 -","- C78 H88 Cl6 N2 O6 -","- C156 H176 Cl12 N4 O12 -","2","1","","Roymon Joseph; Balaji Ramanujam; Amitabha Acharya; Anupam Khutia; Chebrolu P. Rao","Experimental and Computational Studies of Selective Recognition of Hg^2+^ by Amide Linked Lower Rim 1,3-Dibenzimidazole Derivative of Calix[4]arene: Species Characterization in Solution and that in the Isolated Complex, Including the Delineation of the Nanostructures","Journal of Organic Chemistry","2008","73","","5745","5758","10.1021/jo800073g","","","0.71069","MoKα","","0.1313","0.0736","","","0.1862","0.2255","","","","","","1.026","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023568","22.288","","21.722","","22.3","","90","","93.24","","90","","10778.4","","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H76 N4 O7 -","- C61 H76 N4 O7 -","- C488 H608 N32 O56 -","8","1","","Roymon Joseph; Balaji Ramanujam; Amitabha Acharya; Anupam Khutia; Chebrolu P. Rao","Experimental and Computational Studies of Selective Recognition of Hg^2+^ by Amide Linked Lower Rim 1,3-Dibenzimidazole Derivative of Calix[4]arene: Species Characterization in Solution and that in the Isolated Complex, Including the Delineation of the Nanostructures","Journal of Organic Chemistry","2008","73","","5745","5758","10.1021/jo800073g","","","0.71073","MoKα","","0.0879","0.0543","","","0.1493","0.176","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023569","14.4663","0.0004","26.1325","0.0007","17.0631","0.0005","90","","96.133","0.003","90","","6413.6","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C136 H164 N4 O21 -","- C136 H164 N4 O21 -","- C272 H328 N8 O42 -","2","1","","Roymon Joseph; Balaji Ramanujam; Amitabha Acharya; Anupam Khutia; Chebrolu P. Rao","Experimental and Computational Studies of Selective Recognition of Hg^2+^ by Amide Linked Lower Rim 1,3-Dibenzimidazole Derivative of Calix[4]arene: Species Characterization in Solution and that in the Isolated Complex, Including the Delineation of the Nanostructures","Journal of Organic Chemistry","2008","73","","5745","5758","10.1021/jo800073g","","","0.71073","MoKα","","0.1458","0.0863","","","0.1492","0.1814","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023570","7.7137","0.0002","9.7911","0.0002","12.1711","0.0002","96.256","0.001","107.428","0.001","96.456","0.001","861.55","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C17 H11 F3 N4 O6 -","- C17 H11 F3 N4 O6 -","- C34 H22 F6 N8 O12 -","2","1","","Christophe Pardin; William D. Lubell","Cinnamoyl Inhibitors of Tissue Transglutaminase","Journal of Organic Chemistry","2008","73","","5766","5775","10.1021/jo8004843","","","1.54178","CuKα","","0.0446","0.0398","","","0.1089","0.1134","","","","","","1.039","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023571","6.6748","0.0005","16.397","0.004","16.741","0.006","90","","90","","90","","1832.2","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","1","","Roman V. Ashirov; Grigory A. Shamov; Olga A. Lodochnikova; I. A. Litvynov; Svetlana A. Appolonova; Vitaly V. Plemenkov","Tetramerization of 3-Methyl-cyclopropene-3-carbonitrile: A Novel CN-Alder-ene Reaction","Journal of Organic Chemistry","2008","73","","5985","5988","10.1021/jo8005254","","","1.54184","CuKα","","0.1639","0.0774","","","0.1725","0.2137","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023572","5.98","0.001","12.644","0.001","16.522","0.001","98.568","0.008","89.637","0.01","92.129","0.01","1234.5","0.2","120","1","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C56 H64 O16 -","2","1","","Niculina Bogdan; Eric Condamine; Loïc Toupet; Yvan Ramondenc; Elena Bogdan; Ion Grosu","New [4.4]Cyclophanes: Molecular Parallelograms, Triangles, Rhombuses, Pentagons, and Supramolecular Constructions","Journal of Organic Chemistry","2008","73","","5831","5838","10.1021/jo8006489","","","0.71073","MoKα","","0.0504","0.0432","","","0.1374","0.1513","","","","","","1.13","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023573","10.8097","0.0005","13.1636","0.0006","18.3429","0.0009","90","","100.287","0.001","90","","2568.1","0.2","120","1","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C112 H128 O32 -","4","1","","Niculina Bogdan; Eric Condamine; Loïc Toupet; Yvan Ramondenc; Elena Bogdan; Ion Grosu","New [4.4]Cyclophanes: Molecular Parallelograms, Triangles, Rhombuses, Pentagons, and Supramolecular Constructions","Journal of Organic Chemistry","2008","73","","5831","5838","10.1021/jo8006489","","","0.71069","MoKα","","0.0564","0.0391","","","0.0988","0.11","","","","","","1.009","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023574","9.1893","0.0009","10.821","0.001","14.446","0.001","71.677","0.003","84.771","0.003","67.218","0.003","1256.49","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C56 H64 O16 -","2","1","","Niculina Bogdan; Eric Condamine; Loïc Toupet; Yvan Ramondenc; Elena Bogdan; Ion Grosu","New [4.4]Cyclophanes: Molecular Parallelograms, Triangles, Rhombuses, Pentagons, and Supramolecular Constructions","Journal of Organic Chemistry","2008","73","","5831","5838","10.1021/jo8006489","","","0.71069","MoKα","","0.0644","0.0456","","","0.12","0.1303","","","","","","1.035","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023575","6.4201","0.0006","26.907","0.002","26.903","0.002","59.98","0.002","90.024","0.002","90.006","0.002","4023.9","0.6","120","1","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H96 O24 -","- C84 H96 O24 -","- C168 H192 O48 -","2","1","","Niculina Bogdan; Eric Condamine; Loïc Toupet; Yvan Ramondenc; Elena Bogdan; Ion Grosu","New [4.4]Cyclophanes: Molecular Parallelograms, Triangles, Rhombuses, Pentagons, and Supramolecular Constructions","Journal of Organic Chemistry","2008","73","","5831","5838","10.1021/jo8006489","","","0.71073","MoKα","","0.2534","0.0772","","","0.1758","0.2435","","","","","","0.918","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023576","11.3654","0.0006","15.5616","0.0009","19.293","0.001","111.848","0.005","91.947","0.004","106.882","0.004","2991.6","0.3","120","1","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 Cl6 O16 -","- C58 H66 Cl6 O16 -","- C116 H132 Cl12 O32 -","2","1","","Niculina Bogdan; Eric Condamine; Loïc Toupet; Yvan Ramondenc; Elena Bogdan; Ion Grosu","New [4.4]Cyclophanes: Molecular Parallelograms, Triangles, Rhombuses, Pentagons, and Supramolecular Constructions","Journal of Organic Chemistry","2008","73","","5831","5838","10.1021/jo8006489","","","0.71073","MoKα","","0.1588","0.0799","","","0.1805","0.223","","","","","","1.004","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023577","8.81","0.002","15.228","0.002","13.196","0.003","89.92","0.013","108.191","0.013","89.948","0.014","1682","0.6","295","","295","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","1","","Maxime Vitale; Guillaume Prestat; David Lopes; David Madec; Claire Kammerer; Giovanni Poli; Leonard Girnita","New Picropodophyllin Analogs via Palladium-Catalyzed Allylic Alkylation-Hiyama Cross-Coupling Sequences","Journal of Organic Chemistry","2008","73","","5795","5805","10.1021/jo800707q","","","0.71073","MoKα","","0.1975","0.0979","","0.1767","0.1019","0.1019","","","","","","1.0942","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4023578","19.9469","0.0019","9.2689","0.0008","22.477","0.002","90","","113.226","0.007","90","","3818.8","0.6","295","","295","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O8 -","- C22 H20 O8 -","- C176 H160 O64 -","8","1","","Maxime Vitale; Guillaume Prestat; David Lopes; David Madec; Claire Kammerer; Giovanni Poli; Leonard Girnita","New Picropodophyllin Analogs via Palladium-Catalyzed Allylic Alkylation-Hiyama Cross-Coupling Sequences","Journal of Organic Chemistry","2008","73","","5795","5805","10.1021/jo800707q","","","0.71073","MoKα","","0.1057","0.0535","","0.0674","0.0512","0.0512","","","","","","1.0558","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4023579","7.0649","0.0002","13.1724","0.0004","30.7817","0.0008","90","","90","","90","","2864.6","0.14","150","2","150","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","2","","Victorio Cadierno; Josefina Díez; José Gimeno; Noel Nebra","Ruthenium/TFA-Catalyzed Coupling of Activated Secondary Propargylic Alcohols with Cyclic 1,3-Diones: Furan versus Pyran Ring Formation","Journal of Organic Chemistry","2008","73","","5852","5858","10.1021/jo800726u","","","0.71073","MoKα","","0.0745","0.0422","","","0.0959","0.1318","","","","","","0.853","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023580","9.9439","0.0004","6.1791","0.0003","17.0548","0.0007","90","","100.571","0.003","90","","1030.14","0.08","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Victorio Cadierno; Josefina Díez; José Gimeno; Noel Nebra","Ruthenium/TFA-Catalyzed Coupling of Activated Secondary Propargylic Alcohols with Cyclic 1,3-Diones: Furan versus Pyran Ring Formation","Journal of Organic Chemistry","2008","73","","5852","5858","10.1021/jo800726u","","","0.71073","MoKα","","0.0761","0.0538","","","0.1536","0.1952","","","","","","1.094","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023581","14.997","0.0007","16.5112","0.0008","20.8902","0.001","89.845","0.003","77.689","0.003","69.656","0.002","4724.2","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","8,19-Diacetoxy-(7a,9a,18a,20a)-7,9,18,20-tetrahydro- 7,20:9,18-dimethanononaphthacene","","- C58 H34 Cl6 O4 -","- C58 H35 Cl6 O4 -","- C232 H140 Cl24 O16 -","4","2","","Barbara Branchi; Vincenzo Balzani; Paola Ceroni; Mireia Campañá Kuchenbrandt; Frank-Gerrit Klärner; Dieter Bläser; Roland Boese","Molecular Clips with Extended Aromatic Sidewalls as Receptors for Electron-Acceptor Molecules. Synthesis and NMR, Photophysical, and Electrochemical Properties","Journal of Organic Chemistry","2008","73","","5839","5851","10.1021/jo8007513","","","0.71073","MoKα","","0.1496","0.0915","","","0.2205","0.2878","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023582","34.167","0.003","14.8708","0.0015","22.173","0.002","90","","117.776","0.002","90","","9967.8","1.7","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","8,19-Dimethoxy-(7a,9a,18a,20a)-7,9,18,20-tetrahydro- 7,20:9,18-dimethanononaphthacene tetracyanobenzene","","- C61 H37 Cl6 N2 O2 -","- C61 H37 Cl6 N2 O2 -","- C488 H296 Cl48 N16 O16 -","8","1","","Barbara Branchi; Vincenzo Balzani; Paola Ceroni; Mireia Campañá Kuchenbrandt; Frank-Gerrit Klärner; Dieter Bläser; Roland Boese","Molecular Clips with Extended Aromatic Sidewalls as Receptors for Electron-Acceptor Molecules. Synthesis and NMR, Photophysical, and Electrochemical Properties","Journal of Organic Chemistry","2008","73","","5839","5851","10.1021/jo8007513","","","0.71073","MoKα","","0.2173","0.0865","","","0.2122","0.2868","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023583","9.5766","0.0005","11.6275","0.0006","22.7883","0.0012","90","","90","","90","","2537.5","0.2","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N4 O2 -","- C30 H30 N4 O2 -","- C120 H120 N16 O8 -","4","1","","Gabriela Guillena; María del Carmen Hita; Carmen Nájera; Santiago F. Viózquez","A Highly Efficient Solvent-Free Asymmetric Direct Aldol Reaction Organocatalyzed by Recoverable (S)-Binam-l-Prolinamides. ESI-MS Evidence of the Enamine-Iminium Formation","Journal of Organic Chemistry","2008","73","","5933","5943","10.1021/jo800773q","","","0.71073","MoKα","","0.0703","0.0549","","","0.1358","0.1453","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023584","8.2321","0.0005","13.9353","0.0008","17.6655","0.0011","90","","90","","90","","2026.5","0.2","296","2","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Gabriela Guillena; María del Carmen Hita; Carmen Nájera; Santiago F. Viózquez","A Highly Efficient Solvent-Free Asymmetric Direct Aldol Reaction Organocatalyzed by Recoverable (S)-Binam-l-Prolinamides. ESI-MS Evidence of the Enamine-Iminium Formation","Journal of Organic Chemistry","2008","73","","5933","5943","10.1021/jo800773q","","","0.71073","MoKα","","0.058","0.0424","","","0.1119","0.1222","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023585","5.684","0.002","6.682","0.002","36.02","0.02","90","","90","","90","","1368.1","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Adam Sniady; Audrey Durham; Marco S. Morreale; Andrzej Marcinek; Slawomir Szafert; Tadeusz Lis; Krystyna R. Brzezinska; Takanori Iwasaki; Takashi Ohshima; Kazushi Mashima; Roman Dembinski","Zinc-Catalyzed Cycloisomerizations. Synthesis of Substituted Furans and Furopyrimidine Nucleosides","Journal of Organic Chemistry","2008","73","","5881","5889","10.1021/jo8007995","","","0.71073","MoKα","","0.0589","0.0521","","","0.115","0.1176","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023586","12.0672","0.0014","15.2049","0.0018","33.606","0.004","90","","90","","90","","6166","1.3","90","","90","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C51 H44 Cl9 D3 F6 O10 P2 Pd S2 -","- C51 H44 Cl9 D3 F6 O10 P2 Pd S2 -","- C204 H176 Cl36 D12 F24 O40 P8 Pd4 S8 -","4","1","","Christian Dubs; Yoshitaka Hamashima; Naoki Sasamoto; Thomas M. Seidel; Shoko Suzuki; Daisuke Hashizume; Mikiko Sodeoka","Mechanistic Studies on the Catalytic Asymmetric Mannich-Type Reaction with Dihydroisoquinolines and Development of Oxidative Mannich-Type Reactions Starting from Tetrahydroisoquinolines","Journal of Organic Chemistry","2008","73","","5859","5871","10.1021/jo800800y","","","0.71073","MoKα","","0.0358","0.0344","","","0.0757","0.0766","","","","","","1.071","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023587","8.675","0.002","15.232","0.004","11.263","0.003","90","","99.373","0.004","90","","1468.5","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","2","","Christian Dubs; Yoshitaka Hamashima; Naoki Sasamoto; Thomas M. Seidel; Shoko Suzuki; Daisuke Hashizume; Mikiko Sodeoka","Mechanistic Studies on the Catalytic Asymmetric Mannich-Type Reaction with Dihydroisoquinolines and Development of Oxidative Mannich-Type Reactions Starting from Tetrahydroisoquinolines","Journal of Organic Chemistry","2008","73","","5859","5871","10.1021/jo800800y","","","0.71073","MoKα","","0.0646","0.0489","","","0.097","0.1085","","","","","","1.018","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023588","20.757","0.007","10.663","0.002","22.319","0.005","90","","90","","90","","4940","2","100","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C42 H58 F12 N2 O15 P2 -","- C42 H58 F12 N2 O15 P2 -","- C168 H232 F48 N8 O60 P8 -","4","0.5","","Chunlin He; Zuming Shi; Qizhong Zhou; Shijun Li; Ning Li; Feihe Huang","Syntheses of cis- and trans-Dibenzo-30-Crown-10 Derivatives via Regioselective Routes and Their Complexations with Paraquat and Diquat","Journal of Organic Chemistry","2008","73","","5872","5880","10.1021/jo800890x","","","0.71073","MoKα","","0.2549","0.1309","","","0.3018","0.3829","","","","","","1.068","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023589","11.3885","0.0013","18.885","0.002","22.602","0.003","90","","90","","90","","4861","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 F12 N2 O12 P2 -","- C42 H56 F12 N2 O12 P2 -","- C168 H224 F48 N8 O48 P8 -","4","1","","Chunlin He; Zuming Shi; Qizhong Zhou; Shijun Li; Ning Li; Feihe Huang","Syntheses of cis- and trans-Dibenzo-30-Crown-10 Derivatives via Regioselective Routes and Their Complexations with Paraquat and Diquat","Journal of Organic Chemistry","2008","73","","5872","5880","10.1021/jo800890x","","","0.71073","MoKα","","0.1361","0.0715","","","0.1757","0.2","","","","","","0.878","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023590","8.0329","0.0005","14.4154","0.0019","14.0598","0.0017","90","","96.782","0.006","90","","1616.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Andrey S. Plaskon; Sergey V. Ryabukhin; Dmitriy M. Volochnyuk; Konstantin S. Gavrilenko; Alexander N. Shivanyuk; Andrey A. Tolmachev","Synthesis of Quinolines from 3-Formylchromone","Journal of Organic Chemistry","2008","73","","6010","6013","10.1021/jo800950y","","x-ray","0.71073","MoKα","","0.1177","0.0568","","","0.1323","0.1653","","","","","","0.97","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023591","14.0304","0.0009","14.6037","0.0009","25.6883","0.0016","90","","92.926","0.001","90","","5256.6","0.6","173","1","173","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H36 N12 O4.5 Ti -","- C20 H36 N12 O4.5 Ti -","- C160 H288 N96 O36 Ti8 -","8","1","","Tal Hermon; Edit Y. Tshuva","Synthesis and Conformational Analysis of Constrained Ethylene-Bridged Bis(hydroxylamino-1,3,5-triazine) Compounds as Tetradentate Ligands; Structure of Rigid Dinuclear Ti(IV) Complex","Journal of Organic Chemistry","2008","73","","5953","5958","10.1021/jo800966s","","","0.71073","MoKα","","0.0558","0.0505","","","0.114","0.117","","","","","","1.169","","","","has coordinates","271475","2021-12-16","11:44:09",""
"4023592","10.58","0.003","12.585","0.003","18.065","0.004","89.161","0.005","76.392","0.005","82.305","0.005","2316.2","1","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N12 O12 Ti -","- C34 H54 N12 O12 Ti -","- C68 H108 N24 O24 Ti2 -","2","1","","Tal Hermon; Edit Y. Tshuva","Synthesis and Conformational Analysis of Constrained Ethylene-Bridged Bis(hydroxylamino-1,3,5-triazine) Compounds as Tetradentate Ligands; Structure of Rigid Dinuclear Ti(IV) Complex","Journal of Organic Chemistry","2008","73","","5953","5958","10.1021/jo800966s","","","0.71073","MoKα","","0.3359","0.1618","","","0.4253","0.4964","","","","","","1.14","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023593","6.4774","0.0002","19.6666","0.0006","9.2831","0.0002","90","","104.001","0.002","90","","1147.43","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O2 -","- C25 H34 N2 O2 -","- C50 H68 N4 O4 -","2","1","","José M. Concellón; Ignacio A. Rivero; Humberto Rodríguez-Solla; Carmen Concellón; Estibaly España; Santiago García-Granda; M. R. Díaz","Totally Selective Synthesis of Enantiopure (3S,5S)- and (3R,5R)-4-Amino-3,5-dihydroxypiperidines from Aminodiepoxides Derived from Serine","Journal of Organic Chemistry","2008","73","","6048","6051","10.1021/jo801058c","","","1.5418","CuKα","","0.0472","0.0438","","","0.112","0.116","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023594","7.7559","0.0009","19.609","0.002","30.304","0.004","90","","90","","90","","4608.8","0.9","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","bicorannulenyl","bicorannulenyl","","- C40 H18 -","- C40 H18 -","- C320 H144 -","8","1","","David Eisenberg; Alexander S. Filatov; Edward A. Jackson; Mordecai Rabinovitz; Marina A. Petrukhina; Lawrence T. Scott; Roy Shenhar","Bicorannulenyl: Stereochemistry of a C~40~H~18~ Biaryl Composed of Two Chiral Bowls","Journal of Organic Chemistry","2008","73","","6073","6078","10.1021/jo800359z","","","0.71073","MoKα","","0.2063","0.0681","","","0.0801","0.1082","","","","","","1.049","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023595","4.608","0.002","9.424","0.004","17.933","0.007","90.869","0.005","95.234","0.01","103.709","0.009","752.8","0.6","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H52 O2 -","- C36 H52 O2 -","- C36 H52 O2 -","1","0.5","","Mark A. Penick; Mathew P. D. Mahindaratne; Robert D. Gutierrez; Terrill D. Smith; Edward R. T. Tiekink; George R. Negrete","Tandem Friedel-Crafts Annulation to Novel Perylene Analogues","Journal of Organic Chemistry","2008","73","","6378","6381","10.1021/jo800558c","","","0.71069","MoKα","","0.08","0.072","","","0.197","0.208","","","","","","1.09","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023596","8.3561","0.0007","12.8816","0.0011","16.2094","0.0016","102.745","0.003","96.79","0.003","98.336","0.002","1663.3","0.3","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C76 H64 N8 O8 S4 -","4","2","","Yusuke Takezawa; Kentaro Tanaka; Maiko Yori; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","Soft Metal-Mediated Base Pairing with Novel Synthetic Nucleosides Possessing an O,S-Donor Ligand","Journal of Organic Chemistry","2008","73","","6092","6098","10.1021/jo800587d","","","0.71075","MoKα","","","0.0462","","","","0.167","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023597","6.8947","0.0008","10.767","0.001","15.24","0.003","90","","90","","90","","1131.4","0.3","93.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 S -","- C11 H15 N O4 S -","- C44 H60 N4 O16 S4 -","4","1","","Yusuke Takezawa; Kentaro Tanaka; Maiko Yori; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","Soft Metal-Mediated Base Pairing with Novel Synthetic Nucleosides Possessing an O,S-Donor Ligand","Journal of Organic Chemistry","2008","73","","6092","6098","10.1021/jo800587d","","","0.7107","MoKα","","","0.0269","","","","0.066","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023598","7.7416","0.0016","19.858","0.004","22.881","0.006","90","","90","","90","","3517.6","1.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H37 Co2 N O8 Si -","- C35 H37 Co2 N O8 Si -","- C140 H148 Co8 N4 O32 Si4 -","4","1","","Mahesh K. Pallerla; Glenn P. A. Yap; Joseph M. Fox","Co-Complexes Derived from Alkene Insertion to Alkyne-Dicobaltpentacarbonyl Complexes: Insight into the Regioselectivity of Pauson-Khand Reactions of Cyclopropenes","Journal of Organic Chemistry","2008","73","","6137","6141","10.1021/jo800776z","","","0.71073","MoKα","","0.0794","0.0517","","","0.1027","0.1174","","","","","","1.076","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023599","9.8375","0.0018","32.245","0.006","9.035","0.0017","90","","114.599","0.003","90","","2605.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Co2 O7 Si2 -","- C20 H28 Co2 O7 Si2 -","- C80 H112 Co8 O28 Si8 -","4","1","","Mahesh K. Pallerla; Glenn P. A. Yap; Joseph M. Fox","Co-Complexes Derived from Alkene Insertion to Alkyne-Dicobaltpentacarbonyl Complexes: Insight into the Regioselectivity of Pauson-Khand Reactions of Cyclopropenes","Journal of Organic Chemistry","2008","73","","6137","6141","10.1021/jo800776z","","","0.71073","MoKα","","0.0708","0.0597","","","0.1507","0.1585","","","","","","1.061","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023600","7.849","0.004","9.768","0.009","17.364","0.008","90","","98.86","0.04","90","","1315.4","1.5","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 F3 N O2 -","- C26 H36 F3 N O2 -","- C52 H72 F6 N2 O4 -","2","1","","Sophie Lauzon; François Tremblay; David Gagnon; Cédrickx Godbout; Christine Chabot; Catherine Mercier-Shanks; Stéphane Perreault; Hélène DeSève; Claude Spino","Sterically Biased 3,3-Sigmatropic Rearrangement of Chiral Allylic Azides: Application to the Total Syntheses of Alkaloids","Journal of Organic Chemistry","2008","73","","6239","6250","10.1021/jo800817p","","","1.54176","CuKα","","0.0865","0.072","","","0.1949","0.2087","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023601","8.3847","0.001","11.1611","0.0014","14.8806","0.0018","103.655","0.003","98.201","0.003","107.701","0.003","1254.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O5 -","- C28 H28 N4 O5 -","- C56 H56 N8 O10 -","2","1","","Chenliang Su; Xian Huang; Qingyang Liu","CAN-Mediated Highly Regio- and Stereoselective Oxidation of Vinylidenecyclopropanes: A Novel Method for the Synthesis of Unsymmetrical Divinyl Ketone and Functional Enone Derivatives","Journal of Organic Chemistry","2008","73","","6421","6424","10.1021/jo800829a","","","0.71073","MoKα","","0.1624","0.0659","","","0.1558","0.2479","","","","","","0.854","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023602","11.9908","0.0014","18.563","0.002","15.3829","0.0017","90","","95.461","0.007","90","","3408.5","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H42 O11 S -","- C34 H42 O11 S -","- C136 H168 O44 S4 -","4","2","","Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto","Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol","Journal of Organic Chemistry","2008","73","","6172","6181","10.1021/jo800855n","","","0.71073","MoKα","","0.0855","0.0467","","","0.1086","0.1282","","","","","","1.009","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023603","23.975","0.003","23.975","0.003","9.5693","0.001","90","","90","","120","","4763.5","0.9","150","2","150","2","","","","","","","","3","P 63","P 6c","173","","","","- C27 H36 O9 -","- C27 H36 O9 -","- C162 H216 O54 -","6","1","","Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto","Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol","Journal of Organic Chemistry","2008","73","","6172","6181","10.1021/jo800855n","","","0.7749","synchrotron","","0.0856","0.0712","","","0.207","0.2201","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023604","13.305","0.0013","14.0637","0.001","19.9902","0.0018","90","","90","","90","","3740.5","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 O9 -","- C41 H48 O9 -","- C164 H192 O36 -","4","1","","Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto","Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol","Journal of Organic Chemistry","2008","73","","6172","6181","10.1021/jo800855n","","","0.71073","MoKα","","0.089","0.0425","","","0.0804","0.0963","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023605","8.071","0.001","25.085","0.003","9.142","0.0012","90","","111.089","0.002","90","","1726.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 3","1-(9-isopropyl-9H-fluoren-9-yl)-2,2-dimethylpropan-1-one","","- C21 H24 O -","- C21 H24 O -","- C84 H96 O4 -","4","1","","Daniele Casarini; Lodovico Lunazzi; Andrea Mazzanti","Stereomutation of Conformational Enantiomers of 9-Isopropyl-9-formylfluorene and Related Acyl Derivatives","Journal of Organic Chemistry","2008","73","","6382","6385","10.1021/jo8008897","","","0.71073","MoKα","","0.0576","0.0478","","","0.1648","0.1726","","","","","","1.892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023606","5.1187","0.0004","8.2508","0.0007","28.156","0.002","90","","90","","90","","1189.14","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Steven R. Angle; Inchang Choi; Fook S. Tham","Stereoselective Synthesis of 3-Alkyl-2-aryltetrahydrofuran-4-ols: Total Synthesis of (\±)-Paulownin","Journal of Organic Chemistry","2008","73","","6268","6278","10.1021/jo800901r","","","0.71073","MoKα","","0.047","0.0371","","","0.0887","0.0921","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023607","9.8258","0.0017","10.8177","0.0019","11.603","0.002","65.954","0.005","74.125","0.006","83.048","0.005","1083.2","0.3","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O6 -","- C25 H23 N O6 -","- C50 H46 N2 O12 -","2","1","","Steven R. Angle; Inchang Choi; Fook S. Tham","Stereoselective Synthesis of 3-Alkyl-2-aryltetrahydrofuran-4-ols: Total Synthesis of (\±)-Paulownin","Journal of Organic Chemistry","2008","73","","6268","6278","10.1021/jo800901r","","","0.71073","MoKα","","0.0554","0.0426","","","0.1121","0.126","","","","","","1.025","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023608","10.3715","0.0015","14.02","0.002","7.6066","0.0012","102.699","0.013","97.108","0.014","109.078","0.012","996.6","0.3","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Shin-ya Tanaka; Nobuo Tagashira; Kouji Chiba; Makoto Yasuda; Akio Baba","Germanium(II)-Mediated Reductive Cross-Aldol Reaction of Bromoaldehydes with Aldehydes: NMR Studies and ab Initio Calculations","Journal of Organic Chemistry","2008","73","","6312","6320","10.1021/jo800904u","","","0.71069","MoKα","","","0.0528","","","","0.0647","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023609","19.1313","0.0015","11.0597","0.0009","22.016","0.0017","90","","91.234","0.002","90","","4657.2","0.7","273.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H48 Cl2 Ge N2 O2 -","- C46 H48 Cl2 Ge N2 O2 -","- C184 H192 Cl8 Ge4 N8 O8 -","4","1","","Shin-ya Tanaka; Nobuo Tagashira; Kouji Chiba; Makoto Yasuda; Akio Baba","Germanium(II)-Mediated Reductive Cross-Aldol Reaction of Bromoaldehydes with Aldehydes: NMR Studies and ab Initio Calculations","Journal of Organic Chemistry","2008","73","","6312","6320","10.1021/jo800904u","","","0.71075","MoKα","","","0.1799","","","","0.198","","","","","","15.755","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4023610","15.985","0.004","27.737","0.005","10.073","0.004","90","","90.3","0.03","90","","4466","2","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 O2 Si2 -","- C52 H52 O2 Si2 -","- C208 H208 O8 Si8 -","4","1","","Shin-ya Tanaka; Nobuo Tagashira; Kouji Chiba; Makoto Yasuda; Akio Baba","Germanium(II)-Mediated Reductive Cross-Aldol Reaction of Bromoaldehydes with Aldehydes: NMR Studies and ab Initio Calculations","Journal of Organic Chemistry","2008","73","","6312","6320","10.1021/jo800904u","","","0.71069","MoKα","","","0.0963","","","","0.1001","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023611","12.504","0.0004","5.695","0.0002","13.717","0.0004","90","0.002","96.026","0.002","90","0.002","971.39","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24 O4 S -","- C23 H24 O4 S -","- C46 H48 O8 S2 -","2","1","","Santiago Barroso; Gonzalo Blay; Lina Al-Midfa; M. Carmen Muñoz; José R. Pedro","Copper(II)-Bis(oxazoline) Catalyzed Asymmetric Diels-Alder Reaction with α-Arylsulfonyl Enones as Dienophiles","Journal of Organic Chemistry","2008","73","","6389","6392","10.1021/jo8009227","","","0.71073","MoKα","","0.0682","0.0431","","","0.0819","0.0893","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023612","13.2395","0.0001","15.6324","0.0001","12.7455","0.0001","90","","111.741","0.001","90","","2450.24","0.03","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","Paquette 1639","","","- C24 H24 Br2 N2 O4 S2 -","- C24 H24 Br2 N2 O4 S2 -","- C96 H96 Br8 N8 O16 S8 -","4","1","","Nicolas Proust; Judith C. Gallucci; Leo A. Paquette","Neighboring Group Participation by Sulfonamido Nitrogen","Journal of Organic Chemistry","2008","73","","6279","6282","10.1021/jo800952m","","x-ray","0.71073","MoKα","","0.0451","0.0334","","","0.0722","0.0755","","","","","","1.094","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023613","8.0838","0.0001","13.4772","0.0002","22.9987","0.0003","90","","98.69","0.001","90","","2476.87","0.06","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","Paquette 1642b","","","- C24 H24 Br2 N2 O4 S2 -","- C24 H24 Br2 N2 O4 S2 -","- C96 H96 Br8 N8 O16 S8 -","4","1","","Nicolas Proust; Judith C. Gallucci; Leo A. Paquette","Neighboring Group Participation by Sulfonamido Nitrogen","Journal of Organic Chemistry","2008","73","","6279","6282","10.1021/jo800952m","","x-ray","0.71073","MoKα","","0.0621","0.0372","","","0.088","0.0954","","","","","","1.055","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023614","9.0928","0.0001","12.0414","0.0002","12.3296","0.0002","65.429","0.001","85.26","0.001","78.033","0.001","1201.03","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Paquette 1629a","","","- C24 H23 Br N2 O4 S2 -","- C24 H23 Br N2 O4 S2 -","- C48 H46 Br2 N4 O8 S4 -","2","1","","Nicolas Proust; Judith C. Gallucci; Leo A. Paquette","Neighboring Group Participation by Sulfonamido Nitrogen","Journal of Organic Chemistry","2008","73","","6279","6282","10.1021/jo800952m","","x-ray","0.71073","MoKα","","0.0455","0.0342","","","0.0856","0.0908","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023615","8.9457","0.0001","15.7926","0.0001","16.122","0.0001","90","","90","","90","","2277.65","0.03","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Paquette 1630","","","- C24 H22 N2 O4 S2 -","- C24 H22 N2 O4 S2 -","- C96 H88 N8 O16 S8 -","4","1","","Nicolas Proust; Judith C. Gallucci; Leo A. Paquette","Neighboring Group Participation by Sulfonamido Nitrogen","Journal of Organic Chemistry","2008","73","","6279","6282","10.1021/jo800952m","","x-ray","0.71073","MoKα","","0.0429","0.0309","","","0.072","0.0764","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023616","10.6248","0.0009","10.8863","0.001","17.4021","0.0015","90","","90","","90","","2012.8","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O P2 S -","- C20 H28 O P2 S -","- C80 H112 O4 P8 S4 -","4","1","","Isabelle Bonnaventure; André B. Charette","Probing the Importance of the Hemilabile Site of Bis(phosphine) Monoxide Ligands in the Copper-Catalyzed Addition of Diethylzinc to N-Phosphinoylimines: Discovery of New Effective Chiral Ligands","Journal of Organic Chemistry","2008","73","","6330","6340","10.1021/jo800969x","","","1.54178","CuKα","","0.0446","0.0443","","","0.1172","0.1177","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023617","9.2647","0.0004","10.3599","0.0004","10.529","0.0005","99.983","0.003","93.624","0.003","107.887","0.003","939.84","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C19 H30 O P2 -","- C19 H30 O P2 -","- C38 H60 O2 P4 -","2","2","","Isabelle Bonnaventure; André B. Charette","Probing the Importance of the Hemilabile Site of Bis(phosphine) Monoxide Ligands in the Copper-Catalyzed Addition of Diethylzinc to N-Phosphinoylimines: Discovery of New Effective Chiral Ligands","Journal of Organic Chemistry","2008","73","","6330","6340","10.1021/jo800969x","","","1.54178","CuKα","","0.0907","0.0859","","","0.2115","0.2156","","","","","","1.098","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023618","9.152","0.0018","5.3065","0.0011","16.311","0.003","90","","104.65","0.03","90","","766.4","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H24 O7 -","- C14 H24 O7 -","- C28 H48 O14 -","2","1","","Shankar D. Markad; Shijing Xia; Nicole L. Snyder; Bikash Surana; Martha D. Morton; Christopher M. Hadad; Mark W. Peczuh","Stereoselectivity in the Epoxidation of Carbohydrate-Based Oxepines","Journal of Organic Chemistry","2008","73","","6341","6354","10.1021/jo800979a","","","0.71073","MoKα","","0.1746","0.0955","","","0.2251","0.2732","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023619","11.0731","0.0009","9.0461","0.0007","27.116","0.002","90","","96.247","0.0015","90","","2700","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19.33 H25.67 Cl0.67 N O4 -","- C19.3333 H25.6667 Cl0.666667 N O4 -","- C116 H154 Cl4 N6 O24 -","6","3","","Steven M. Allin; Sean N. Gaskell; Mark R. J. Elsegood; William P. Martin","Asymmetric Synthesis of Tetracyclic Benzo[a]quinolizidine Targets","Journal of Organic Chemistry","2008","73","","6448","6451","10.1021/jo801019h","","","0.71073","MoKα","","0.1595","0.0565","","","0.1022","0.1368","","","","","","0.988","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023620","7.5974","0.0006","8.9918","0.0007","14.688","0.0012","90","","94.5685","0.0013","90","","1000.21","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Cl2 N O4 -","- C20 H27 Cl2 N O4 -","- C40 H54 Cl4 N2 O8 -","2","1","","Steven M. Allin; Sean N. Gaskell; Mark R. J. Elsegood; William P. Martin","Asymmetric Synthesis of Tetracyclic Benzo[a]quinolizidine Targets","Journal of Organic Chemistry","2008","73","","6448","6451","10.1021/jo801019h","","","0.71073","MoKα","","0.0375","0.0347","","","0.0884","0.0908","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023621","7.3197","0.0005","9.0804","0.0006","28.5357","0.0018","90","","90","","90","","1896.6","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 B F4 N O3 -","- C19 H22 B F4 N O3 -","- C76 H88 B4 F16 N4 O12 -","4","1","","Steven M. Allin; Sean N. Gaskell; Mark R. J. Elsegood; William P. Martin","Asymmetric Synthesis of Tetracyclic Benzo[a]quinolizidine Targets","Journal of Organic Chemistry","2008","73","","6448","6451","10.1021/jo801019h","","","0.6904","synchrotron","","0.0549","0.0524","","","0.1483","0.1519","","","","","","1.113","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023622","12.1475","0.0004","5.8505","0.00018","14.4422","0.0008","90","","113.81","0.003","90","","939.03","0.07","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-benzyl-1-(p-bromophenyl)-1,2,3,4-tetrahydro-beta-carboline","","- C24 H21 Br N2 -","- C24 H21 Br N2 -","- C48 H42 Br2 N4 -","2","1","","Nishant V. Sewgobind; Martin J. Wanner; Steen Ingemann; René de Gelder; Jan H. van Maarseveen; Henk Hiemstra","Enantioselective BINOL-Phosphoric Acid Catalyzed Pictet-Spengler Reactions of N-Benzyltryptamine","Journal of Organic Chemistry","2008","73","","6405","6408","10.1021/jo8010478","","","0.71073","MoKα","","0.0754","0.0445","","0.0577","0.0524","0.0577","","","1.039","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023623","7.826","0.003","10.316","0.005","13.546","0.006","90.575","0.009","96.413","0.009","107.66","0.008","1034.5","0.8","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C46 H48 N4 O10 -","2","2","","Pei-Yu Kuo; Ding-Yah Yang","Design of a Coumarin-Based Triketone as a Fluorescent Protecting Group for Primary Amines","Journal of Organic Chemistry","2008","73","","6455","6458","10.1021/jo801060p","","","0.71073","MoKα","","0.0693","0.0506","","","0.1366","0.1518","","","","","","1.046","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023624","7.2347","0.0008","7.4914","0.0009","12.4921","0.0014","81.256","0.002","79.215","0.002","62.15","0.002","586.42","0.12","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Pei-Yu Kuo; Ding-Yah Yang","Design of a Coumarin-Based Triketone as a Fluorescent Protecting Group for Primary Amines","Journal of Organic Chemistry","2008","73","","6455","6458","10.1021/jo801060p","","x-ray","0.71073","MoKα","","0.0688","0.0635","","","0.2033","0.2142","","","","","","1.256","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023625","10.9098","0.0008","21.5016","0.0016","10.3485","0.0008","90","","90","","90","","2427.5","0.3","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Jhillu S. Yadav; Basi V. Subba Reddy; Nagendra Nath Yadav; Manoj K. Gupta; Balasubramanian Sridhar","Gold(III) Chloride-Catalyzed Three-Component Reaction: A Facile Synthesis of Alkynyl Derivatives of 1,2-Dihydroquinolines and Isoquinolines","Journal of Organic Chemistry","2008","73","","6857","6859","10.1021/jo8007034","","","0.71073","MoKα","","0.0646","0.0503","","","0.124","0.1398","","","","","","1.153","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023626","10.2154","0.0008","21.8191","0.0017","11.5734","0.0009","90","","106.447","0.002","90","","2474.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O5 S2 -","- C24 H29 N O5 S2 -","- C96 H116 N4 O20 S8 -","4","2","","Belén Vázquez; Raquel Pereira; Martιn Pérez; Rosana Álvarez; Angel R. de Lera","Stereoselective Stille Coupling of Enantiopure Haloallenes and Alkenylstannanes for the Synthesis of Allenyl Carotenoids. Experimental and Computational Studies","Journal of Organic Chemistry","2008","73","","6534","6541","10.1021/jo800756b","","","0.71073","MoKα","","0.06","0.04","","","0.0652","0.0695","","","","","","0.862","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023627","9.192","0.003","9.691","0.011","10.351","0.004","67.9","0.06","87.58","0.03","83.57","","848.9","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","2","","Pelayo Camps; Tània Gómez; Diego Muñoz-Torrero; Jordi Rull; Laura Sánchez; Francesca Boschi; Mauro Comes-Franchini; Alfredo Ricci; Teresa Calvet; Mercè Font-Bardia; Erik De Clercq; Lieve Naesens","Synthesis and Absolute Configuration of Novel N,O-Psiconucleosides Using (R)-N-Phenylpantolactam as a Resolution Agent","Journal of Organic Chemistry","2008","73","","6657","6665","10.1021/jo800769m","","","0.71073","MoKα","","0.2064","0.069","","","0.1417","0.1829","","","","","","0.993","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023628","28.8123","0.0017","5.8366","0.0004","36.791","0.002","90","","98.517","0.001","90","","6118.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl N2 O2 -","- C17 H15 Cl N2 O2 -","- C272 H240 Cl16 N32 O32 -","16","2","","Jesse P. Waldo; Saurabh Mehta; Richard C. Larock","Room Temperature ICl-Induced Dehydration/Iodination of 1-Acyl-5-hydroxy-4,5-dihydro-1H-pyrazoles. A Selective Route to Substituted 1-Acyl-4-iodo-1H-pyrazoles","Journal of Organic Chemistry","2008","73","","6666","6670","10.1021/jo800789p","","","0.71073","MoKα","","0.0627","0.0463","","","0.1036","0.1131","","","","","","1.053","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023629","5.5048","0.0015","18.308","0.005","16.09","0.004","90","","98.001","0.005","90","","1605.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl I N2 O -","- C17 H12 Cl I N2 O -","- C68 H48 Cl4 I4 N8 O4 -","4","1","","Jesse P. Waldo; Saurabh Mehta; Richard C. Larock","Room Temperature ICl-Induced Dehydration/Iodination of 1-Acyl-5-hydroxy-4,5-dihydro-1H-pyrazoles. A Selective Route to Substituted 1-Acyl-4-iodo-1H-pyrazoles","Journal of Organic Chemistry","2008","73","","6666","6670","10.1021/jo800789p","","","0.71073","MoKα","","0.0572","0.0369","","","0.0835","0.097","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023630","6.2956","0.0003","23.4591","0.0011","9.0064","0.0004","90","","108.656","0.002","90","","1260.26","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-5-Methoxy-5-methylspiro[5H-[1,3,4]oxadiazole-2,11'-endo-tricyclo- [6.2.1.0^2,7^]undec-9-ene]","","- C14 H20 N2 O2 -","- C14.0045 H20 N2.0045 O2.009 -","- C56.018 H80 N8.018 O8.036 -","4","1","","Jean-Luc Mieusset; Alexander Bespokoev; Mirjana Pacar; Michael Abraham; Vladimir B. Arion; Udo H. Brinker","Intermolecular Reactions of Foiled Carbenes with N-H Bonds: Evidence for an Ylidic Pathway","Journal of Organic Chemistry","2008","73","","6551","6558","10.1021/jo800802m","","","0.71073","MoKα","","0.0407","0.0371","","","0.0934","0.0968","","","","","","1.019","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023631","6.7869","0.0003","11.0482","0.0007","11.0367","0.0005","90","","94.034","0.003","90","","825.51","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","Igor Busygin; Ville Nieminen; Antti Taskinen; Jari Sinkkonen; Esa Toukoniitty; Reijo Sillanpää; Dmitry Yu. Murzin; Reko Leino","A Combined NMR, DFT, and X-ray Investigation of Some Cinchona Alkaloid O-Ethers","Journal of Organic Chemistry","2008","73","","6559","6569","10.1021/jo8008462","","x-ray","0.71073","MoKα","","0.0625","0.051","","","0.1008","0.1074","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023632","8.7956","0.0005","11.4484","0.0007","16.397","0.0009","90","","90","","90","","1651.1","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C80 H96 N8 O4 -","4","1","","Igor Busygin; Ville Nieminen; Antti Taskinen; Jari Sinkkonen; Esa Toukoniitty; Reijo Sillanpää; Dmitry Yu. Murzin; Reko Leino","A Combined NMR, DFT, and X-ray Investigation of Some Cinchona Alkaloid O-Ethers","Journal of Organic Chemistry","2008","73","","6559","6569","10.1021/jo8008462","","x-ray","0.71073","MoKα","","0.0646","0.0461","","","0.0917","0.0987","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023633","6.5562","0.0007","16.5242","0.0019","18.603","0.002","90","","90","","90","","2015.4","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Igor Busygin; Ville Nieminen; Antti Taskinen; Jari Sinkkonen; Esa Toukoniitty; Reijo Sillanpää; Dmitry Yu. Murzin; Reko Leino","A Combined NMR, DFT, and X-ray Investigation of Some Cinchona Alkaloid O-Ethers","Journal of Organic Chemistry","2008","73","","6559","6569","10.1021/jo8008462","","x-ray","1.54184","CuKα","","0.1184","0.0704","","","0.1394","0.1678","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023634","15.501","0.002","18.249","0.003","22.303","0.003","91.827","0.003","107.458","0.003","114.319","0.003","5396.1","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","cavitand","","","- C118 H120 N9 O16.5 -","- C118 H120 N9 O16.5 -","- C236 H240 N18 O33 -","2","1","","Byron W. Purse; Sara M. Butterfield; Pablo Ballester; Alexander Shivanyuk; Julius Rebek, Jr.","Interaction Energies and Dynamics of Acid-Base Pairs Isolated in Cavitands","Journal of Organic Chemistry","2008","73","","6480","6488","10.1021/jo8008534","","","0.71073","MoKα","","0.2204","0.1339","","","0.3283","0.3855","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023635","15.4134","0.0011","18.2684","0.0013","22.2011","0.0016","91.567","0.001","107.567","0.001","114.495","0.001","5339","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cavitand","","","- C117.75 H118.3 N10 O16 -","- C117.75 H118.298 N10 O16 -","- C235.5 H236.596 N20 O32 -","2","1","","Byron W. Purse; Sara M. Butterfield; Pablo Ballester; Alexander Shivanyuk; Julius Rebek, Jr.","Interaction Energies and Dynamics of Acid-Base Pairs Isolated in Cavitands","Journal of Organic Chemistry","2008","73","","6480","6488","10.1021/jo8008534","","","0.71073","MoKα","","0.1468","0.1123","","","0.2793","0.304","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023636","12.507","0.003","31.341","0.008","26.083","0.006","90","","94.522","0.005","90","","10192","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cavitand","","","- C94.5 H68 Cl13.5 N8 O17 -","- C94.5 H68 Cl13.5 N8 O17 -","- C378 H272 Cl54 N32 O68 -","4","1","","Byron W. Purse; Sara M. Butterfield; Pablo Ballester; Alexander Shivanyuk; Julius Rebek, Jr.","Interaction Energies and Dynamics of Acid-Base Pairs Isolated in Cavitands","Journal of Organic Chemistry","2008","73","","6480","6488","10.1021/jo8008534","","","0.71073","MoKα","","0.4608","0.3179","","","0.6075","0.6557","","","","","","1.619","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023637","11.1125","0.0012","5.819","0.0005","13.5233","0.0014","90","","96.002","0.006","90","","869.67","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C36 H62 N2 O4 -","2","1","","Gregory R. Dake; Erik E. Fenster; Brian O. Patrick","A Synthetic Approach to the Fusicoccane A-B Ring Fragment Based on a Pauson-Khand Cycloaddition/Norrish Type 1 Fragmentation","Journal of Organic Chemistry","2008","73","","6711","6715","10.1021/jo800933f","","","0.71073","MoKα","","0.0544","0.0452","","","0.1087","0.1148","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023638","11.6537","0.0018","14.736","0.002","11.9299","0.0018","90","","119.237","0.002","90","","1787.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Wei Li; Min Shi","An Efficient Method for the Synthesis of Vinylbromohydrin and Vinylbromoalkoxy Derivatives and Cyclocarbonylation of α-Allenic Alcohols Catalyzed by Palladium Chloride","Journal of Organic Chemistry","2008","73","","6698","6705","10.1021/jo8009352","","","0.71073","MoKα","","0.0739","0.0511","","","0.1346","0.1462","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023639","17.447","0.004","11.722","0.003","35.799","0.009","90","","96.5","0.005","90","","7274","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Aib-Gpn-Aib-Gpn-NHMe","","","- C32 H57 N5 O6 -","- C32 H57 N5 O6 -","- C256 H456 N40 O48 -","8","2","","Sunanda Chatterjee; Prema G. Vasudev; Kuppanna Ananda; Srinivasarao Raghothama; Narayanaswamy Shamala; Padmanabhan Balaram","Multiple Conformational States in Crystals and in Solution in αγ Hybrid Peptides. Fragility of the C~12~ Helix in Short Sequences","Journal of Organic Chemistry","2008","73","","6595","6606","10.1021/jo8009819","","","0.71073","MoKα","","0.3658","0.0892","","","0.1062","0.1722","","","","","","0.884","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023640","14.4622","0.001","13.1789","0.0009","20.3222","0.0015","90","","105.416","0.001","90","","3734","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Aib-Gpn-Aib-Gpn-NHMe","","","- C32.25 H59 N5 O7.25 -","- C32.25 H59 N5 O7.25 -","- C129 H236 N20 O29 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Kuppanna Ananda; Srinivasarao Raghothama; Narayanaswamy Shamala; Padmanabhan Balaram","Multiple Conformational States in Crystals and in Solution in αγ Hybrid Peptides. Fragility of the C~12~ Helix in Short Sequences","Journal of Organic Chemistry","2008","73","","6595","6606","10.1021/jo8009819","","","0.71073","MoKα","","0.0712","0.0498","","","0.1316","0.1479","","","","","","1.019","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023641","10.2756","0.0017","12.307","0.002","30.071","0.005","90","","105.896","0.003","90","","3657.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Aib-Gpn-Aib-Gpn-NHMe","","","- C32 H59 N5 O7 -","- C32 H59 N5 O7 -","- C128 H236 N20 O28 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Kuppanna Ananda; Srinivasarao Raghothama; Narayanaswamy Shamala; Padmanabhan Balaram","Multiple Conformational States in Crystals and in Solution in αγ Hybrid Peptides. Fragility of the C~12~ Helix in Short Sequences","Journal of Organic Chemistry","2008","73","","6595","6606","10.1021/jo8009819","","","0.71073","MoKα","","0.1698","0.0808","","","0.1501","0.1838","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023642","16.8922","0.0007","16.4361","0.0006","18.9899","0.0007","90","","92.128","0.001","90","","5268.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Aib-Gpn-Aib-OMe","","","- C23 H41 N3 O6 -","- C23 H41 N3 O6 -","- C184 H328 N24 O48 -","8","2","","Sunanda Chatterjee; Prema G. Vasudev; Kuppanna Ananda; Srinivasarao Raghothama; Narayanaswamy Shamala; Padmanabhan Balaram","Multiple Conformational States in Crystals and in Solution in αγ Hybrid Peptides. Fragility of the C~12~ Helix in Short Sequences","Journal of Organic Chemistry","2008","73","","6595","6606","10.1021/jo8009819","","","0.71073","MoKα","","0.1817","0.0796","","","0.1628","0.2063","","","","","","1.008","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023643","9.9783","0.0017","20.95","0.004","11.0433","0.0019","90","","110.464","0.003","90","","2162.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Gpn-Aib-NHMe","","","- C19 H35 N3 O4 -","- C19 H35 N3 O4 -","- C76 H140 N12 O16 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Kuppanna Ananda; Srinivasarao Raghothama; Narayanaswamy Shamala; Padmanabhan Balaram","Multiple Conformational States in Crystals and in Solution in αγ Hybrid Peptides. Fragility of the C~12~ Helix in Short Sequences","Journal of Organic Chemistry","2008","73","","6595","6606","10.1021/jo8009819","","","0.71073","MoKα","","0.1037","0.0895","","","0.2526","0.2624","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023644","8.329","0.0008","13.1065","0.0013","14.8142","0.0015","90","","90","","90","","1617.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Br Cl O2 -","- C18 H14 Br Cl O2 -","- C72 H56 Br4 Cl4 O8 -","4","1","","Xian Huang; Maozhong Miao","Substrate-Controlled Selective Proximal and Distal C-C Bond Cleavage via Lewis Acid Mediated O-Acylation of 2-(Arylmethylene)cyclopropylaldehyde: A Stereoselective Synthesis of Bifunctional Methylenecyclobutanes and 1,3-Conjugated Dienes","Journal of Organic Chemistry","2008","73","","6884","6887","10.1021/jo801021f","","","0.71073","MoKα","","0.0537","0.0353","","","0.0702","0.0734","","","","","","0.867","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023645","5.5158","0.0007","6.7186","0.0008","21.89","0.003","90","","92.815","0.003","90","","810.23","0.17","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-heptyl-5-methyl-3-methylenehexahydro-4H-furo[2,3-b]pyran-4,5-diol","","- C16 H28 O4 -","- C16 H28 O4 -","- C32 H56 O8 -","2","1","","Derrick L. J. Clive; Minaruzzaman; Haikang Yang","The Naturally Occurring Ketene Acetal Benesudon: Total Synthesis and Assignment of Relative and Absolute Stereochemistry","Journal of Organic Chemistry","2008","73","","6743","6752","10.1021/jo801028y","","","0.71073","MoKα","","0.094","0.0663","","","0.1584","0.1771","","","","","","1.05","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023646","9.7146","0.001","11.0069","0.0011","30.585","0.003","90","","96.608","0.006","90","","3248.6","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C144 H136 N8 O40 -","8","2","","Olga Lifchits; Irina Zakharian","Nucleophilic Addition of Phenol Derivatives to Methyl 1-Nitrocyclopropanecarboxylates","Journal of Organic Chemistry","2008","73","","6838","6840","10.1021/jo8010705","","","1.54178","CuKα","","0.109","0.0438","","","0.0647","0.0725","","","","","","1.004","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023647","6.7232","0.001","24.783","0.004","10.9025","0.0016","90","","95.596","0.002","90","","1808","0.5","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","Toshiaki Sasada; Norio Sakai; Takeo Konakahara","Me~3~SiCl-Promoted Three-Component Coupling Reaction of a Functionalized Enamine, an Acetal, and an Alkyne: An Unprecedented Approach to the Synthesis of Tetrasubstituted Pyridines via a [3 + 2 + 1] Intermolecular Cyclization","Journal of Organic Chemistry","2008","73","","6905","6908","10.1021/jo801090h","","","0.71073","MoKα","","0.1347","0.1298","","","0.3149","0.3179","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023648","8.535","0.003","5.718","0.002","18.512","0.006","90","","96.634","0.005","90","","897.3","0.5","163.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C40 H46 N2 O4 S2 -","2","1","","Hitoshi Harada; Reema K. Thalji; Robert G. Bergman; Jonathan A. Ellman","Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C-H Bond Activation","Journal of Organic Chemistry","2008","73","","6772","6779","10.1021/jo801098z","","","0.7107","MoKα","","0.062","0.038","","0.0442","","0.0404","","","","","","1.564","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023649","8.7592","0.0009","15.607","0.002","12.872","0.001","90","","97.255","0.002","90","","1745.6","0.3","261.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Br N3 O3 -","- C18 H18 Br N3 O3 -","- C72 H72 Br4 N12 O12 -","4","2","","Hitoshi Harada; Reema K. Thalji; Robert G. Bergman; Jonathan A. Ellman","Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C-H Bond Activation","Journal of Organic Chemistry","2008","73","","6772","6779","10.1021/jo801098z","","","0.7107","MoKα","","0.0428","0.0348","","0.039","","0.0376","","","","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023650","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.5","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Michael D. Lainchbury; Marcus I. Medley; Piers M. Taylor; Paul Hirst; Wolfgang Dohle; Kevin I. Booker-Milburn","A Protecting Group Free Synthesis of (\±)-Neostenine via the [5 + 2] Photocycloaddition of Maleimides","Journal of Organic Chemistry","2008","73","","6497","6505","10.1021/jo801108h","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023651","8.146","0.0011","10.3097","0.0014","14.933","0.002","72.039","0.002","85.665","0.002","84.08","0.002","1185.4","0.3","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","2","","Michł Achmatowicz; Oliver R. Thiel; Gilles Gorins; Corinne Goldstein; Caroline Affouard; Randy Jensen; Robert D. Larsen","Selective Ortho Methylation of Nitroheteroaryls by Vicarious Nucleophilic Substitution","Journal of Organic Chemistry","2008","73","","6793","6799","10.1021/jo801131z","","x-ray","0.71073","MoKα","","0.0561","0.0368","","","0.0883","0.0956","","","","","","0.915","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023652","11.888","0.001","14.02","0.002","16.414","0.003","64.843","0.002","86.835","0.004","82.569","0.002","2455.4","0.7","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H31 N3 -","- C30.005 H31.015 N3 -","- C120.02 H124.06 N12 -","4","2","","Maria S. Mudadu; Ajay N. Singh; Randolph P. Thummel","Preparation and Study of 1,8-Di(pyrid-2'-yl)carbazoles","Journal of Organic Chemistry","2008","73","","6513","6520","10.1021/jo801132w","","","0.71073","MoKα","","0.0803","0.0463","","","0.1161","0.1412","","","","","","1.001","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023653","11.31","0.002","7.3489","0.0013","11.365","0.002","90","","118.156","0.003","90","","832.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C32 H34 Br2 O8 -","2","1","","Jun-Cheng Zheng; Chun-Yin Zhu; Xiu-Li Sun; Yong Tang; Li-Xin Dai","Highly Diastereoselective and Enantioselective Formal [4 + 1] Ylide Annulation for the Synthesis of Optically Active Dihydrofurans","Journal of Organic Chemistry","2008","73","","6909","6912","10.1021/jo801135j","","","0.71073","MoKα","","0.1101","0.0946","","","0.2239","0.2343","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023654","14.62","0.03","15.32","0.03","16.28","0.03","84.07","0.04","88.28","0.04","64.43","0.03","3272","12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H65 F12 N5 O10 P2 -","- C54 H65 F12 N5 O10 P2 -","- C108 H130 F24 N10 O20 P4 -","2","1","","Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen","Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process","Journal of Organic Chemistry","2008","73","","6800","6806","10.1021/jo801170t","","","0.71073","MoKα","","0.2039","0.1047","","","0.3039","0.3844","","","","","","1.125","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023655","15.672","0.01","21.972","0.013","26.858","0.017","90","","102.773","0.007","90","","9019","10","113","2","113","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C83.75 H98.5 Cl1.5 F12 N2 O18.5 P2 -","- C83.76 H97.52 Cl1.52 F12 N2 O18.5 P2 -","- C335.04 H390.08 Cl6.08 F48 N8 O74 P8 -","4","1","","Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen","Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process","Journal of Organic Chemistry","2008","73","","6800","6806","10.1021/jo801170t","","","0.7107","MoKα","","0.1503","0.1305","","","0.3398","0.3638","","","","","","1.223","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023656","15.371","0.003","21.883","0.004","29.093","0.006","90","","98.32","0.03","90","","9683","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H109 Cl2 F12 N7 O18 P2 -","- C93 H109 Cl2 F12 N7 O18 P2 -","- C372 H436 Cl8 F48 N28 O72 P8 -","4","1","","Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen","Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process","Journal of Organic Chemistry","2008","73","","6800","6806","10.1021/jo801170t","","","0.71073","MoKα","","0.1519","0.1162","","","0.3078","0.3369","","","","","","1.101","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023657","20.274","0.003","20.198","0.003","29.295","0.005","90","","107.146","0.002","90","","11464","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H115 F12 N5 O16 P2 -","- C114 H115 F12 N5 O16 P2 -","- C456 H460 F48 N20 O64 P8 -","4","1","","Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen","Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process","Journal of Organic Chemistry","2008","73","","6800","6806","10.1021/jo801170t","","","0.7107","MoKα","","0.1299","0.1033","","","0.2831","0.3094","","","","","","1.069","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023658","16.892","0.002","18.79","0.003","20.982","0.003","84.719","0.006","71.455","0.005","79.903","0.005","6211.8","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H69.5 Cl F6 N O8.75 P -","- C61 H69.5 Cl F6 N O8.75 P -","- C244 H278 Cl4 F24 N4 O35 P4 -","4","2","","Jian-Min Zhao; Qian-Shou Zong; Tao Han; Jun-Feng Xiang; Chuan-Feng Chen","Guest-Dependent Complexation of Triptycene-Based Macrotricyclic Host with Paraquat Derivatives and Secondary Ammonium Salts: A Chemically Controlled Complexation Process","Journal of Organic Chemistry","2008","73","","6800","6806","10.1021/jo801170t","","","0.7107","MoKα","","0.1366","0.102","","","0.2837","0.3158","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023659","9.8","0.004","35.181","0.014","10.149","0.007","90","","90.46","0.05","90","","3499","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C136 H160 N16 O40 -","8","2","","Ihsan Erden; Galip Özer; Christophe Hoarau; Weiguo Cao; Jiangao Song; Christian Gärtner","Photooxygenation of 5-Dialkylamino-4-pyrrolin-3-ones. Synthesis of Highly Functionalized Ureas, 2-Oxazolidinones, and 2-Oxazolinones","Journal of Organic Chemistry","2008","73","","6943","6945","10.1021/jo801192z","","","0.71073","MoKα","","0.1254","0.0799","","","0.202","0.2261","","","","","","1.039","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023660","15.875","0.006","7.837","0.003","20.502","0.008","90","","107.938","0.005","90","","2426.8","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Wen Huang; Pengzhi Zheng; Zhengxing Zhang; Ruiting Liu; Zhenxia Chen; Xigeng Zhou","Controllable One-Step Synthesis of Spirocycles, Polycycles, and Di- and Tetrahydronaphthalenes from Aryl-Substituted Propargylic Alcohols","Journal of Organic Chemistry","2008","73","","6845","6848","10.1021/jo801210n","","","0.71073","MoKα","","0.0872","0.0572","","","0.1555","0.1724","","","","","","0.944","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023661","12.989","0.006","9.804","0.004","20.082","0.009","90","","98.805","0.006","90","","2527.2","1.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 O4 -","- C31 H30 O4 -","- C124 H120 O16 -","4","1","","Wen Huang; Pengzhi Zheng; Zhengxing Zhang; Ruiting Liu; Zhenxia Chen; Xigeng Zhou","Controllable One-Step Synthesis of Spirocycles, Polycycles, and Di- and Tetrahydronaphthalenes from Aryl-Substituted Propargylic Alcohols","Journal of Organic Chemistry","2008","73","","6845","6848","10.1021/jo801210n","","","0.71073","MoKα","","0.1074","0.0709","","","0.1938","0.2187","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023662","14.174","0.004","32.664","0.01","16.865","0.005","90","","107.136","0.005","90","","7461","4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C360 H336 O48 -","12","3","","Wen Huang; Pengzhi Zheng; Zhengxing Zhang; Ruiting Liu; Zhenxia Chen; Xigeng Zhou","Controllable One-Step Synthesis of Spirocycles, Polycycles, and Di- and Tetrahydronaphthalenes from Aryl-Substituted Propargylic Alcohols","Journal of Organic Chemistry","2008","73","","6845","6848","10.1021/jo801210n","","","0.71073","MoKα","","0.1892","0.0696","","","0.1626","0.2198","","","","","","0.985","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023663","10.96","0.004","10.59","0.004","24.175","0.009","90","","92.622","0.005","90","","2803","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl2 O5 -","- C31 H28 Cl2 O5 -","- C124 H112 Cl8 O20 -","4","1","","Wen Huang; Pengzhi Zheng; Zhengxing Zhang; Ruiting Liu; Zhenxia Chen; Xigeng Zhou","Controllable One-Step Synthesis of Spirocycles, Polycycles, and Di- and Tetrahydronaphthalenes from Aryl-Substituted Propargylic Alcohols","Journal of Organic Chemistry","2008","73","","6845","6848","10.1021/jo801210n","","","0.71073","MoKα","","0.1096","0.0614","","","0.1445","0.1642","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023664","13.272","0.004","15.108","0.004","15.194","0.004","90","","90","","90","","3046.6","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 I N3 O2 S2 -","- C11 H12 I N3 O2 S2 -","- C88 H96 I8 N24 O16 S16 -","8","2","","Prosper Nshimyumukiz; Olivier Fasbender; Bernard Tinant; Jacqueline Marchand-Brynaert; Francis Darro; Raphaël Robiette","Divergent and Regioselective Synthesis of 1,2,4- and 1,2,5-Trisubstituted Imidazoles","Journal of Organic Chemistry","2008","73","","6816","6823","10.1021/jo801256b","","","0.71069","MoKα","","0.0269","0.0262","","","0.0733","0.0738","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023665","13.059","0.004","11.001","0.003","15.34","0.004","90","","97.15","0.02","90","","2186.6","1.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H9 I N2 S -","- C10 H9 I N2 S -","- C80 H72 I8 N16 S8 -","8","2","","Prosper Nshimyumukiz; Olivier Fasbender; Bernard Tinant; Jacqueline Marchand-Brynaert; Francis Darro; Raphaël Robiette","Divergent and Regioselective Synthesis of 1,2,4- and 1,2,5-Trisubstituted Imidazoles","Journal of Organic Chemistry","2008","73","","6816","6823","10.1021/jo801256b","","","0.71069","MoKα","","0.0352","0.0351","","","0.0953","0.0953","","","","","","1.106","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023666","13.3622","0.0019","14.349","0.002","19.593","0.003","90","","90","","90","","3756.5","0.9","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 Cl2 Co2 N O5 P S Si -","- C33 H38 Cl2 Co2 N O5 P S Si -","- C132 H152 Cl8 Co8 N4 O20 P4 S4 Si4 -","4","1","","Marc Revés; Thierry Achard; Jordi Solà; Antoni Riera; Xavier Verdaguer","N-Phosphino-p-tolylsulfinamide Ligands: Synthesis, Stability, and Application to the Intermolecular Pauson-Khand Reaction","Journal of Organic Chemistry","2008","73","","7080","7087","10.1021/jo800710n","","","0.71073","MoKα","","0.0417","0.036","","","0.0945","0.0971","","","","","","1.031","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023667","12.397","0.003","8.5763","0.0017","15.405","0.003","90","","105.96","0.03","90","","1574.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gui-Hong Liao; Lin Luo; Hong-Xia Xu; Xiao-Ling Wu; Lei Lei; Chen-Ho Tung; Li-Zhu Wu","Formation of Cubane-like Photodimers from 2-Naphthalenecarbonitrile","Journal of Organic Chemistry","2008","73","","7345","7348","10.1021/jo800927t","","","0.71073","MoKα","","0.0641","0.0405","","","0.0977","0.1043","","","","","","0.998","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023668","9.6321","0.0016","14.005","0.002","12.814","0.003","90","","66.374","0.002","90","","1583.8","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gui-Hong Liao; Lin Luo; Hong-Xia Xu; Xiao-Ling Wu; Lei Lei; Chen-Ho Tung; Li-Zhu Wu","Formation of Cubane-like Photodimers from 2-Naphthalenecarbonitrile","Journal of Organic Chemistry","2008","73","","7345","7348","10.1021/jo800927t","","","0.71073","MoKα","","0.0664","0.0413","","","0.1008","0.1146","","","","","","1.019","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023669","5.2144","0.0006","15.5943","0.0012","11.3014","0.0012","90","","95.382","0.014","90","","914.92","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O8 S -","- C15 H21 N O8 S -","- C30 H42 N2 O16 S2 -","2","1","","Johan D. M. Olsson; Lars Eriksson; Martina Lahmann; Stefan Oscarson","Investigations of Glycosylation Reactions with 2-N-Acetyl-2N,3O-oxazolidinone-Protected Glucosamine Donors","Journal of Organic Chemistry","2008","73","","7181","7188","10.1021/jo800971s","","","0.71073","MoKα","","0.0707","0.0562","","","0.1562","0.1697","","","","","","1.126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023670","17.7092","0.0007","10.6971","0.0003","19.5954","0.0007","90","","104.635","0.001","90","","3591.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H33 N5 -","- C50 H33 N5 -","- C200 H132 N20 -","4","1","","Ana M. V. M. Pereira; Cristina M. A. Alonso; Maria G. P. M. S. Neves; Augusto C. Tomé; Artur M. S. Silva; Filipe A. Paz; José A. S. Cavaleiro","A New Synthetic Approach to N-Arylquinolino[2,3,4-at]porphyrins from β-Arylaminoporphyrins","Journal of Organic Chemistry","2008","73","","7353","7356","10.1021/jo800975c","","","0.71073","MoKα","","0.0867","0.0455","","","0.0966","0.1151","","","","","","1.012","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023671","13.8747","0.0003","17.3039","0.0003","20.3235","0.0004","68.474","0.001","76.656","0.001","68.597","0.001","4199.51","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H112 Cl8 N O8 -","- C82 H95 N O8 -","- C164 H190 N2 O16 -","2","1","","Hitos Galán; Alex Fragoso; Javier de Mendoza; Pilar Prados","Synthesis and Reactivity of Functionalized Bridged m-Xylylenedioxycalix[6]arenes","Journal of Organic Chemistry","2008","73","","7124","7131","10.1021/jo8009769","","","1.54178","CuKα","","0.0906","0.0726","","","0.207","0.2207","","","","","","1.062","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023672","10.763","0.0004","4.9097","0.0002","16.0598","0.0007","90","","92.166","0.003","90","","848.04","0.06","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","1","","Dusan Hesek; Mijoon Lee; Takao Yamaguchi; Bruce C. Noll; Shahriar Mobashery","Facile Preparation of a Highly Functionalized Tetrahydropyran by Catalytic Hydrogenation of an Oxazoline","Journal of Organic Chemistry","2008","73","","7349","7352","10.1021/jo801037z","","x-ray","1.54178","CuKα","","0.0415","0.038","","","0.1005","0.1021","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023673","7.8294","0.0007","9.0047","0.0009","22.0941","0.0019","90","","90","","90","","1557.7","0.2","100","2","100","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Dusan Hesek; Mijoon Lee; Takao Yamaguchi; Bruce C. Noll; Shahriar Mobashery","Facile Preparation of a Highly Functionalized Tetrahydropyran by Catalytic Hydrogenation of an Oxazoline","Journal of Organic Chemistry","2008","73","","7349","7352","10.1021/jo801037z","","x-ray","1.54178","CuKα","","0.0265","0.0263","","","0.0682","0.0685","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023674","10.2207","0.0013","15.0552","0.0019","16.326","0.002","72.802","0.002","72.958","0.002","73.405","0.001","2239.4","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H29 N O5 S -","- C23 H29 N O5 S -","- C92 H116 N4 O20 S4 -","4","4","","Tyler A. Johnson; Taro Amagata; Allen G. Oliver; Karen Tenney; Frederick A. Valeriote; Phillip Crews","The Unexpected Isolation of CTP-431, a Novel Thiopyrone from the Sponge Cacospongia mycofijiensis","Journal of Organic Chemistry","2008","73","","7255","7259","10.1021/jo801096m","","","0.71073","MoKα","","0.078","0.058","","","0.1288","0.1385","","","","","","1.07","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023675","36.414","0.002","9.7931","0.0005","35.3214","0.0019","90","","90","","90","","12595.7","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C127 H152 Cl7.5 O6 -","- C128 H152 Cl7.5 O6 -","- C512 H608 Cl30 O24 -","4","1","","Katerina Kogan; Ishay Columbus; Silvio E. Biali","Functionalization of the Methylene Bridges of the Calix[6]arene Scaffold","Journal of Organic Chemistry","2008","73","","7327","7335","10.1021/jo801187z","","","0.71073","MoKα","","0.2048","0.1968","","","0.4536","0.4619","","","","","","1.808","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023676","26.6417","0.0017","15.9971","0.001","17.9378","0.0011","90","","92.393","0.001","90","","7638.2","0.8","173","1","173","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H108 O12 -","- C78 H108 O12.2 -","- C312 H432 O48.8 -","4","1","","Katerina Kogan; Ishay Columbus; Silvio E. Biali","Functionalization of the Methylene Bridges of the Calix[6]arene Scaffold","Journal of Organic Chemistry","2008","73","","7327","7335","10.1021/jo801187z","","","0.71073","MoKα","","0.2041","0.1339","","","0.2772","0.3127","","","","","","1.209","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023677","11.166","0.003","11.863","0.003","25.159","0.006","90","","90","","90","","3332.6","1.5","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H46 N4 O2 -","- C40 H46 N4 O2 -","- C160 H184 N16 O8 -","4","1","","Przemysław J. Boratyński; Ilona Turowska-Tyrk; Jacek Skarźewski","Stereoselective C9 Carbon-Carbon Couplings of Quinine: Synthesis and Conformational Analysis of New C~2~-Symmetric Dimers","Journal of Organic Chemistry","2008","73","","7357","7360","10.1021/jo801205n","","","0.71073","MoKα","","0.0956","0.0815","","","0.1908","0.2002","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023678","6.0842","0.001","15.1606","0.0014","15.7441","0.0018","90","","90","","90","","1452.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Sebastian Stecko; Adam Mames; Bartłomiej Furman; Marek Chmielewski","Diastereoselective Synthesis of Carbapenams via Kinugasa Reaction","Journal of Organic Chemistry","2008","73","","7402","7404","10.1021/jo801212q","","","1.54178","CuKα","","0.143","0.0556","","","0.1276","0.1479","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023679","11.66","0.002","16.607","0.003","11.854","0.002","90","","90.921","0.002","90","","2295.1","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","2","","Caiyun Sun; Bin Xu","A Tandem Elimination-Cyclization-Suzuki Approach: Efficient One-Pot Synthesis of Functionalized (Z)-3-(Arylmethylene)isoindolin-1-ones","Journal of Organic Chemistry","2008","73","","7361","7364","10.1021/jo801219j","","","0.71073","MoKα","","0.0938","0.0469","","","0.1035","0.1261","","","","","","0.973","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023680","8.6134","0.0006","11.1359","0.0008","15.6652","0.0011","90","","101.279","0.001","90","","1473.55","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C64 H56 Cl4 N4 O16 -","4","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Diels-Alder Approach to Biaryls: Elucidation of Competing Tandem [2+2] Cycloaddition/[1,3] Sigmatropic Shift Pathway","Journal of Organic Chemistry","2008","73","","7305","7309","10.1021/jo801245a","","","0.71073","MoKα","","0.0465","0.0419","","","0.115","0.1197","","","","","","1.07","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023681","7.7746","0.0006","10.579","0.0008","10.8866","0.0008","112.186","0.001","108.335","0.001","98.722","0.001","748.84","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C32 H28 Cl2 N2 O8 -","2","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Diels-Alder Approach to Biaryls: Elucidation of Competing Tandem [2+2] Cycloaddition/[1,3] Sigmatropic Shift Pathway","Journal of Organic Chemistry","2008","73","","7305","7309","10.1021/jo801245a","","","0.71073","MoKα","","0.0381","0.0342","","","0.0918","0.0958","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023682","9.3222","0.0012","14.3723","0.0015","16.7277","0.0018","106.279","0.006","106.131","0.007","90.882","0.005","2056","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 O4 S -","- C28 H18 O4 S -","- C112 H72 O16 S4 -","4","2","","Wei Jiang; Hualei Qian; Yan Li; Zhaohui Wang","Heteroatom-Annulated Perylenes: Practical Synthesis, Photophysical Properties, and Solid-State Packing Arrangement","Journal of Organic Chemistry","2008","73","","7369","7372","10.1021/jo8012622","","","0.7107","MoKα","","0.0993","0.0765","","","0.1875","0.2006","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023683","18.073","0.006","4.4289","0.0013","17.102","0.005","90","","113.396","0.003","90","","1256.3","0.7","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Se -","- C20 H10 Se -","- C80 H40 Se4 -","4","1","","Wei Jiang; Hualei Qian; Yan Li; Zhaohui Wang","Heteroatom-Annulated Perylenes: Practical Synthesis, Photophysical Properties, and Solid-State Packing Arrangement","Journal of Organic Chemistry","2008","73","","7369","7372","10.1021/jo8012622","","","0.7107","MoKα","","0.036","0.0297","","","0.071","0.0738","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023684","10.015","0.002","10.598","0.002","11.77","0.002","90","","100.36","0.03","90","","1228.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 N -","- C20 H11 N -","- C80 H44 N4 -","4","1","","Wei Jiang; Hualei Qian; Yan Li; Zhaohui Wang","Heteroatom-Annulated Perylenes: Practical Synthesis, Photophysical Properties, and Solid-State Packing Arrangement","Journal of Organic Chemistry","2008","73","","7369","7372","10.1021/jo8012622","","","0.71073","MoKα","","0.113","0.0977","","","0.2246","0.2432","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023685","6.0993","0.0003","8.1188","0.0004","10.5373","0.0005","73.875","0.001","77.57","0.001","71.482","0.001","470.67","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Cl2 O3 S -","- C7 H6 Cl2 O3 S -","- C14 H12 Cl4 O6 S2 -","2","1","","Jarrod W. Johnson; Darryl P. Evanoff; Marc E. Savard; Gerald Lange; Timothy R. Ramadhar; Abdeljalil Assoud; Nicholas J. Taylor; Gary I. Dmitrienko","Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability","Journal of Organic Chemistry","2008","73","","6970","6982","10.1021/jo801274m","","","0.71073","MoKα","","0.0325","0.0299","","","0.0784","0.08","","","","","","1.062","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023686","24.0534","0.0013","6.8583","0.0004","19.0432","0.001","90","","102.831","0.001","90","","3063","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O3 S -","- C7 H8 O3 S -","- C112 H128 O48 S16 -","16","2","","Jarrod W. Johnson; Darryl P. Evanoff; Marc E. Savard; Gerald Lange; Timothy R. Ramadhar; Abdeljalil Assoud; Nicholas J. Taylor; Gary I. Dmitrienko","Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability","Journal of Organic Chemistry","2008","73","","6970","6982","10.1021/jo801274m","","","0.71073","MoKα","","0.0435","0.0405","","","0.1111","0.1135","","","","","","1.074","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023687","6.4915","0.0015","9.542","0.002","11.396","0.003","102.655","0.005","103.497","0.005","103.414","0.005","639.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Cl3 O3 S -","- C9 H9 Cl3 O3 S -","- C18 H18 Cl6 O6 S2 -","2","1","","Jarrod W. Johnson; Darryl P. Evanoff; Marc E. Savard; Gerald Lange; Timothy R. Ramadhar; Abdeljalil Assoud; Nicholas J. Taylor; Gary I. Dmitrienko","Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability","Journal of Organic Chemistry","2008","73","","6970","6982","10.1021/jo801274m","","","0.71073","MoKα","","0.0601","0.0494","","","0.099","0.102","","","","","","1.378","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023688","6.3646","0.0006","10.6579","0.001","11.9831","0.0011","92.94","0.002","104.377","0.002","101.967","0.002","765.74","0.12","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl2 O4 S -","- C13 H18 Cl2 O4 S -","- C26 H36 Cl4 O8 S2 -","2","1","","Jarrod W. Johnson; Darryl P. Evanoff; Marc E. Savard; Gerald Lange; Timothy R. Ramadhar; Abdeljalil Assoud; Nicholas J. Taylor; Gary I. Dmitrienko","Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability","Journal of Organic Chemistry","2008","73","","6970","6982","10.1021/jo801274m","","","0.71073","MoKα","","0.0238","0.0227","","","0.0653","0.0739","","","","","","1.181","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023689","6.6343","0.0006","20.9581","0.0017","10.626","0.0009","90","","102.039","0.002","90","","1445","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl2 O5 S -","- C11 H12 Cl2 O5 S -","- C44 H48 Cl8 O20 S4 -","4","1","","Jarrod W. Johnson; Darryl P. Evanoff; Marc E. Savard; Gerald Lange; Timothy R. Ramadhar; Abdeljalil Assoud; Nicholas J. Taylor; Gary I. Dmitrienko","Cyclobutanone Mimics of Penicillins: Effects of Substitution on Conformation and Hemiketal Stability","Journal of Organic Chemistry","2008","73","","6970","6982","10.1021/jo801274m","","","0.71073","MoKα","","0.0606","0.0467","","","0.1153","0.1224","","","","","","1.039","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023690","12.0074","0.0006","12.5151","0.0006","16.9507","0.0008","92.728","0.001","101.549","0.001","90.439","0.001","2492.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H61 Br O4 P2 Pd -","- C54 H45 Br O4 P2 Pd -","- C108 H90 Br2 O8 P4 Pd2 -","2","1","","Joseph R. Martinelli; Donald A. Watson; Dominique M. M. Freckmann; Timothy E. Barder; Stephen L. Buchwald","Palladium-Catalyzed Carbonylation Reactions of Aryl Bromides at Atmospheric Pressure: A General System Based on Xantphos","Journal of Organic Chemistry","2008","73","","7102","7107","10.1021/jo801279r","","","0.71073","MoKα","","0.0479","0.042","","","0.1404","0.1446","","","","","","1.093","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023691","9.0823","0.0006","9.2605","0.0007","29.233","0.002","90","","90","","90","","2458.7","0.3","228","2","228","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O7 -","- C23 H34 N2 O7 -","- C92 H136 N8 O28 -","4","1","","Wathsala Liyanage; Laksiri Weerasinghe; Roland K. Strong; Juan R. Del Valle","Synthesis of Carbapyochelins via Diastereoselective Azidation of 5-(Ethoxycarbonyl)methylproline Derivatives","Journal of Organic Chemistry","2008","73","","7420","7423","10.1021/jo801294p","","","0.71073","MoKα","","0.0496","0.0397","","","0.1024","0.1106","","","","","","1.038","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023692","15.319","0.012","6.623","0.005","26.55","0.02","90","","90","","90","","2694","4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H22 Cl2 Fe2 O10 -","- C22.93 H21.86 Cl1.86 Fe2 O10 -","- C91.72 H87.44 Cl7.44 Fe8 O40 -","4","1","","Rajesh K. Pandey; Lizhu Wang; Nathaniel J. Wallock; Sergey Lindeman; William A. Donaldson","Reactivity of (2-Alkenyl-3-pentene-1,5-diyl)iron Complexes: Preparation of Functionalized Vinylcyclopropanes and Cycloheptadienes","Journal of Organic Chemistry","2008","73","","7236","7245","10.1021/jo801446q","","","0.71073","MoKα","","0.0973","0.0708","","","0.1743","0.1908","","","","","","1.03","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4023693","7.9471","0.0007","10.6535","0.001","12.4175","0.0011","94.937","0.004","98.119","0.004","102.276","0.004","1009.64","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Fe O9 -","- C20 H18 Fe O9 -","- C40 H36 Fe2 O18 -","2","1","","Rajesh K. Pandey; Lizhu Wang; Nathaniel J. Wallock; Sergey Lindeman; William A. Donaldson","Reactivity of (2-Alkenyl-3-pentene-1,5-diyl)iron Complexes: Preparation of Functionalized Vinylcyclopropanes and Cycloheptadienes","Journal of Organic Chemistry","2008","73","","7236","7245","10.1021/jo801446q","","","1.54178","CuKα","","0.0596","0.046","","","0.1106","0.1165","","","","","","1.024","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023694","5.2941","0.0002","15.2652","0.0006","14.5546","0.0005","90","","90.399","0.002","90","","1176.21","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Rajesh K. Pandey; Lizhu Wang; Nathaniel J. Wallock; Sergey Lindeman; William A. Donaldson","Reactivity of (2-Alkenyl-3-pentene-1,5-diyl)iron Complexes: Preparation of Functionalized Vinylcyclopropanes and Cycloheptadienes","Journal of Organic Chemistry","2008","73","","7236","7245","10.1021/jo801446q","","","1.54178","CuKα","","0.0396","0.0358","","","0.0958","0.099","","","","","","0.977","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023695","8.5389","0.0009","11.0794","0.0012","22.4","0.003","78.454","0.004","81.613","0.005","86.883","0.004","2053.4","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 N7 O4.5 -","- C44 H58 N7 O4.5 -","- C88 H116 N14 O9 -","2","1","","Monika Mazik; Andrè Hartmann","Phenanthroline Unit as a Building Block for Carbohydrate Receptors","Journal of Organic Chemistry","2008","73","","7444","7450","10.1021/jo8005842","","","0.71073","MoKα","","0.096","0.0504","","","0.1175","0.1356","","","","","","1.004","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023696","9.3954","0.0019","6.4979","0.0013","15.002","0.003","90","","97.56","0.03","90","","907.9","0.3","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C36 H56 O8 -","2","1","","Gerhard Brunner; Laura Eberhard; Jürg Oetiker; Fridtjof Schröder","Tandem Cyclopropanation with Dibromomethane under Grignard Conditions","Journal of Organic Chemistry","2008","73","","7543","7554","10.1021/jo8007397","","","0.71073","MoKα","","0.1526","0.123","","","0.3576","0.3745","","","","","","1.325","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023697","7.2356","0.0014","11.699","0.002","24.605","0.005","90","","90","","90","","2082.8","0.7","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Gerhard Brunner; Laura Eberhard; Jürg Oetiker; Fridtjof Schröder","Tandem Cyclopropanation with Dibromomethane under Grignard Conditions","Journal of Organic Chemistry","2008","73","","7543","7554","10.1021/jo8007397","","","0.71073","MoKα","","0.059","0.0342","","","0.072","0.0764","","","","","","0.809","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023698","10.055","0.007","12.797","0.009","10.247","0.006","90","","92.85","0.06","90","","1316.9","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O6 S -","- C12 H14 O6 S -","- C48 H56 O24 S4 -","4","1","","Stéphane Perreault; Maude Poirier; Pascal Léviellé; Olivier René; Pascal Joly; Yves Dory; Claude Spino","Mechanism and Regioselectivity of the Cycloaddition of Thiones Derived from Meldrum's Acid, Malonates, or Other Dicarbonyls","Journal of Organic Chemistry","2008","73","","7457","7466","10.1021/jo800945y","","","1.54176","CuKα","","0.1296","0.0695","","","0.178","0.1985","","","","","","1.044","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023699","7.5897","0.0008","9.957","0.006","15.34","0.003","90","","99.483","0.011","90","","1143.5","0.7","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O4 S -","- C11 H14 O4 S -","- C44 H56 O16 S4 -","4","1","","Stéphane Perreault; Maude Poirier; Pascal Léviellé; Olivier René; Pascal Joly; Yves Dory; Claude Spino","Mechanism and Regioselectivity of the Cycloaddition of Thiones Derived from Meldrum's Acid, Malonates, or Other Dicarbonyls","Journal of Organic Chemistry","2008","73","","7457","7466","10.1021/jo800945y","","","1.54176","CuKα","","0.0466","0.0429","","","0.1169","0.1198","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023700","10.2085","0.0004","19.7308","0.0006","11.4516","0.0003","90","","93.841","0.002","90","","2301.42","0.13","296","2","100","","","","","","","","Synthesized as an intermediate for Compound 1","6","P 1 21/n 1","-P 2yn","14","","(4aR,5aS,8S,9S,9aS,10aR)-9-(2-bromo-5-methoxycyclohexylthio)-8- (methoxymethoxy)-4a-methyldecahydro-2H-naphtho[2,3-e][1,3]oxazine-2,4(3H)-dione","","- C22 H27 Br N O6 S -","- C22 H27 Br N O6 S -","- C88 H108 Br4 N4 O24 S4 -","4","1","","Ze Li; E. Blake Watkins; Hua Liu; Amar G. Chittiboyina; Paulo B. Carvalho; Mitchell A. Avery","1,3-Diaxially Substituted trans-Decalins: Potential Nonsteroidal Human Progesterone Receptor Inhibitors","Journal of Organic Chemistry","2008","73","","7764","7767","10.1021/jo800947m","","x-ray","1.54178","CuKα","","0.0413","0.033","","","0.0853","0.1022","","","","","","1.11","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023701","13.242","0.001","10.181","0.0009","14.547","0.001","90","","108.589","0.005","90","","1858.8","0.3","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Satish N. Chavre; Hyunah Choo; Jae Kyun Lee; Ae Nim Pae; Youseung Kim; Yong Seo Cho","5- and 6-Exocyclic Products, cis-2,3,5-Trisubstituted Tetrahydrofurans, and cis-2,3,6-Trisubstituted Tetrahydropyrans via Prins-Type Cyclization","Journal of Organic Chemistry","2008","73","","7467","7471","10.1021/jo800967p","","","1.5419","CuKα","","","0.048","","","","0.134","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023702","13.127","0.001","7.474","0.0006","20.597","0.002","90","","94.557","0.005","90","","2014.4","0.3","296.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O6 S -","- C19 H16 F3 N O6 S -","- C76 H64 F12 N4 O24 S4 -","4","1","","Satish N. Chavre; Hyunah Choo; Jae Kyun Lee; Ae Nim Pae; Youseung Kim; Yong Seo Cho","5- and 6-Exocyclic Products, cis-2,3,5-Trisubstituted Tetrahydrofurans, and cis-2,3,6-Trisubstituted Tetrahydropyrans via Prins-Type Cyclization","Journal of Organic Chemistry","2008","73","","7467","7471","10.1021/jo800967p","","","1.5419","CuKα","","","0.043","","","","0.112","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023703","13.3045","0.0019","14.323","0.002","14.83","0.002","71.869","0.002","83.843","0.003","88.757","0.003","2669.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 Br Cu P3 -","- C54 H45 Br Cu P3 -","- C108 H90 Br2 Cu2 P6 -","2","1","","Jiajia Niu; Hua Zhou; Zhigang Li; Jingwei Xu; Shaojing Hu","An Efficient Ullmann-Type C-O Bond Formation Catalyzed by an Air-Stable Copper(I)-Bipyridyl Complex","Journal of Organic Chemistry","2008","73","","7814","7817","10.1021/jo801002c","","","0.71073","MoKα","","0.1198","0.0615","","","0.1243","0.1429","","","","","","0.85","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023704","33.585","0.006","9.3792","0.0016","18.854","0.003","90","","123.208","0.002","90","","4969","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 Br Cu N2 P -","- C28 H23 Br Cu N2 P -","- C224 H184 Br8 Cu8 N16 P8 -","8","1","","Jiajia Niu; Hua Zhou; Zhigang Li; Jingwei Xu; Shaojing Hu","An Efficient Ullmann-Type C-O Bond Formation Catalyzed by an Air-Stable Copper(I)-Bipyridyl Complex","Journal of Organic Chemistry","2008","73","","7814","7817","10.1021/jo801002c","","","0.71073","MoKα","","0.0346","0.0284","","","0.0678","0.0708","","","","","","1.026","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023705","10.937","0.003","20.414","0.006","9.167","0.003","90","","90","","90","","2046.7","1","571","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C10 H8 B0.5 Cu0.5 F2 N2 -","- C10 H8 B0.5 Cu0.5 F2 N2 -","- C80 H64 B4 Cu4 F16 N16 -","8","1","","Jiajia Niu; Hua Zhou; Zhigang Li; Jingwei Xu; Shaojing Hu","An Efficient Ullmann-Type C-O Bond Formation Catalyzed by an Air-Stable Copper(I)-Bipyridyl Complex","Journal of Organic Chemistry","2008","73","","7814","7817","10.1021/jo801002c","","","0.71073","MoKα","","0.0785","0.065","","","0.1877","0.2036","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023706","6.0221","0.0002","11.0913","0.0004","35.6702","0.0007","90","","90","","90","","2382.52","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pivaloate ester","(3aR,4aS,7R,8aS)-2,2-Dimethyl-5-[(4-methylphenyl) sulfonyl]-4,4a,5,6,7,8a-hexahydro-3aH-[1,3]dioxolo -[4,5-f]indol-7-yl pivalate.","","- C23 H31 N O6 S -","- C23 H31 N O6 S -","- C92 H124 N4 O24 S4 -","4","1","","An-Wei Hong; Tsung-Hui Cheng; Vellingiri Raghukumar; Chin-Kang Sha","An Expedient Route to Montanine-Type Amaryllidaceae Alkaloids: Total Syntheses of (-)-Brunsvigine and (-)-Manthine","Journal of Organic Chemistry","2008","73","","7580","7585","10.1021/jo801089y","","","0.71073","MoKα","","0.1935","0.0639","","","0.1224","0.1788","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023707","11.8014","0.0003","5.5198","0.0001","14.1673","0.0004","90","","97.758","0.001","90","","914.43","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-brunsvigine diacetate","(1S,13S,15R,16S)-15-(Methylcarbonyloxy)5,7-dioxa-12-azapentacyclo [10.6.1.02,10.04,8.013,18]nonadeca-2(10),3,8,17-tetraen-16-ylacetate","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","1","","An-Wei Hong; Tsung-Hui Cheng; Vellingiri Raghukumar; Chin-Kang Sha","An Expedient Route to Montanine-Type Amaryllidaceae Alkaloids: Total Syntheses of (-)-Brunsvigine and (-)-Manthine","Journal of Organic Chemistry","2008","73","","7580","7585","10.1021/jo801089y","","","0.71073","MoKα","","0.0548","0.0501","","","0.1342","0.1419","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023708","10.4953","0.0008","11.3283","0.0008","13.963","0.001","87.187","0.004","71.842","0.005","73.631","0.005","1512.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 Cl3 F N4 O3 -","- C33 H28 Cl3 F N4 O3 -","- C66 H56 Cl6 F2 N8 O6 -","2","1","","Nuria Mont; Vaibhav Pravinchandra Mehta; Prasad Appukkuttan; Tetyana Beryozkina; Suzzane Toppet; Kristof Van Hecke; Luc Van Meervelt; Arnout Voet; Marc DeMaeyer; Erik Van der Eycken","Diversity Oriented Microwave-Assisted Synthesis of (-)-Steganacin Aza-Analogues","Journal of Organic Chemistry","2008","73","","7509","7516","10.1021/jo801290j","","","1.54178","CuKα","","0.0557","0.05","","","0.1427","0.1484","","","","","","1.13","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023709","10.6646","0.0005","13.0545","0.0005","15.2913","0.0006","90","","90","","90","","2128.87","0.15","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O7 -","- C18 H31 N O7 -","- C72 H124 N4 O28 -","4","1","","Celia Ribes; Eva Falomir; Miguel Carda; J. Alberto Marco","Short, Stereoselective Synthesis of the Naturally Occurring Pyrrolidine Radicamine B and a Formal Synthesis of Nectrisine","Journal of Organic Chemistry","2008","73","","7779","7782","10.1021/jo8012989","","x-ray","0.71073","MoKα","","0.0955","0.0464","","","0.1164","0.1376","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023710","8.9716","0.0009","12.957","0.0013","13.0562","0.0013","63.367","0.002","77.471","0.002","82.101","0.002","1323","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N O P -","- C34 H30 N O P -","- C68 H60 N2 O2 P2 -","2","1","","Biao Jiang; Yang Lei; Xiao-Long Zhao","[2.2]Paracyclophane-Derived Chiral P,N-Ligands: Design, Synthesis, and Application in Palladium-Catalyzed Asymmetric Allylic Alkylation","Journal of Organic Chemistry","2008","73","","7833","7836","10.1021/jo801373r","","x-ray","0.71073","MoKα","","0.0743","0.0555","","","0.1382","0.1477","","","","","","0.97","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023711","23.951","0.005","8.5113","0.0017","23.986","0.013","90","","91.92","0.03","90","","4887","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","3-cyano-2-trimethylsilylphenylboronic acid","","- C10 H14 B N O2 Si -","- C10 H14 B N O2 Si -","- C160 H224 B16 N16 O32 Si16 -","16","2","","Sergiusz Luliński; Katarzyna Zajac","Selective Generation of Lithiated Benzonitriles: the Importance of Reaction Conditions","Journal of Organic Chemistry","2008","73","","7785","7788","10.1021/jo8013808","","","0.71073","MoKα","","0.0721","0.0678","","","0.1798","0.1826","","","","","","1.141","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023712","16.312","0.004","13.323","0.003","7.362","0.002","90","","90","","90","","1599.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O4 S -","- C18 H13 N O4 S -","- C72 H52 N4 O16 S4 -","4","1","","Zhenqian Fu; Mang Wang; Yuhui Ma; Qun Liu; Jun Liu","Synthesis of Functionalized Allylic Sulfoxides and Their Use in the Construction of 2,3,4-Trisubstituted Furans via a [3 + 2] Annulation","Journal of Organic Chemistry","2008","73","","7625","7630","10.1021/jo801406p","","","0.71073","MoKα","","0.155","0.0563","","","0.0803","0.1054","","","","","","0.816","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023713","8.905","0.0006","19.1445","0.0013","22.5916","0.0015","90","","90","","90","","3851.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O -","- C26 H23 N O -","- C208 H184 N8 O8 -","8","1","","Catelijne H. M. Amijs; Verónica López-Carrillo; Mihai Raducan; Patricia Pérez-Galán; Catalina Ferrer; Antonio M. Echavarren","Gold(I)-Catalyzed Intermolecular Addition of Carbon Nucleophiles to 1,5- and 1,6-Enynes","Journal of Organic Chemistry","2008","73","","7721","7730","10.1021/jo8014769","","","0.71073","MoKα","","0.066","0.049","","","0.1267","0.1396","","","","","","1.039","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023714","11.8034","0.0004","11.8187","0.0004","12.4275","0.0004","105.1","0.002","110.678","0.002","107.991","0.002","1403.31","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32.5 H31 Cl O6 -","- C32.5 H31 Cl O6 -","- C65 H62 Cl2 O12 -","2","1","","Catelijne H. M. Amijs; Verónica López-Carrillo; Mihai Raducan; Patricia Pérez-Galán; Catalina Ferrer; Antonio M. Echavarren","Gold(I)-Catalyzed Intermolecular Addition of Carbon Nucleophiles to 1,5- and 1,6-Enynes","Journal of Organic Chemistry","2008","73","","7721","7730","10.1021/jo8014769","","","0.71073","MoKα","","0.0527","0.0434","","","0.1206","0.1286","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023715","9.13","0.0003","17.3426","0.0008","10.2561","0.0005","90","","110.84","0.002","90","","1517.69","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 O4 S -","- C16 H11 F3 O4 S -","- C64 H44 F12 O16 S4 -","4","1","","Simon Specklin; Philippe Bertus; Jean-Marc Weibel; Patrick Pale","A Versatile and Highly Stereoselective Access to Vinyl Triflates Derived from 1,3-Dicarbonyl and Related Compounds","Journal of Organic Chemistry","2008","73","","7845","7848","10.1021/jo8015049","","","0.71073","MoKα","","0.0873","0.0567","","","0.1493","0.1769","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023716","7.8398","0.0002","10.5404","0.0003","29.6581","0.001","90","","90","","90","","2450.79","0.12","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F3 O4 S -","- C11 H9 F3 O4 S -","- C88 H72 F24 O32 S8 -","8","1","","Simon Specklin; Philippe Bertus; Jean-Marc Weibel; Patrick Pale","A Versatile and Highly Stereoselective Access to Vinyl Triflates Derived from 1,3-Dicarbonyl and Related Compounds","Journal of Organic Chemistry","2008","73","","7845","7848","10.1021/jo8015049","","","0.71073","MoKα","","0.0671","0.0438","","","0.1126","0.1354","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023717","24.252","0.005","13.88","0.003","26.057","0.005","90","","91.676","0.004","90","","8767","3","113","2","113","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C85.5 H89 Cl1.5 F12 K2 N1.5 O18 P2 -","- C85.5 H89 Cl1.5 F12 K2 N1.5 O18 P2 -","- C342 H356 Cl6 F48 K8 N6 O72 P8 -","4","1","","Tao Han; Chuan-Feng Chen","Efficient Potassium-Ion-Templated Synthesis and Controlled Destruction of [2]Rotaxanes Based on Cascade Complexes","Journal of Organic Chemistry","2008","73","","7735","7742","10.1021/jo801522f","","","0.7107","MoKα","","0.0868","0.0786","","","0.209","0.2213","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023718","14.386","0.003","14.858","0.004","29.807","0.008","88.545","0.006","87.286","0.006","66.908","0.006","5854","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C111.5 H136.25 F12 K2 N14.75 O22 P2 -","- C111.5 H136.25 F12 K2 N14.75 O22 P2 -","- C223 H272.5 F24 K4 N29.5 O44 P4 -","2","1","","Tao Han; Chuan-Feng Chen","Efficient Potassium-Ion-Templated Synthesis and Controlled Destruction of [2]Rotaxanes Based on Cascade Complexes","Journal of Organic Chemistry","2008","73","","7735","7742","10.1021/jo801522f","","","0.7107","MoKα","","0.0982","0.0795","","","0.2042","0.2193","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023719","18.4577","0.0013","24.5362","0.0019","19.5227","0.0014","90","","101.494","0.002","90","","8664.2","1.1","113.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C89 H133 N7 O7 -","- C89 H119 N7 O7 -","- C356 H476 N28 O28 -","4","1","","Hirohito Tsue; Kazuhiro Matsui; Koichi Ishibashi; Hiroki Takahashi; Satoshi Tokita; Kohei Ono; Rui Tamura","Azacalix[7]arene Heptamethyl Ether: Preparation, Nanochannel Crystal Structure, and Selective Adsorption of Carbon Dioxide","Journal of Organic Chemistry","2008","73","","7748","7755","10.1021/jo801543z","","","0.71075","MoKα","","","0.1167","","","","0.3759","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023720","7.6126","0.0013","5.4946","0.0009","21.26","0.004","90","","94.298","0.004","90","","886.8","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H29 N O6 -","- C17 H29 N O6 -","- C34 H58 N2 O12 -","2","1","","Joshua G. Pierce; Dhanalakshmi Kasi; Makoto Fushimi; Anthony Cuzzupe; Peter Wipf","Synthesis of Hydroxylated Bicyclic Amino Acids from L-Tyrosine: Octahydro-1H-indole Carboxylates","Journal of Organic Chemistry","2008","73","","7807","7810","10.1021/jo801552j","","","0.71073","MoKα","","0.0942","0.0549","","","0.1254","0.1418","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023721","16.5665","0.0014","5.8536","0.0005","35.113","0.003","90","","90","","90","","3405.1","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 Br N O7 -","- C17 H20 Br N O7 -","- C136 H160 Br8 N8 O56 -","8","2","","Joshua G. Pierce; Dhanalakshmi Kasi; Makoto Fushimi; Anthony Cuzzupe; Peter Wipf","Synthesis of Hydroxylated Bicyclic Amino Acids from L-Tyrosine: Octahydro-1H-indole Carboxylates","Journal of Organic Chemistry","2008","73","","7807","7810","10.1021/jo801552j","","","0.71073","MoKα","","0.0984","0.0571","","","0.1193","0.1386","","","","","","0.992","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023722","9.7745","0.0009","12.6882","0.0012","10.843","0.001","90","","93.247","0.002","90","","1342.6","0.2","383","2","383","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H23 N O3 S -","- C12 H23 N O3 S -","- C48 H92 N4 O12 S4 -","4","1","","Susannah C. Coote; Stephen P. Moore; Peter O'Brien; Adrian C. Whitwood; John Gilday","Organolithium-Mediated Conversion of β-Alkoxy Aziridines into Allylic Sulfonamides: Effect of the N-Sulfonyl Group and a Formal Synthesis of (\±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","7852","7855","10.1021/jo801586h","","","0.71073","MoKα","","0.0545","0.0423","","","0.098","0.1033","","","","","","1.045","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023723","13.5621","0.0008","13.4559","0.0007","19.5848","0.0011","90","","90","","90","","3574","0.3","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C144 H200 N8 O24 S8 -","8","1","","Susannah C. Coote; Stephen P. Moore; Peter O'Brien; Adrian C. Whitwood; John Gilday","Organolithium-Mediated Conversion of β-Alkoxy Aziridines into Allylic Sulfonamides: Effect of the N-Sulfonyl Group and a Formal Synthesis of (\±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","7852","7855","10.1021/jo801586h","","","0.71073","MoKα","","0.0513","0.0375","","","0.0963","0.1063","","","","","","1.011","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023724","8.8986","0.0014","12.667","0.0019","10.1926","0.0016","90","","97.923","0.002","90","","1137.9","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Br O3 -","- C11 H15 Br O3 -","- C44 H60 Br4 O12 -","4","1","","Michael D. Markey; T. Ross Kelly","Synthesis of Cribrostatin 6","Journal of Organic Chemistry","2008","73","","7441","7443","10.1021/jo801694w","","","0.71073","MoKα","","0.0727","0.0468","","","0.0843","0.0929","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023725","8.791","0.0018","9.756","0.002","19.194","0.004","90","","90","","90","","1646.2","0.6","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Cl3 N O5 P -","- C12 H15 Cl3 N O5 P -","- C48 H60 Cl12 N4 O20 P4 -","4","1","","Diederica D. Claeys; Kristof Moonen; Bart I. Roman; Victor N. Nemykin; Viktor V. Zhdankin; Michel Waroquier; Veronique Van Speybroeck; Christian V. Stevens","Synthesis of Tricyclic Phosphonopyrrolidines via IMDAF: Experimental and Theoretical Investigation of the Observed Stereoselectivity","Journal of Organic Chemistry","2008","73","","7921","7927","10.1021/jo801138s","","","0.71073","MoKα","","0.0639","0.0592","","0.1815","0.169","0.169","","","","","","0.9749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023726","5.709","0.0011","15.564","0.003","9.005","0.0018","90","","95.57","0.03","90","","796.4","0.3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl3 N O5 P -","- C12 H15 Cl3 N O5 P -","- C24 H30 Cl6 N2 O10 P2 -","2","1","","Diederica D. Claeys; Kristof Moonen; Bart I. Roman; Victor N. Nemykin; Viktor V. Zhdankin; Michel Waroquier; Veronique Van Speybroeck; Christian V. Stevens","Synthesis of Tricyclic Phosphonopyrrolidines via IMDAF: Experimental and Theoretical Investigation of the Observed Stereoselectivity","Journal of Organic Chemistry","2008","73","","7921","7927","10.1021/jo801138s","","","0.71073","MoKα","","0.0651","0.0589","","0.1503","0.1444","0.1444","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023727","10.4065","0.0014","12.2255","0.0015","21.927","0.003","90","","90","","90","","2789.7","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Cl3 N O6 S -","- C25 H36 Cl3 N O6 S -","- C100 H144 Cl12 N4 O24 S4 -","4","1","","Hiroshi Nagase; Naoshi Yamamoto; Toru Nemoto; Kenji Yoza; Kenshu Kamiya; Shuichi Hirono; Shinobu Momen; Naoki Izumimoto; Ko Hasebe; Hidenori Mochizuki; Hideaki Fujii","Synthesis of a Stable Iminium Salt and Propellane Derivatives","Journal of Organic Chemistry","2008","73","","8093","8096","10.1021/jo801276z","","","0.71073","MoKα","","0.0648","0.047","","","0.1008","0.109","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023728","8.0495","0.001","12.1079","0.0015","14.6562","0.0019","90","","90","","90","","1428.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Hiroshi Nagase; Naoshi Yamamoto; Toru Nemoto; Kenji Yoza; Kenshu Kamiya; Shuichi Hirono; Shinobu Momen; Naoki Izumimoto; Ko Hasebe; Hidenori Mochizuki; Hideaki Fujii","Synthesis of a Stable Iminium Salt and Propellane Derivatives","Journal of Organic Chemistry","2008","73","","8093","8096","10.1021/jo801276z","","","0.71073","MoKα","","0.0481","0.0388","","","0.082","0.0866","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023729","9.7478","0.001","9.9261","0.0011","19.295","0.002","90","","104.055","0.002","90","","1811.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I O2 P -","- C18 H20 I O2 P -","- C72 H80 I4 O8 P4 -","4","1","","Hao Guo; Rong Qian; Yinlong Guo; Shengming Ma","Neighboring Group Participation of Phosphine Oxide Functionality in the Highly Regio- and Stereoselective Iodohydroxylation of 1,2-Allenylic Diphenyl Phosphine Oxides","Journal of Organic Chemistry","2008","73","","7934","7938","10.1021/jo8013462","","","0.71073","MoKα","","0.0623","0.0477","","","0.1177","0.1272","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023730","19.0535","0.0016","9.9527","0.0008","10.6887","0.0009","90","","90","","90","","2026.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H17 I2 O P -","- C21 H17 I2 O P -","- C84 H68 I8 O4 P4 -","4","1","","Hao Guo; Rong Qian; Yinlong Guo; Shengming Ma","Neighboring Group Participation of Phosphine Oxide Functionality in the Highly Regio- and Stereoselective Iodohydroxylation of 1,2-Allenylic Diphenyl Phosphine Oxides","Journal of Organic Chemistry","2008","73","","7934","7938","10.1021/jo8013462","","","0.71073","MoKα","","0.0571","0.0462","","","0.1048","0.1097","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023731","9.5196","0.001","11.4005","0.0012","14.7887","0.0016","90","","90","","90","","1605","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 I O2 P -","- C16 H16 I O2 P -","- C64 H64 I4 O8 P4 -","4","1","","Hao Guo; Rong Qian; Yinlong Guo; Shengming Ma","Neighboring Group Participation of Phosphine Oxide Functionality in the Highly Regio- and Stereoselective Iodohydroxylation of 1,2-Allenylic Diphenyl Phosphine Oxides","Journal of Organic Chemistry","2008","73","","7934","7938","10.1021/jo8013462","","","0.71073","MoKα","","0.0464","0.0384","","","0.0753","0.0778","","","","","","0.935","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023732","6.3597","0.0003","12.0086","0.0007","18.7931","0.001","90","","90","","90","","1435.25","0.13","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C56 H48 N16 O32 -","8","1","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","","0.71073","MoKα","","0.0403","0.0374","","","0.0975","0.1006","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023733","18.379","0.004","9.495","0.0019","11.587","0.002","90","","114.014","0.004","90","","1847.1","0.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","0.5","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","","0.71073","MoKα","","0.0577","0.051","","","0.1389","0.1465","","","","","","1.054","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023734","10.2077","0.0002","19.581","0.0004","11.8828","0.0002","90","","103.176","0.0011","90","","2312.57","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cl6 N2 O4 -","- C17 H24 Cl6 N2 O4 -","- C68 H96 Cl24 N8 O16 -","4","1","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","x-ray","0.71073","MoKα","","0.0935","0.0715","","","0.1916","0.2079","","","","","","1.051","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023735","6.8473","0.0005","8.163","0.0005","22.5408","0.0015","90","","90.794","0.001","90","","1259.79","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","","0.71073","MoKα","","0.0363","0.0349","","","0.0918","0.0935","","","","","","1.046","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023736","10.4502","0.0013","8.407","0.0011","16.29","0.002","90","","103.002","0.002","90","","1394.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","","0.71073","MoKα","","0.0578","0.0428","","","0.1082","0.1229","","","","","","1.002","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023737","11.9751","0.0002","9.7313","0.0002","20.2462","0.0003","90","","103.775","0.0013","90","","2291.5","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C108 H120 N8 O12 -","4","1","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","x-ray","0.71073","MoKα","","0.065","0.044","","","0.106","0.1183","","","","","","1.067","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023738","9.8227","0.0002","10.8655","0.0002","13.7005","0.0002","90.428","0.001","96.336","0.001","93.668","0.001","1450.17","0.05","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H28 S4 -","- C33 H28 S4 -","- C66 H56 S8 -","2","1","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0628","0.0366","","","0.0846","0.0948","","","","","","1.014","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023739","11.3467","0.0003","10.1243","0.0003","12.5302","0.0003","90","","92.643","0.001","90","","1437.91","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 S4 -","- C30 H28 S4 -","- C60 H56 S8 -","2","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0587","0.0414","","","0.1032","0.1127","","","","","","1.027","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023740","8.2206","0.0003","12.8156","0.0004","13.7297","0.0005","65.421","0.001","86.628","0.002","75.32","0.001","1270.66","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H76 S4 -","- C54 H76 S4 -","- C54 H76 S4 -","1","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.1346","0.0552","","","0.13","0.1591","","","","","","0.98","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023741","13.1593","0.0018","9.17","0.0013","15.565","0.002","90","","114.261","0.003","90","","1712.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 S4 -","- C38 H44 S4 -","- C76 H88 S8 -","2","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0557","0.0493","","","0.1153","0.1186","","","","","","1.22","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023742","9.64","0.0002","17.2157","0.0001","11.4959","0.0002","90","","106.265","0.001","90","","1831.49","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 S4 -","- C40 H48 S4 -","- C80 H96 S8 -","2","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0578","0.0374","","","0.0892","0.0994","","","","","","1.036","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023743","5.9995","0.0001","20.0529","0.0003","16.1288","0.0002","90","","95.919","0.001","90","","1930.07","0.05","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 S4 -","- C42 H52 S4 -","- C84 H104 S8 -","2","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0549","0.0349","","","0.0777","0.0852","","","","","","1.042","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023744","12.5412","0.0003","8.8176","0.0002","16.9559","0.0004","90","","110.527","0.001","90","","1755.99","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Se4 -","- C38 H44 Se4 -","- C76 H88 Se8 -","2","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0346","0.0246","","","0.0572","0.0611","","","","","","1.063","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023745","17.2898","0.0003","17.2898","0.0003","14.4921","0.0004","90","","90","","90","","4332.23","0.16","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C46 H54 Se4 -","- C46 H54.948 Se4 -","- C184 H219.792 Se16 -","4","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","x-ray","0.71073","MoKα","","0.1385","0.0408","","","0.066","0.0883","","","","","","1.013","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023746","5.9637","0.0006","19.835","0.002","16.5139","0.0017","90","","95.294","0.002","90","","1945.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Se4 -","- C42 H52 Se4 -","- C84 H104 Se8 -","2","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0356","0.027","","","0.0568","0.0594","","","","","","1.048","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023747","12.6465","0.0015","10.2668","0.0012","17.521","0.002","90","","106.627","0.003","90","","2179.7","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Se4 -","- C44 H56 Se4 -","- C88 H112 Se8 -","2","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0402","0.0312","","","0.0737","0.0781","","","","","","1.028","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023748","11.6618","0.0004","10.3412","0.0004","11.5186","0.0004","90","","107.935","0.001","90","","1321.61","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 S2 -","- C12 H18 N2 S2 -","- C48 H72 N8 S8 -","4","1","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0436","0.0317","","","0.075","0.0808","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023749","11.646","0.001","10.434","0.001","11.443","0.001","90","","106.003","0.002","90","","1336.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 Se2 -","- C12 H18 N2 Se2 -","- C48 H72 N8 Se8 -","4","1","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","","0.71073","MoKα","","0.0429","0.0395","","","0.0929","0.0954","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023750","14.5259","0.0008","8.8322","0.0005","18.6777","0.0012","90","","92.398","0.004","90","","2394.2","0.2","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 O4 -","- C34 H22 O4 -","- C136 H88 O16 -","4","1","","Carmen Romero; Diego Peña; Dolores Pérez; Enrique Guitián","Palladium-Catalyzed [2 + 2 + 2] Cycloadditions of 3,4-Didehydrophenanthrene and 1,2-Didehydrotriphenylene","Journal of Organic Chemistry","2008","73","","7996","8000","10.1021/jo8013947","","x-ray","1.54184","CuKα","","0.1252","0.0498","","","0.1303","0.1638","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023751","9.645","0.0019","12.712","0.003","7.36","0.0015","90","","90","","90","","902.4","0.3","100","2","100","2","","","","","","","","2","P m m n :2","-P 2ab 2a","59","[9](2,7)pyrenophane","[9](2,7)pyrenophane","","- C25 H26 -","- C25 H26 -","- C50 H52 -","2","0.25","","Michał A. Dobrowolski; Michał K. Cyrański; Bradley L. Merner; Graham J. Bodwell; Judy I. Wu; von Ragué Schleyer, Paul","Interplay of π-Electron Delocalization and Strain in [n](2,7)Pyrenophanes","Journal of Organic Chemistry","2008","73","","8001","8009","10.1021/jo8014159","","","0.71073","MoKα","","0.0934","0.042","","","0.0746","0.09","","","","","","0.95","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023752","9.708","0.0019","13.081","0.003","7.337","0.0015","90","","90","","90","","931.7","0.3","100","2","100","2","","","","","","","","2","P m m n :2","-P 2ab 2a","59","[10](2,7)pyrenophane","[10](2,7)pyrenophane","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","0.25","","Michał A. Dobrowolski; Michał K. Cyrański; Bradley L. Merner; Graham J. Bodwell; Judy I. Wu; von Ragué Schleyer, Paul","Interplay of π-Electron Delocalization and Strain in [n](2,7)Pyrenophanes","Journal of Organic Chemistry","2008","73","","8001","8009","10.1021/jo8014159","","","0.71073","MoKα","","0.0409","0.0358","","","0.0986","0.1027","","","","","","1.071","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023753","4.7431","0.0002","7.492","0.0003","23.6413","0.0009","90","","90","","90","","840.1","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O -","- C9 H14 O -","- C36 H56 O4 -","4","1","","Roderick W. Bates; S. Sridhar","A Synthesis of (-)-Mintlactone","Journal of Organic Chemistry","2008","73","","8104","8105","10.1021/jo801433f","","","0.71073","MoKα","","0.0733","0.0524","","","0.1427","0.1719","","","","","","1.166","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023754","17.3487","0.0003","18.2631","0.0004","25.9754","0.0006","76.485","0.001","81.281","0.001","77.478","0.001","7767.5","0.3","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H209 Cl N8 O21 S12 -","- C150 H206.5 Cl N8 O21 S12 -","- C300 H413 Cl2 N16 O42 S24 -","2","1","","Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa; Klaus Bernauer; Ulrich Scholten; Roland Graff","The Proton Complex of a Diaza-macropentacycle: Structure, Slow Formation, and Chirality Induction by Ion Pairing with the Optically Active 1,1'-Binaphthyl-2,2'-diyl Phosphate Anion","Journal of Organic Chemistry","2008","73","","7871","7881","10.1021/jo801438d","","","0.71069","MoKα","","0.1393","0.0779","","","0.1478","0.1715","","","","","","1.072","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023755","11.582","0.002","33.315","0.007","7.927","0.0016","90","","105.36","0.03","90","","2949.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-benzoyl-4-phenyl-4-(2,4,5-tricyanophenyl)pentanoate","","- C61 H52 N6 O7 -","- C61 H52 N6 O7 -","- C122 H104 N12 O14 -","2","0.5","","Zhi-Feng Lu; Yong-Miao Shen; Jia-Jun Yue; Hong-Wen Hu; Jian-Hua Xu","Photoinduced Three-Component Reactions of Tetracyanobenzene with Alkenes in the Presence of 1,3-Dicarbonyl Compounds as Nucleophiles","Journal of Organic Chemistry","2008","73","","8010","8015","10.1021/jo801448v","","","0.71073","MoKα","","0.1723","0.0943","","","0.2891","0.3533","","","","","","1.054","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023756","14.361","0.003","8.496","0.0017","15.965","0.003","90","","107.43","0.03","90","","1858.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-(2,4-Dioxopentan-3-yl)-2,3-dihydrobenzofuran-3-yl) benzene-1,2,4-tricarbonitrile","","- C22 H15 N3 O3 -","- C22 H15 N3 O3 -","- C88 H60 N12 O12 -","4","1","","Zhi-Feng Lu; Yong-Miao Shen; Jia-Jun Yue; Hong-Wen Hu; Jian-Hua Xu","Photoinduced Three-Component Reactions of Tetracyanobenzene with Alkenes in the Presence of 1,3-Dicarbonyl Compounds as Nucleophiles","Journal of Organic Chemistry","2008","73","","8010","8015","10.1021/jo801448v","","","0.71073","MoKα","","0.1083","0.0632","","","0.144","0.1901","","","","","","1.005","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023757","8.9876","0.0018","11.718","0.002","15.898","0.003","90","","90","","90","","1674.3","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O4 -","- C19 H17 Cl O4 -","- C76 H68 Cl4 O16 -","4","1","","Lin He; Hui Lv; Yan-Rong Zhang; Song Ye","Formal Cycloaddition of Disubstituted Ketenes with 2-Oxoaldehydes Catalyzed by Chiral N-Heterocyclic Carbenes","Journal of Organic Chemistry","2008","73","","8101","8103","10.1021/jo801494f","","","0.71073","MoKα","","0.0751","0.032","","","0.0896","0.0985","","","","","","0.771","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023758","9.8266","0.0012","10.9444","0.0014","12.8119","0.0016","69.316","0.002","87.5","0.002","84.791","0.002","1283.6","0.3","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 N O Si -","- C29 H37 N O Si -","- C58 H74 N2 O2 Si2 -","2","1","","Zulimar Nevárez; K. A. Woerpel","Dearomatization Reactions of Aryl-Substituted Silaaziridines","Journal of Organic Chemistry","2008","73","","8113","8115","10.1021/jo801502x","","","0.71073","MoKα","","0.0625","0.048","","","0.1242","0.1364","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4023759","33.044","0.003","8.9073","0.0007","18.9986","0.0016","90","","117.277","0.001","90","","4970","0.7","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 N O Si -","- C26 H39 N O Si -","- C208 H312 N8 O8 Si8 -","8","1","","Zulimar Nevárez; K. A. Woerpel","Dearomatization Reactions of Aryl-Substituted Silaaziridines","Journal of Organic Chemistry","2008","73","","8113","8115","10.1021/jo801502x","","","0.71073","MoKα","","0.051","0.0391","","","0.0976","0.1075","","","","","","1.036","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023760","18.628","0.005","8.689","0.002","16.855","0.004","90","","108.092","0.004","90","","2593.3","1.1","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N O Si -","- C29 H37 N O Si -","- C116 H148 N4 O4 Si4 -","4","1","","Zulimar Nevárez; K. A. Woerpel","Dearomatization Reactions of Aryl-Substituted Silaaziridines","Journal of Organic Chemistry","2008","73","","8113","8115","10.1021/jo801502x","","","0.71073","MoKα","","0.0976","0.0761","","","0.206","0.2186","","","","","","1.116","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4023761","5.5997","0.0006","11.7922","0.0013","13.075","0.002","90","","90","","90","","863.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Abdul Hameed; Alexander J. Blake; Christopher J. Hayes","A Second Generation Formal Synthesis of (-)-Cephalotaxine","Journal of Organic Chemistry","2008","73","","8045","8048","10.1021/jo801540q","","","0.71073","MoKα","","0.0437","0.0379","","","0.0758","0.0776","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023762","6.6437","0.0006","9.2713","0.0008","11.2039","0.0012","90","","107.245","0.004","90","","659.09","0.11","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 I O3 -","- C12 H17 I O3 -","- C24 H34 I2 O6 -","2","1","","Quan Zhou; Barry B. Snider","Synthesis of (±)- and (-)-Vibralactone and Vibralactone C","Journal of Organic Chemistry","2008","73","","8049","8056","10.1021/jo8015743","","","0.71073","MoKα","","0.0148","0.0146","","0.0385","0.0384","0.0385","","","","","","0.9875","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023763","6.6159","0.0002","24.3508","0.0007","8.0178","0.0002","90","","99.115","0.002","90","","1275.38","0.06","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 I O3 -","- C12 H17 I O3 -","- C48 H68 I4 O12 -","4","1","","Quan Zhou; Barry B. Snider","Synthesis of (±)- and (-)-Vibralactone and Vibralactone C","Journal of Organic Chemistry","2008","73","","8049","8056","10.1021/jo8015743","","","0.71073","MoKα","","0.0293","0.0242","","0.0564","0.0546","0.0564","","","","","","1.0143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023764","6.47964","0.00012","18.7937","0.0004","10.00904","0.00018","90","","101.789","0.001","90","","1193.15","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-bithieno[3,2-b]thiophene 1,1-dioxide","2,2'-bithieno[3,2-b]thiophene 1,1-dioxide","","- C12 H6 O2 S4 -","- C12 H6 O2 S4 -","- C48 H24 O8 S16 -","4","1","","Lidaris San Miguel; Adam J. Matzger","Regiochemical Effects of Sulfur Oxidation on the Electronic and Solid-State Properties of Planarized Oligothiophenes Containing Thieno[3,2-b]thiophene Units","Journal of Organic Chemistry","2008","73","","7882","7888","10.1021/jo801619q","","","1.54187","CuKα","","0.0583","0.0455","","","0.1096","0.1188","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023765","8.4033","0.0006","10.5626","0.0008","13.6778","0.0012","90","","93.253","0.005","90","","1212.1","0.17","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","[2,2']Bi[thieno[3,2-b]thiophenyl] 4,4-dioxide","","- C12 H6 O2 S4 -","- C12 H6 O2 S4 -","- C48 H24 O8 S16 -","4","1","","Lidaris San Miguel; Adam J. Matzger","Regiochemical Effects of Sulfur Oxidation on the Electronic and Solid-State Properties of Planarized Oligothiophenes Containing Thieno[3,2-b]thiophene Units","Journal of Organic Chemistry","2008","73","","7882","7888","10.1021/jo801619q","","","1.54187","CuKα","","0.0327","0.031","","","0.0833","0.0844","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023766","6.09905","0.00015","16.4375","0.0006","6.54633","0.00018","90","","102.879","0.002","90","","639.78","0.03","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","T2O2-O2T2","2,2'-bithieno[3,2-b]thiophene 1,1,1',1'-tetraoxide","","- C12 H6 O4 S4 -","- C12 H6 O4 S4 -","- C24 H12 O8 S8 -","2","0.5","","Lidaris San Miguel; Adam J. Matzger","Regiochemical Effects of Sulfur Oxidation on the Electronic and Solid-State Properties of Planarized Oligothiophenes Containing Thieno[3,2-b]thiophene Units","Journal of Organic Chemistry","2008","73","","7882","7888","10.1021/jo801619q","","","1.54187","CuKα","","0.0349","0.0333","","","0.0809","0.0819","","","","","","1.084","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023767","15.325","0.008","7.976","0.002","16.45","0.007","90","","107.79","0.017","90","","1914.6","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.0795","0.0466","","","0.0984","0.1127","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023768","47.57","0.0016","6.261","0.0004","32.118","0.0014","90","","131.101","0.004","90","","7208.4","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C272 H352 N32 O64 S16 -","16","2","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.1735","0.0707","","","0.1403","0.1895","","","","","","1.008","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023769","5.935","0.002","24.052","0.011","16.016","0.007","90","","93.27","0.03","90","","2282.5","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C104 H104 N8 O8 S4 -","4","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.1041","0.0529","","","0.1094","0.1326","","","","","","1.02","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023770","6.004","0.002","24.154","0.009","9.443","0.002","90","","94.47","0.02","90","","1365.3","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H23 Cl3 N2 O3 S -","- C29 H23 Cl3 N2 O3 S -","- C58 H46 Cl6 N4 O6 S2 -","2","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.0638","0.0479","","","0.0943","0.1023","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023771","9.382","0.005","10.986","0.003","17.251","0.008","90","","96.839","0.019","90","","1765.4","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C68 H84 N4 O20 S4 -","4","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.0638","0.0418","","","0.0963","0.109","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023772","11.668","0.001","13.035","0.002","10.274","0.002","90","","91.47","0.009","90","","1562.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.116","0.0592","","","0.1179","0.1434","","","","","","1.074","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023773","8.585","0.003","22.167","0.01","10.125","0.004","90","","105.23","0.02","90","","1859.2","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O3 S -","- C20 H27 N O3 S -","- C80 H108 N4 O12 S4 -","4","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.1126","0.054","","","0.1211","0.1462","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023774","10.434","0.003","9.976","0.006","8.094","0.006","90","","101.4","0.03","90","","825.9","0.8","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C17 H22 N2 O3 S -","- C17 H22 N2 O3 S -","- C34 H44 N4 O6 S2 -","2","1","","Detian Gao; Huimin Zhai; Masood Parvez; Thomas G. Back","1,3-Dipolar Cycloadditions of Acetylenic Sulfones in Solution and on Solid Supports","Journal of Organic Chemistry","2008","73","","8057","8068","10.1021/jo801621d","","","0.71073","MoKα","","0.0494","0.0381","","","0.0981","0.1186","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023775","34.451","0.009","19.752","0.005","7.442","0.002","90","","90","","90","","5064","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H27.33 N2 O1.67 S2 -","- C15 H26 N2 O1.66667 S2 -","- C180 H312 N24 O20 S24 -","12","3","","Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo","Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine","Journal of Organic Chemistry","2008","73","","8116","8119","10.1021/jo801652x","","","1.54178","CuKα","","0.2111","0.1498","","","0.3628","0.4202","","","","","","1.354","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023776","6.2729","0.0013","11.291","0.002","12.464","0.003","90","","90","","90","","882.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo","Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine","Journal of Organic Chemistry","2008","73","","8116","8119","10.1021/jo801652x","","","1.54178","CuKα","","0.0501","0.0356","","","0.0736","0.0793","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023777","22.3823","0.0009","22.3823","0.0009","6.5334","0.0003","90","","90","","90","","3273","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H24 N2 O S2 -","- C14 H24 N2 O S2 -","- C112 H192 N16 O8 S16 -","8","1","","Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo","Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine","Journal of Organic Chemistry","2008","73","","8116","8119","10.1021/jo801652x","","","1.54248","CuKα","","0.0301","0.0289","","","0.0725","0.0735","","","","","","1.047","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023778","9.9385","0.0004","10.4713","0.0003","29.9752","0.0011","90","","93.959","0.002","90","","3112.05","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl N O5 -","- C15 H20 Cl N O5 -","- C120 H160 Cl8 N8 O40 -","8","2","","Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo","Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine","Journal of Organic Chemistry","2008","73","","8116","8119","10.1021/jo801652x","","","0.71073","MoKα","","0.1934","0.0818","","","0.18","0.2366","","","","","","0.958","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023779","13.068","0.011","9.569","0.008","8.832","0.007","90","","96.246","0.015","90","","1097.9","1.5","165","2","165","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 F8 O2 -","- C28 H14 F8 O2 -","- C56 H28 F16 O4 -","2","0.5","","John F. Tannaci; Masahiro Noji; Jennifer L. McBee; T. Don Tilley","9,10-Disubstituted Octafluoroanthracene Derivatives via Palladium-Catalyzed Cross-Coupling","Journal of Organic Chemistry","2008","73","","7895","7900","10.1021/jo8017268","","","0.71073","MoKα","","0.1003","0.0589","","","0.1464","0.1556","","","","","","0.928","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023780","6.355","0.006","12.399","0.011","11.714","0.01","90","","101.044","0.013","90","","905.9","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21.32 H5.32 F8 S2 -","- C21.32 H5.32 F8 S2 -","- C42.64 H10.64 F16 S4 -","2","0.5","","John F. Tannaci; Masahiro Noji; Jennifer L. McBee; T. Don Tilley","9,10-Disubstituted Octafluoroanthracene Derivatives via Palladium-Catalyzed Cross-Coupling","Journal of Organic Chemistry","2008","73","","7895","7900","10.1021/jo8017268","","","0.71073","MoKα","","0.1085","0.0609","","","0.1927","0.2192","","","","","","1.048","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023781","7.1","0.003","19.122","0.008","18.911","0.008","90","","98.757","0.007","90","","2537.4","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24.4 H18 Cl1.6 F8 Si2 -","- C24.4 H18 Cl1.6 F8 Si2 -","- C97.6 H72 Cl6.4 F32 Si8 -","4","1","","John F. Tannaci; Masahiro Noji; Jennifer L. McBee; T. Don Tilley","9,10-Disubstituted Octafluoroanthracene Derivatives via Palladium-Catalyzed Cross-Coupling","Journal of Organic Chemistry","2008","73","","7895","7900","10.1021/jo8017268","","","0.71073","MoKα","","0.2369","0.0608","","","0.1043","0.1271","","","","","","0.619","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023782","10.597","0.002","12.793","0.003","13.519","0.003","63.73","0.03","80.57","0.03","77.57","0.03","1600","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N3 O S -","- C16 H17 N3 O S -","- C64 H68 N12 O4 S4 -","4","2","","Jianglei Hu; Qian Zhang; Hongjuan Yuan; Qun Liu","Temperature-Controlled Synthesis of Substituted Pyridine Derivatives via the [5C + 1N] Annulation of 1,1-Bisalkylthio-1,4-pentanedienes and Ammonium Acetate","Journal of Organic Chemistry","2008","73","","8132","8132","10.1021/jo802007a","","","0.71073","MoKα","","0.1371","0.0568","","","0.096","0.1119","","","","","","1.002","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023783","20.538","0.0004","7.689","0.0002","20.061","0.0004","90","","111.509","0.0014","90","","2947.35","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F2 N2 O2 -","- C17 H14 F2 N2 O2 -","- C136 H112 F16 N16 O16 -","8","1","","Ronald Grigg; Visuvanathar Sridharan; Mufakhrul Shah; Simon Mutton; Colin Kilner; David MacPherson; Peter Milner","Regioselective Synthesis of N-Aminoisoindolones and Mono-N- and Di-N,N'-substituted Phthalazones Utilizing Hydrazine Nucleophiles in a Palladium-Catalyzed Three-Component Cascade Process","Journal of Organic Chemistry","2008","73","","8352","8356","10.1021/jo800822p","","","0.71073","MoKα","","0.0617","0.0544","","","0.1533","0.1614","","","","","","1.055","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023784","6.828","0.0002","8.565","0.0002","11.405","0.0004","111.446","0.0012","90.298","0.0012","103.166","0.0018","601.6","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F3 N3 O -","- C12 H10 F3 N3 O -","- C24 H20 F6 N6 O2 -","2","1","","Ronald Grigg; Visuvanathar Sridharan; Mufakhrul Shah; Simon Mutton; Colin Kilner; David MacPherson; Peter Milner","Regioselective Synthesis of N-Aminoisoindolones and Mono-N- and Di-N,N'-substituted Phthalazones Utilizing Hydrazine Nucleophiles in a Palladium-Catalyzed Three-Component Cascade Process","Journal of Organic Chemistry","2008","73","","8352","8356","10.1021/jo800822p","","","0.71073","MoKα","","0.0578","0.0405","","","0.1032","0.1121","","","","","","1.055","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023785","11.2056","0.0014","11.5549","0.0014","13.4431","0.0014","86.045","0.006","68.651","0.006","83.806","0.006","1610.9","0.3","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","2","","Ronald Grigg; Visuvanathar Sridharan; Mufakhrul Shah; Simon Mutton; Colin Kilner; David MacPherson; Peter Milner","Regioselective Synthesis of N-Aminoisoindolones and Mono-N- and Di-N,N'-substituted Phthalazones Utilizing Hydrazine Nucleophiles in a Palladium-Catalyzed Three-Component Cascade Process","Journal of Organic Chemistry","2008","73","","8352","8356","10.1021/jo800822p","","","0.71073","MoKα","","0.0605","0.0392","","","0.0894","0.1","","","","","","1.008","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023786","10.642","0.0002","8.3077","0.0002","38.1238","0.0008","90","","90","","90","","3370.55","0.12","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","1","","Ronald Grigg; Visuvanathar Sridharan; Mufakhrul Shah; Simon Mutton; Colin Kilner; David MacPherson; Peter Milner","Regioselective Synthesis of N-Aminoisoindolones and Mono-N- and Di-N,N'-substituted Phthalazones Utilizing Hydrazine Nucleophiles in a Palladium-Catalyzed Three-Component Cascade Process","Journal of Organic Chemistry","2008","73","","8352","8356","10.1021/jo800822p","","x-ray","0.71073","MoKα","","0.1283","0.0872","","","0.2063","0.2456","","","","","","1.047","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023787","28.3773","0.0019","12.3711","0.0008","22.9745","0.0015","90","","105.533","0.002","90","","7770.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H92 N8 O6 -","- C84 H82 N6 O4 -","- C336 H328 N24 O16 -","4","1","","Sun Young Park; Jung Hee Yoon; Chang Seop Hong; Rachid Souane; Jong Seung Kim; Susan E. Matthews; Jacques Vicens","A Pyrenyl-Appended Triazole-Based Calix[4]arene as a Fluorescent Sensor for Cd^2+^ and Zn^2+^","Journal of Organic Chemistry","2008","73","","8212","8218","10.1021/jo8012918","","","0.71073","MoKα","","0.2738","0.0894","","","0.2114","0.2674","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023788","7.916","0.004","8.961","0.004","11.39","0.005","92.725","0.006","105.385","0.006","97.941","0.006","768.5","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,2'-Bis(fluorodiphenylsilyl)-4,4'-dimethylazobenzene","","- C38 H32 F2 N2 Si2 -","- C38 H32 F2 N2 Si2 -","- C38 H32 F2 N2 Si2 -","1","0.5","","Masaki Yamamura; Naokazu Kano; Takayuki Kawashima; Tomonari Matsumoto; Jun Harada; Keiichiro Ogawa","Crucial Role of N...Si Interactions in the Solid-State Coloration of Disilylazobenzenes","Journal of Organic Chemistry","2008","73","","8244","8249","10.1021/jo801334a","","","0.7107","MoKα","","0.0422","0.0369","","","0.1049","0.1092","","","","","","1.101","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023789","10.851","0.004","11.525","0.004","15.43","0.005","95.857","0.004","100.122","0.004","99.054","0.004","1859.1","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4,4'-Dibutyl-2,2'-bis(fluorodiphenylsilyl)azobenzene","","- C44 H44 F2 N2 Si2 -","- C44 H44 F2 N2 Si2 -","- C88 H88 F4 N4 Si4 -","2","1","","Masaki Yamamura; Naokazu Kano; Takayuki Kawashima; Tomonari Matsumoto; Jun Harada; Keiichiro Ogawa","Crucial Role of N...Si Interactions in the Solid-State Coloration of Disilylazobenzenes","Journal of Organic Chemistry","2008","73","","8244","8249","10.1021/jo801334a","","","0.7107","MoKα","","0.0387","0.0319","","","0.0809","0.0858","","","","","","1.053","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023790","11.439","0.003","7.1401","0.0016","13.216","0.004","90","","107.08","0.02","90","","1031.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-ethyl-pyrido[1,2-a][1,2,4]-triazol-2-ium hexafluorophosphate","","","- C8 H10 B F4 N3 -","- C8 H10 B F4 N3 -","- C32 H40 B4 F16 N12 -","4","1","","Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You","Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis","Journal of Organic Chemistry","2008","73","","8256","8264","10.1021/jo801349d","","","0.71073","MoKα","","0.1435","0.0534","","","0.1306","0.1601","","","","","","0.942","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023791","5.9208","0.0019","30.045","0.009","7.824","0.002","90","","108.27","0.02","90","","1321.6","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Phenyl-pyrido[1,2-a][1,2,4]-triazol-2-ium hexafluorophosphate","","","- C12 H10 F6 N3 P -","- C12 H10 F6 N3 P -","- C48 H40 F24 N12 P4 -","4","1","","Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You","Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis","Journal of Organic Chemistry","2008","73","","8256","8264","10.1021/jo801349d","","","0.71073","MoKα","","0.1358","0.0675","","","0.1791","0.2043","","","","","","1.022","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023792","6.706","0.003","20.431","0.009","6.9139","0.0019","90","","111.03","0.03","90","","884.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-Ethyl-pyrido[1,2-a][1,2,4]-triazol-3-thione","","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C32 H36 N12 S4 -","4","1","","Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You","Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis","Journal of Organic Chemistry","2008","73","","8256","8264","10.1021/jo801349d","","","0.71073","MoKα","","0.0924","0.0433","","","0.1013","0.1147","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023793","12.484","0.008","7.148","0.003","27.263","0.005","90","","96.14","0.03","90","","2418.8","1.8","291","2","291","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","2-phenyl-pyrido[1,2-a][1,2,4]-triazol-3-ylidene-silver(I) hexafluorophosphate","","","- C24 H18 Ag F6 N6 P -","- C24 H18 Ag F6 N6 P -","- C96 H72 Ag4 F24 N24 P4 -","4","1","","Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You","Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis","Journal of Organic Chemistry","2008","73","","8256","8264","10.1021/jo801349d","","","0.71073","MoKα","","0.1123","0.0563","","","0.1541","0.1791","","","","","","1.087","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023794","15.406","0.002","30.106","0.003","21.455","0.002","90","","100.943","0.008","90","","9770.2","1.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H120 N22 O35 -","- C86 H106 N22 O37 -","- C344 H424 N88 O148 -","4","1","","Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Borri; Andrea Danesi; Enrique García-España; Claudia Giorgi; Barbara Valtancoli","Polyfunctional Recognition of Pyridinedicarboxylate Anions with Macrocyclic Polyamine Receptors Containing Heteroaromatic Groups","Journal of Organic Chemistry","2008","73","","8286","8295","10.1021/jo801366w","","","1.5418","CuKα","","0.2429","0.0808","","","0.1911","0.2533","","","","","","0.795","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023795","8.7804","0.0002","11.7723","0.0003","15.3624","0.0004","93.015","0.002","105.207","0.002","109.414","0.001","1428.06","0.06","566","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H38 N8 O5 -","- C27 H38 N8 O5 -","- C54 H76 N16 O10 -","2","1","","Arnaud Salaün; Clémence Mocquet; Romain Perochon; Aurélien Lecorgne; Barbara Le Grel; Michel Potel; Philippe Le Grel","Aza-β^3^-cyclotetrapeptides","Journal of Organic Chemistry","2008","73","","8579","8582","10.1021/jo8013963","","","0.71073","MoKα","","0.0754","0.0439","","","0.1124","0.1266","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023796","19.2135","0.0002","13.729","0.0001","24.881","0.0003","90","","91.497","0.001","90","","6560.92","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 N10 O4 -","- C34 H38 N10 O4 -","- C272 H304 N80 O32 -","8","2","","Arnaud Salaün; Clémence Mocquet; Romain Perochon; Aurélien Lecorgne; Barbara Le Grel; Michel Potel; Philippe Le Grel","Aza-β^3^-cyclotetrapeptides","Journal of Organic Chemistry","2008","73","","8579","8582","10.1021/jo8013963","","x-ray","0.71073","MoKα","","0.1192","0.0648","","","0.1748","0.213","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023797","8.792","0.0002","11.737","0.0003","15.244","0.0006","92.443","0.002","105.69","0.002","109.49","0.002","1412.28","0.07","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C26 H37 N9 O5 -","- C26 H37 N9 O5 -","- C52 H74 N18 O10 -","2","1","","Arnaud Salaün; Clémence Mocquet; Romain Perochon; Aurélien Lecorgne; Barbara Le Grel; Michel Potel; Philippe Le Grel","Aza-β^3^-cyclotetrapeptides","Journal of Organic Chemistry","2008","73","","8579","8582","10.1021/jo8013963","","x-ray","0.71069","MoKα","","0.0908","0.0524","","","0.1434","0.1716","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023798","10.4776","0.0003","9.7596","0.0003","15.2755","0.0007","90","0.005","100.328","0.001","90","","1536.72","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N3 O3 -","- C14 H21 N3 O3 -","- C56 H84 N12 O12 -","4","1","","Arnaud Salaün; Clémence Mocquet; Romain Perochon; Aurélien Lecorgne; Barbara Le Grel; Michel Potel; Philippe Le Grel","Aza-β^3^-cyclotetrapeptides","Journal of Organic Chemistry","2008","73","","8579","8582","10.1021/jo8013963","","","0.71069","MoKα","","0.107","0.052","","","0.134","0.1627","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023799","14.8312","0.0006","5.7747","0.0003","17.3257","0.0009","90","","106.398","0.002","90","","1423.51","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N3 O3 -","- C13 H19 N3 O3 -","- C52 H76 N12 O12 -","4","1","","Arnaud Salaün; Clémence Mocquet; Romain Perochon; Aurélien Lecorgne; Barbara Le Grel; Michel Potel; Philippe Le Grel","Aza-β^3^-cyclotetrapeptides","Journal of Organic Chemistry","2008","73","","8579","8582","10.1021/jo8013963","","","0.71069","MoKα","","0.0797","0.0596","","","0.147","0.1641","","","","","","1.086","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023800","7.4814","0.0002","11.3273","0.0003","11.7221","0.0003","90","","97.0036","0.0011","90","","985.97","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Chloro-biphenyl-2,5-diol","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C48 H36 Cl4 O8 -","4","1","","Yang Song; Garry R. Buettner; Sean Parkin; Brett A. Wagner; Larry W. Robertson; Hans-Joachim Lehmler","Chlorination Increases the Persistence of Semiquinone Free Radicals Derived from Polychlorinated Biphenyl Hydroquinones and Quinones","Journal of Organic Chemistry","2008","73","","8296","8304","10.1021/jo801397g","","","0.71073","MoKα","","0.0504","0.036","","","0.0901","0.0971","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023801","8.10327","0.0001","9.2723","0.0002","12.0905","0.0002","85.8672","0.0008","75.3724","0.0008","81.0843","0.0008","867.85","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","2-Bromo-3,6-dichloro-4-methoxy-phenol","","- C7 H5 Br Cl2 O2 -","- C7 H5 Br Cl2 O2 -","- C28 H20 Br4 Cl8 O8 -","4","2","","Yang Song; Garry R. Buettner; Sean Parkin; Brett A. Wagner; Larry W. Robertson; Hans-Joachim Lehmler","Chlorination Increases the Persistence of Semiquinone Free Radicals Derived from Polychlorinated Biphenyl Hydroquinones and Quinones","Journal of Organic Chemistry","2008","73","","8296","8304","10.1021/jo801397g","","","0.71073","MoKα","","0.0323","0.0237","","","0.0495","0.0518","","","","","","1.045","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023802","9.2876","0.0004","9.0426","0.0004","13.8328","0.0007","90","","98.896","0.002","90","","1147.76","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6,4'-Trichloro-biphenyl-2,5-diol","","- C12 H7 Cl3 O2 -","- C12 H7 Cl3 O2 -","- C48 H28 Cl12 O8 -","4","1","","Yang Song; Garry R. Buettner; Sean Parkin; Brett A. Wagner; Larry W. Robertson; Hans-Joachim Lehmler","Chlorination Increases the Persistence of Semiquinone Free Radicals Derived from Polychlorinated Biphenyl Hydroquinones and Quinones","Journal of Organic Chemistry","2008","73","","8296","8304","10.1021/jo801397g","","","1.54178","CuKα","","0.0266","0.0252","","","0.0686","0.0703","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023803","8.3461","0.0007","18.8665","0.0017","23.936","0.002","90","","90","","90","","3769","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C200 H168 N8 O24 -","8","2","","Amit A. Kudale; Jamie Kendall; David O. Miller; Julie L. Collins; Graham J. Bodwell","Povarov Reactions Involving 3-Aminocoumarins: Synthesis of 1,2,3,4-Tetrahydropyrido[2,3-c]coumarins and Pyrido[2,3-c]coumarins","Journal of Organic Chemistry","2008","73","","8437","8447","10.1021/jo801411p","","","0.7107","MoKα","","0.0596","0.0588","","","0.1344","0.1349","","","","","","1.268","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023804","9.417","0.002","19.4","0.002","10.492","0.003","90","","106.52","0.02","90","","1837.7","0.6","299.2","","299.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Amit A. Kudale; Jamie Kendall; David O. Miller; Julie L. Collins; Graham J. Bodwell","Povarov Reactions Involving 3-Aminocoumarins: Synthesis of 1,2,3,4-Tetrahydropyrido[2,3-c]coumarins and Pyrido[2,3-c]coumarins","Journal of Organic Chemistry","2008","73","","8437","8447","10.1021/jo801411p","","","0.7107","MoKα","","0.1479","0.079","","0.088","","0.084","","","2.626","","","3.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023805","19.5875","0.0016","5.0527","0.0004","18.8532","0.0015","90","","100.997","0.002","90","","1831.6","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Amit A. Kudale; Jamie Kendall; David O. Miller; Julie L. Collins; Graham J. Bodwell","Povarov Reactions Involving 3-Aminocoumarins: Synthesis of 1,2,3,4-Tetrahydropyrido[2,3-c]coumarins and Pyrido[2,3-c]coumarins","Journal of Organic Chemistry","2008","73","","8437","8447","10.1021/jo801411p","","","0.71073","MoKα","","0.0836","0.0525","","","0.1233","0.1421","","","","","","1.028","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023806","11.3255","0.0006","8.1275","0.0004","10.9806","0.0005","90","","100.383","0.003","90","","994.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O5 P -","- C9 H13 O5 P -","- C36 H52 O20 P4 -","4","1","","Saibal Bandyopadhyay; Supratik Dutta; Christopher D. Spilling; Cynthia M. Dupureur; Nigam P. Rath","Synthesis and Biological Evaluation of a Phosphonate Analog of the Natural Acetyl Cholinesterase Inhibitor Cyclophostin","Journal of Organic Chemistry","2008","73","","8386","8391","10.1021/jo801453v","","","0.71073","MoKα","","0.0402","0.033","","","0.0836","0.0874","","","","","","1.069","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023807","6.1635","0.0007","10.3337","0.0011","23.006","0.003","90","","97.226","0.001","90","","1453.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","2","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0643","0.0424","","","0.1008","0.1183","","","","","","0.958","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023808","6.5507","0.001","26.882","0.004","9.8409","0.0014","90","","106.953","0.002","90","","1657.6","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O2 -","- C17 H28 N2 O2 -","- C68 H112 N8 O8 -","4","2","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0423","0.0365","","","0.0857","0.09","","","","","","0.88","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023809","5.859","0.0004","14.2547","0.0009","33.866","0.002","90","","90","","90","","2828.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C112 H192 N16 O16 -","8","2","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0493","0.0401","","","0.1033","0.1098","","","","","","1.099","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023810","5.9075","0.0005","16.5865","0.0015","16.6873","0.0015","90","","90","","90","","1635.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O2 -","- C17 H28 N2 O2 -","- C68 H112 N8 O8 -","4","1","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0549","0.0334","","","0.0633","0.0681","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023811","4.8667","0.0006","11.706","0.001","12.471","0.002","108.51","0.01","94.1","0.01","95.96","0.01","666","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C34 H26 N2 O6 -","2","1","","Elizabeth Malamidou-Xenikaki; Spyros Spyroudis; Maria Tsanakopoulou; Harald Krautscheid","Enamino Derivatives of 1,3-Dioxoindane-2-carboxylic Acid","Journal of Organic Chemistry","2008","73","","8392","8397","10.1021/jo8014903","","","0.71073","MoKα","","0.0519","0.0438","","","0.1252","0.1299","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023812","4.4303","0.0009","10.037","0.002","14.798","0.003","87.946","0.004","87.265","0.004","79.808","0.003","646.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C28 H24 Cl4 O4 -","2","1","","Xiang-Ying Tang; Min Shi","Vilsmeier-Haack Reaction of 1-Cyclopropyl-2-arylethanones","Journal of Organic Chemistry","2008","73","","8317","8320","10.1021/jo801492k","","","0.71073","MoKα","","0.0515","0.0449","","","0.1207","0.1251","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023813","10.1383","0.0003","10.6645","0.0003","13.7231","0.0004","103.188","0.001","105.735","0.001","98.593","0.001","1354.67","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cl2 N2 O2 -","- C31 H26 Cl2 N2 O2 -","- C62 H52 Cl4 N4 O4 -","2","1","","Abu T. Khan; Tasneem Parvin; Lokman H. Choudhury","Effects of Substituents in the β-Position of 1,3-Dicarbonyl Compounds in Bromodimethylsulfonium Bromide-Catalyzed Multicomponent Reactions: A Facile Access to Functionalized Piperidines","Journal of Organic Chemistry","2008","73","","8398","8402","10.1021/jo8014962","","","0.71073","MoKα","","0.065","0.0459","","","0.1272","0.1395","","","","","","1.066","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023814","9.7957","0.0003","11.0139","0.0004","13.933","0.0006","106.19","0.003","108.639","0.003","99.894","0.002","1310.44","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C64 H60 N4 O4 -","2","1","","Abu T. Khan; Tasneem Parvin; Lokman H. Choudhury","Effects of Substituents in the β-Position of 1,3-Dicarbonyl Compounds in Bromodimethylsulfonium Bromide-Catalyzed Multicomponent Reactions: A Facile Access to Functionalized Piperidines","Journal of Organic Chemistry","2008","73","","8398","8402","10.1021/jo8014962","","","0.71073","MoKα","","0.0917","0.0497","","","0.1438","0.1701","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023815","5.732","0.0002","20.62","0.0008","13.859","0.0006","90","","90.383","0.002","90","","1638.01","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Diego Sampedro; Alberto Soldevilla; Pedro J. Campos; Roberto Ruiz; Miguel A. Rodríguez","Regio- and Stereochemistry of [2 + 2] Photocycloadditions of Imines to Alkenes: A Computational and Experimental Study","Journal of Organic Chemistry","2008","73","","8331","8336","10.1021/jo8015242","","","0.71073","MoKα","","0.0992","0.0647","","","0.164","0.1965","","","","","","1.103","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023816","8.211","0.0008","11.857","0.001","13.609","0.0012","90","","107.48","0.03","90","","1263.8","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","phenyl 4-chloro-2-nitrobenzoate","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C52 H32 Cl4 N4 O16 -","4","1","","Stefania Butini; Emanuele Gabellieri; Paul Brady Huleatt; Giuseppe Campiani; Silvia Franceschini; Margherita Brindisi; Sindu Ros; Salvatore Sanna Coccone; Isabella Fiorini; Ettore Novellino; Gianluca Giorgi; Sandra Gemma","An Efficient Approach to Chiral C8/C9-Piperazino-Substituted 1,4-Benzodiazepin-2-ones as Peptidomimetic Scaffolds","Journal of Organic Chemistry","2008","73","","8458","8468","10.1021/jo8015456","","","0.71073","MoKα","","0.0299","0.0264","","","0.0608","0.0629","","","","","","1.065","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023817","8.9372","0.0001","11.1284","0.0002","21.1731","0.0003","90","","90","","90","","2105.81","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17.88 Br2.12 N2 O4 -","- C20 H17.88 Br2.12 N2 O4 -","- C80 H71.52 Br8.48 N8 O16 -","4","1","","Xiaojun Han; Rita L. Civiello; Haiquang Fang; Dedong Wu; Qi Gao; Prasad V. Chaturvedula; John E. Macor; Gene M. Dubowchik","Catalytic Asymmetric Syntheses of Tyrosine Surrogates","Journal of Organic Chemistry","2008","73","","8502","8510","10.1021/jo801577t","","","1.54178","CuKα","","0.0383","0.0367","","","0.097","0.0978","","","","","","1.099","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023818","10.1086","0.001","21.657","0.002","9.2441","0.001","90","","102.323","0.002","90","","1977.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N O2 S -","- C20 H22 F N O2 S -","- C80 H88 F4 N4 O8 S4 -","4","1","","Xiao-Chun Hang; Qing-Yun Chen; Ji-Chang Xiao","Ring-Opening Reactions of Difluoro(methylene)cyclopropanes with Halogens and Amines","Journal of Organic Chemistry","2008","73","","8598","8600","10.1021/jo801610t","","","0.71073","MoKα","","0.0711","0.0539","","","0.145","0.1547","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023819","7.923","0.006","8.614","0.007","13.87","0.015","98.94","0.04","100.46","0.04","94.32","0.03","914.3","1.4","296.1","","","","","","","","","","","3","P -1","-P 1","2","","2-[trans-4-(2,4,5-tricyanophenyl)-1,1,4-trimethylpent-2-enyl]propanedinitrile","","- C20 H17 N5 -","- C20 H17 N5 -","- C40 H34 N10 -","2","1","","Maki Ohashi; Keisuke Nakatani; Hajime Maeda; Kazuhiko Mizuno","Photoinduced Tandem Three-Component Coupling of Propanedinitrile, 2,5-Dimethylhexa-2,4-diene, and Cyanoarenes","Journal of Organic Chemistry","2008","73","","8348","8351","10.1021/jo801624q","","x-ray","0.71075","MoKα","","","0.1031","","","","0.1023","","","","","","1.227","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023820","10.577","0.009","12.475","0.01","7.715","0.006","90","","90","","90","","1018","1.4","273","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2,3-bis(bromomethyl)thieno[3,4-b]pyrazine","2,3-bis(bromomethyl)thieno[3,4-b]pyrazine","","- C8 H6 Br2 N2 S -","- C8 H6 Br2 N2 S -","- C32 H24 Br8 N8 S4 -","4","1","","Li Wen; Jon P. Nietfeld; Chad M. Amb; Seth C. Rasmussen","Synthesis and Characterization of New 2,3-Disubstituted Thieno[3,4-b]pyrazines: Tunable Building Blocks for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2008","73","","8529","8536","10.1021/jo801632z","","","0.71073","MoKα","","0.0416","0.0345","","","0.0872","0.092","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023821","8.0604","0.0003","8.3944","0.0003","16.6281","0.0008","97.111","0.002","92.414","0.001","112.811","0.002","1024.12","0.07","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","3-Benzenesulfonyl-7-methyl-1-phenyl-2a,3,4,4a,5,7b- hexahydro-1H-1,3-diaza-cyclobut[e]indene-2,6-dione","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C46 H44 N4 O8 S2 -","2","1","","Clarisse Olier; Nadia Azzi; Gérard Gil; Stéphane Gastaldi; Michèle P. Bertrand","Dicobalt Hexacarbonyl Complexes of Alkynyl Imines in a Sequential Staudinger/Pauson-Khand Process. A Route to New Fused Tricyclic β-Lactams","Journal of Organic Chemistry","2008","73","","8469","8473","10.1021/jo801668b","","x-ray","0.71073","MoKα","","0.0984","0.0551","","","0.1603","0.2121","","","","","","1.152","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023822","8.8864","0.0001","16.4396","0.0002","19.687","0.0003","90","","116.558","0.0005","90","","2572.57","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Benzenesulfonyl-5-methyl-6-oxo-2,3,4,6,7,7a- hexahydro-1H-2-pyrindine-3-carboxylic acid phenylamide","","- C24 H25 Cl3 N2 O4 S -","- C24 H25 Cl3 N2 O4 S -","- C96 H100 Cl12 N8 O16 S4 -","4","1","","Clarisse Olier; Nadia Azzi; Gérard Gil; Stéphane Gastaldi; Michèle P. Bertrand","Dicobalt Hexacarbonyl Complexes of Alkynyl Imines in a Sequential Staudinger/Pauson-Khand Process. A Route to New Fused Tricyclic β-Lactams","Journal of Organic Chemistry","2008","73","","8469","8473","10.1021/jo801668b","","","0.71073","MoKα","","0.078","0.0632","","","0.1978","0.2185","","","","","","1.114","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023823","39.435","0.005","15.399","0.002","15.384","0.002","90","","99.734","0.003","90","","9208","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br N O3 S -","- C26 H24 Br N O3 S -","- C416 H384 Br16 N16 O48 S16 -","16","4","","Ling-Guo Meng; Peijie Cai; Qingxiang Guo; Song Xue","Cycloaddition of Alkynyl Ketones with N-Tosylimines Catalyzed by Bu~3~P and DMAP: Synthesis of Highly Functionalized Pyrrolidines and Azetidines","Journal of Organic Chemistry","2008","73","","8491","8496","10.1021/jo801687v","","","0.7107","MoKα","","0.1057","0.0663","","","0.1228","0.1362","","","","","","1.102","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4023824","13.117","0.005","18.601","0.005","11.063","0.005","90","0.005","106.678","0.005","90","0.005","2585.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C104 H92 Br4 N8 O20 S4 -","4","1","","Ling-Guo Meng; Peijie Cai; Qingxiang Guo; Song Xue","Cycloaddition of Alkynyl Ketones with N-Tosylimines Catalyzed by Bu~3~P and DMAP: Synthesis of Highly Functionalized Pyrrolidines and Azetidines","Journal of Organic Chemistry","2008","73","","8491","8496","10.1021/jo801687v","","","1.54184","CuKα","","0.0622","0.0447","","","0.1147","0.1286","","","","","","1","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023825","9.9977","0.0007","13.4422","0.0009","23.961","0.0014","90","","90","","90","","3220.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N O8 S2 -","- C32 H43 N O8 S2 -","- C128 H172 N4 O32 S8 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gema González; Cristina Fajardo","Pyrrolo[2,1-b]thiazole Derivatives by Asymmetric 1,3-Dipolar Reactions of Thiazolium Azomethine Ylides to Activated Vinyl Sulfoxides","Journal of Organic Chemistry","2008","73","","8484","8490","10.1021/jo801705d","","","1.54178","CuKα","","0.0563","0.0427","","","0.0988","0.1054","","","","","","1.05","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023826","9.0115","0.0006","15.2705","0.001","10.4125","0.0007","90","","106.952","0.001","90","","1370.61","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Yvonne Kavanagh; Cíara M. Chaney; Jimmy Muldoon; Paul Evans","Iridium-Mediated Isomerization-Cyclization of Bicyclic Pauson-Khand Derived Allylic Alcohols","Journal of Organic Chemistry","2008","73","","8601","8604","10.1021/jo8017439","","","0.71073","MoKα","","0.0489","0.0445","","","0.1128","0.1158","","","","","","1.098","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023827","12.6923","0.0012","7.6668","0.0008","16.0441","0.0016","90","","110.12","0.002","90","","1466","0.3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Jhih-Meng Tang; Ting-An Liu; Rai-Shung Liu","Gold-Catalyzed Hydrative Carbocyclization of 1,5- and 1,6-Diyn-3-ones via an Oxygen Transfer Process","Journal of Organic Chemistry","2008","73","","8479","8483","10.1021/jo801753g","","","0.71073","MoKα","","0.0991","0.0836","","","0.1712","0.1771","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023828","8.36","0.03","13.64","0.06","20.85","0.1","101.61","0.15","95.4","0.2","94.3","0.2","2307","17","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 B O4 -","- C29 H25 B O4 -","- C116 H100 B4 O16 -","4","2","","Atsushi Nagai; Kenta Kokado; Yuuya Nagata; Manabu Arita; Yoshiki Chujo","Highly Intense Fluorescent Diarylboron Diketonate","Journal of Organic Chemistry","2008","73","","8605","8607","10.1021/jo8017582","","","0.71075","MoKα","","0.167","0.0593","","","0.115","0.1394","","","","","","0.851","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023829","19.8126","0.0018","10.6735","0.001","25.2963","0.0017","90","","106.387","0.004","90","","5132.1","0.8","109","2","109","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 B F10 O4 -","- C29 H15 B F10 O4 -","- C232 H120 B8 F80 O32 -","8","2","","Atsushi Nagai; Kenta Kokado; Yuuya Nagata; Manabu Arita; Yoshiki Chujo","Highly Intense Fluorescent Diarylboron Diketonate","Journal of Organic Chemistry","2008","73","","8605","8607","10.1021/jo8017582","","","0.71075","MoKα","","0.1237","0.0496","","","0.0641","0.0753","","","","","","0.956","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023830","10.885","0.002","9.4701","0.0019","12.124","0.002","90","","114.36","0.03","90","","1138.5","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N3 O3 -","- C23 H33 N3 O3 -","- C46 H66 N6 O6 -","2","1","","Xue-Li Geng; Jia Wang; Guo-Xing Li; Peng Chen; Shu-Fang Tian; Jin Qu","Kinetic Resolution of Racemic Alcohols Using Thioamide Modified 1-Methyl-histidine Methyl Ester","Journal of Organic Chemistry","2008","73","","8558","8562","10.1021/jo801859m","","","0.71073","MoKα","","0.0671","0.0533","","","0.1355","0.1556","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023831","22.551","0.01","8.405","0.003","15.485","0.007","90","","93.528","0.008","90","","2929","2","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H33 Cl4 N3 O2 S -","- C24 H33 Cl4 N3 O2 S -","- C96 H132 Cl16 N12 O8 S4 -","4","1","","Xue-Li Geng; Jia Wang; Guo-Xing Li; Peng Chen; Shu-Fang Tian; Jin Qu","Kinetic Resolution of Racemic Alcohols Using Thioamide Modified 1-Methyl-histidine Methyl Ester","Journal of Organic Chemistry","2008","73","","8558","8562","10.1021/jo801859m","","","0.7107","MoKα","","0.0989","0.0791","","","0.2095","0.2272","","","","","","1.078","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023832","12.9727","0.0015","8.4486","0.001","16.2114","0.0019","90","","94.171","0.003","90","","1772.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 Ni O5 -","- C39 H40 N4 Ni O5 -","- C78 H80 N8 Ni2 O10 -","2","1","","Jiang Wang; Ting Shi; Guanghui Deng; Hualiang Jiang; Hong Liu","Highly Enantio- and Diastereoselective Mannich Reactions of Chiral Ni(II) Glycinates with Amino Sulfones. Efficient Asymmetric Synthesis of Aromatic α,β-Diamino Acids","Journal of Organic Chemistry","2008","73","","8563","8570","10.1021/jo8019169","","","0.71073","MoKα","","0.1134","0.0825","","","0.1926","0.2291","","","","","","0.945","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023833","12.9478","0.0016","8.4269","0.0011","16.178","0.002","90","","94.156","0.003","90","","1760.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H40 N4 Ni O5 -","- C39 H40 N4 Ni O5 -","- C78 H80 N8 Ni2 O10 -","2","1","","Jiang Wang; Ting Shi; Guanghui Deng; Hualiang Jiang; Hong Liu","Highly Enantio- and Diastereoselective Mannich Reactions of Chiral Ni(II) Glycinates with Amino Sulfones. Efficient Asymmetric Synthesis of Aromatic α,β-Diamino Acids","Journal of Organic Chemistry","2008","73","","8563","8570","10.1021/jo8019169","","","0.71073","MoKα","","0.0949","0.0615","","","0.1133","0.128","","","","","","0.869","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023834","16.2161","0.001","16.39","0.0005","17.0351","0.001","90","","90","","90","","4527.6","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C208 H208 N16 O16 S8 -","8","2","","Mark E. Scott; Mark Lautens","Synthesis of Highly Functionalized Pyrrolidines via a Selective Iodide-Mediated Ring Expansion of Methylenecyclopropyl Amides","Journal of Organic Chemistry","2008","73","","8154","8162","10.1021/jo802049u","","","0.71073","MoKα","","0.1673","0.0642","","","0.1082","0.1397","","","","","","0.967","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023835","9.131","0.0003","10.019","0.0002","28.277","0.0007","90","","90","","90","","2586.88","0.12","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 N2 O2 S -","- C31 H28 N2 O2 S -","- C124 H112 N8 O8 S4 -","4","1","","Mark E. Scott; Mark Lautens","Synthesis of Highly Functionalized Pyrrolidines via a Selective Iodide-Mediated Ring Expansion of Methylenecyclopropyl Amides","Journal of Organic Chemistry","2008","73","","8154","8162","10.1021/jo802049u","","","0.71073","MoKα","","0.0542","0.0396","","","0.0885","0.0961","","","","","","1.021","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023836","10.848","0.0003","11.075","0.0002","44.85","0.0015","90","","90","","90","","5388.4","0.3","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O3 S -","- C32 H30 N2 O3 S -","- C256 H240 N16 O24 S8 -","8","2","","Mark E. Scott; Mark Lautens","Synthesis of Highly Functionalized Pyrrolidines via a Selective Iodide-Mediated Ring Expansion of Methylenecyclopropyl Amides","Journal of Organic Chemistry","2008","73","","8154","8162","10.1021/jo802049u","","","0.71073","MoKα","","0.0604","0.0441","","","0.0983","0.108","","","","","","1.014","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023837","10.2207","0.0013","15.0552","0.0019","16.326","0.002","72.802","0.002","72.958","0.002","73.405","0.001","2239.4","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H29 N O5 S -","- C23 H29 N O5 S -","- C92 H116 N4 O20 S4 -","4","4","","Kimberly N. White; Taro Amagata; Allen G. Oliver; Karen Tenney; Philip J. Wenzel; Phillip Crews","Structure Revision of Spiroleucettadine, a Sponge Alkaloid with a Bicyclic Core Meager in H-Atoms","Journal of Organic Chemistry","2008","73","","8719","8722","10.1021/jo800960w","","","0.71073","MoKα","","0.078","0.058","","","0.1288","0.1385","","","","","","1.07","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023838","4.7057","0.0006","5.5719","0.0007","20.726","0.003","88.634","0.008","85.795","0.009","76.963","0.008","527.97","0.11","90","0.2","90","0.2","","","","","","","","3","P 1","P 1","1","","","","- C22 H38 O6 -","- C22 H38 O6 -","- C22 H38 O6 -","1","1","","Joseph J. Bozell; Nathan C. Tice; Nibedita Sanyal; David Thompson; Jong-Mok Kim; Sébastien Vidal","Synthesis and Self-Assembly of Glycal-Based Bolaforms","Journal of Organic Chemistry","2008","73","","8763","8771","10.1021/jo801341g","","","1.54178","CuKα","","0.0962","0.0741","","","0.1682","0.1778","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023839","4.7947","0.0003","10.1459","0.0008","44.872","0.003","90","","90","","90","","2182.9","0.3","90","0.2","90","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O6 -","- C22 H38 O6 -","- C88 H152 O24 -","4","1","","Joseph J. Bozell; Nathan C. Tice; Nibedita Sanyal; David Thompson; Jong-Mok Kim; Sébastien Vidal","Synthesis and Self-Assembly of Glycal-Based Bolaforms","Journal of Organic Chemistry","2008","73","","8763","8771","10.1021/jo801341g","","","1.54178","CuKα","","0.0873","0.0755","","","0.1695","0.1754","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023840","10.6091","0.0002","10.6091","0.0002","39.7099","0.0014","90","","90","","90","","4469.47","0.2","153.1","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C30 H34 -","- C30 H34 -","- C240 H272 -","8","1","","Atsuya Muranaka; Masahiko Shibahara; Motonori Watanabe; Taisuke Matsumoto; Teruo Shinmyozu; Nagao Kobayashi","Optical Resolution, Absolute Configuration, and Chiroptical Properties of Three-Layered [3.3]Paracyclophane","Journal of Organic Chemistry","2008","73","","9125","9128","10.1021/jo801441h","","","0.7107","MoKα","","","0.0351","","","","0.0692","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023841","13.3412","0.0013","8.657","0.003","14.001","0.006","90","","102.904","0.006","90","","1576.3","0.9","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","2","","Ziyad F. Al-Rashid; Whitney L. Johnson; Richard P. Hsung; Yonggang Wei; Pei-Yuan Yao; Renhei Liu; Kang Zhao","Synthesis of α-Keto-Imides via Oxidation of Ynamides","Journal of Organic Chemistry","2008","73","","8780","8784","10.1021/jo8015067","","","0.7107","MoKα","","0.0956","0.0472","","","0.1031","0.1338","","","","","","0.799","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023842","11.016","0.002","11.313","0.002","11.875","0.002","68.72","0.03","79.94","0.03","79.9","0.03","1347.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H60 N2 O6 -","- C68 H60 N2 O6 -","- C68 H60 N2 O6 -","1","0.5","","Zixing Shan; Ying Xiong; Jing Yi; Xiaoyun Hu","Heterocomplexation of a Chiral Dipeptide and Quantitative Enantiomeric Enrichment of Nonracemic 1,1'-Bi-2-naphthol","Journal of Organic Chemistry","2008","73","","9158","9160","10.1021/jo801547j","","","0.71073","MoKα","","0.1011","0.0576","","","0.1411","0.1559","","","","","","1.021","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023843","14.254","0.002","15.314","0.002","17.471","0.002","82.656","0.001","84.973","0.001","70.402","0.001","3559","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41.5 H43.5 N4 O6 -","- C40 H40 N4 O6 -","- C160 H160 N16 O24 -","4","2","","Gudrun Goretzki; E. Stephen Davies; Stephen P. Argent; Wassim Z. Alsindi; Alexander J. Blake; John E. Warren; Jonathan McMaster; Neil R. Champness","Bis-morpholine-Substituted Perylene Bisimides: Impact of Isomeric Arrangement on Electrochemical and Spectroelectrochemical Properties","Journal of Organic Chemistry","2008","73","","8808","8814","10.1021/jo801557e","","","0.6911","synchrotron","","0.1438","0.0709","","","0.1759","0.2034","","","","","","0.883","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023844","6.0231","0.0008","18.026","0.003","18.643","0.003","90","","90","","90","","2024.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C80 H104 Cl8 O16 -","8","2","","Xin Cheng; Xuefeng Jiang; Yihua Yu; Shengming Ma","Efficient Synthesis of 3-Chloromethyl-2(5H)-furanones and 3-Chloromethyl- 5,6-dihydropyran-2-ones via the PdCl~2~-Catalyzed Chlorocyclocarbonylation of 2,3- or 3,4-Allenols","Journal of Organic Chemistry","2008","73","","8960","8965","10.1021/jo8015677","","","0.71073","MoKα","","0.0747","0.05","","","0.1102","0.1164","","","","","","0.865","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023845","9.9786","0.0007","9.4279","0.0006","13.7572","0.0009","90","","95.626","0.001","90","","1288.01","0.15","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Myra Beaudoin Bertrand; Joshua D. Neukom; John P. Wolfe","Mild Conditions for Pd-Catalyzed Carboamination of N-Protected Hex-4-enylamines and 1-, 3-, and 4-Substituted Pent-4-enylamines. Scope, Limitations, and Mechanism of Pyrrolidine Formation","Journal of Organic Chemistry","2008","73","","8851","8860","10.1021/jo801631v","","","0.71073","MoKα","","0.0432","0.0403","","","0.1084","0.1116","","","","","","1.039","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023846","6.1258","0.0003","35.4226","0.0017","13.6162","0.0007","90","","95.816","0.0019","90","","2939.4","0.3","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 N6 O7.5 -","- C27 H40 N6 O7.5 -","- C108 H160 N24 O30 -","4","1","","Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga","Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts","Journal of Organic Chemistry","2008","73","","8683","8693","10.1021/jo801657a","","","0.71075","MoKα","","","0.063","","","","0.1821","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023847","11.0929","0.0004","13.9282","0.0005","20.9843","0.0006","90","","103.076","0.001","90","","3158.1","0.18","130.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 B N4 O2 -","- C37 H42 B N4 O2 -","- C148 H168 B4 N16 O8 -","4","1","","Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga","Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts","Journal of Organic Chemistry","2008","73","","8683","8693","10.1021/jo801657a","","","0.71075","MoKα","","","0.0539","","","","0.1345","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023848","8.1985","0.0003","9.3294","0.0004","21.0272","0.0006","90","","102.213","0.0009","90","","1571.91","0.09","138.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Br N4 O2 -","- C13 H22 Br N4 O2 -","- C52 H88 Br4 N16 O8 -","4","1","","Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga","Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts","Journal of Organic Chemistry","2008","73","","8683","8693","10.1021/jo801657a","","","0.71075","MoKα","","","0.0358","","","","0.0946","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023849","8.329","0.007","9.432","0.009","21.42","0.02","90","","101.58","0.04","90","","1649","3","123.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 I N4 O2 -","- C13 H22 I N4 O2 -","- C52 H88 I4 N16 O8 -","4","1","","Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga","Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts","Journal of Organic Chemistry","2008","73","","8683","8693","10.1021/jo801657a","","","0.71075","MoKα","","","0.0299","","","","0.0789","","","","","","0.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023850","10.041","0.003","10.534","0.004","12.18","0.004","67.59","0.009","80.391","0.007","85.956","0.009","1174.3","0.7","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H22 F6 N5 O6 S2 -","- C15 H22 F6 N5 O6 S2 -","- C30 H44 F12 N10 O12 S4 -","2","1","","Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga","Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts","Journal of Organic Chemistry","2008","73","","8683","8693","10.1021/jo801657a","","","0.71075","MoKα","","","0.0483","","","","0.1431","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023851","8.3259","0.0005","10.4511","0.0007","12.6849","0.0009","69.555","0.0019","75.305","0.0018","77.658","0.0016","990.83","0.12","133.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H56 N8 O12 -","- C34 H56 N8 O12 -","- C34 H56 N8 O12 -","1","0.5","","Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga","Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts","Journal of Organic Chemistry","2008","73","","8683","8693","10.1021/jo801657a","","","0.71075","MoKα","","","0.065","","","","0.2258","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023852","16.875","0.005","20.251","0.005","20.322","0.005","59.287","0.005","85.537","0.005","79.624","0.005","5872","3","133.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H69 N12 O22 -","- C48 H69 N12 O22 -","- C192 H276 N48 O88 -","4","2","","Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga","Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts","Journal of Organic Chemistry","2008","73","","8683","8693","10.1021/jo801657a","","","0.71069","MoKα","","","0.0728","","","","0.2314","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023853","10.9455","0.0002","12.2976","0.0002","12.485","0.0002","102.934","0.001","104.718","0.001","101.336","0.001","1525.82","0.04","120","2","120","2","","","","","","","Jose Giner Planas","4","P -1","-P 1","2","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","2","","Vincent Terrasson; José G. Planas; Damien Prim; Clara Viñas; Francesc Teixidor; Mark E. Light; Michael B. Hursthouse","Cooperative Effect of Carborane and Pyridine in the Reaction of Carboranyl Alcohols with Thionyl Chloride: Halogenation versus Oxidation","Journal of Organic Chemistry","2008","73","","9140","9143","10.1021/jo801672f","","","0.71073","MoKα","","0.0672","0.0583","","","0.1404","0.1472","","","","","","1.041","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023854","24.9137","0.0008","7.2538","0.0002","20.2478","0.0006","90","","126.423","0.002","90","","2944.36","0.15","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Vincent Terrasson; José G. Planas; Damien Prim; Clara Viñas; Francesc Teixidor; Mark E. Light; Michael B. Hursthouse","Cooperative Effect of Carborane and Pyridine in the Reaction of Carboranyl Alcohols with Thionyl Chloride: Halogenation versus Oxidation","Journal of Organic Chemistry","2008","73","","9140","9143","10.1021/jo801672f","","","0.71073","MoKα","","0.0901","0.0774","","","0.1822","0.1948","","","","","","1.13","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023855","9.9573","0.0002","11.4293","0.0002","13.4628","0.0003","90","","90","","90","","1532.13","0.05","120","2","120","2","","","","","","","Jose Giner Planas","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B10 Cl -","- C10 H19 B10 Cl -","- C40 H76 B40 Cl4 -","4","1","","Vincent Terrasson; José G. Planas; Damien Prim; Clara Viñas; Francesc Teixidor; Mark E. Light; Michael B. Hursthouse","Cooperative Effect of Carborane and Pyridine in the Reaction of Carboranyl Alcohols with Thionyl Chloride: Halogenation versus Oxidation","Journal of Organic Chemistry","2008","73","","9140","9143","10.1021/jo801672f","","","0.71073","MoKα","","0.0514","0.0423","","","0.1043","0.1089","","","","","","1.049","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023856","9.6062","0.0002","9.7769","0.0003","15.5918","0.0004","90","","100.493","0.002","90","","1439.88","0.06","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 B10 N O -","- C9 H17 B10 N O -","- C36 H68 B40 N4 O4 -","4","1","","Vincent Terrasson; José G. Planas; Damien Prim; Clara Viñas; Francesc Teixidor; Mark E. Light; Michael B. Hursthouse","Cooperative Effect of Carborane and Pyridine in the Reaction of Carboranyl Alcohols with Thionyl Chloride: Halogenation versus Oxidation","Journal of Organic Chemistry","2008","73","","9140","9143","10.1021/jo801672f","","","0.71073","MoKα","","0.0891","0.0666","","","0.1475","0.1636","","","","","","1.044","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023857","8.796","0.0011","9.6353","0.0012","9.7145","0.0013","101.895","0.002","93.023","0.002","107.367","0.002","763.14","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N O2 S3 -","- C14 H17 N O2 S3 -","- C28 H34 N2 O4 S6 -","2","1","","Jing-Yu Wu; Zhi-Bin Luo; Li-Xin Dai; Xue-Long Hou","Tributylphosphine-Catalyzed Cycloaddition of Aziridines with Carbon Disulfide and Isothiocyanate","Journal of Organic Chemistry","2008","73","","9137","9139","10.1021/jo801703h","","","0.71073","MoKα","","0.0917","0.0474","","","0.1034","0.1145","","","","","","0.811","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023858","9.6978","0.0008","10.136","0.0009","11.3707","0.001","68.931","0.001","69.757","0.002","77.33","0.002","972.79","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O2 S2 -","- C20 H22 N2 O2 S2 -","- C40 H44 N4 O4 S4 -","2","1","","Jing-Yu Wu; Zhi-Bin Luo; Li-Xin Dai; Xue-Long Hou","Tributylphosphine-Catalyzed Cycloaddition of Aziridines with Carbon Disulfide and Isothiocyanate","Journal of Organic Chemistry","2008","73","","9137","9139","10.1021/jo801703h","","","0.71073","MoKα","","0.0507","0.0428","","","0.1158","0.1207","","","","","","1.069","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023859","17.3385","0.0007","16.902","0.0007","18.501","0.0008","90","","93.732","0.002","90","","5410.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H80 Cl6 N6 O9 -","- C48 H80 Cl6 N6 O9 -","- C192 H320 Cl24 N24 O36 -","4","1","","M. Arunachalam; I. Ravikumar; Pradyut Ghosh","A New Hexaaza Bicyclic Cyclophane with Dual Binding Sites","Journal of Organic Chemistry","2008","73","","9144","9147","10.1021/jo801762b","","","0.71073","MoKα","","0.0933","0.0439","","","0.105","0.1426","","","","","","1.133","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023860","11.8913","0.0015","12.9733","0.0017","39.452","0.005","90","","92.078","0.002","90","","6082.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 I6 N6 O3 -","- C48 H66 I6 N6 O3 -","- C192 H264 I24 N24 O12 -","4","1","","M. Arunachalam; I. Ravikumar; Pradyut Ghosh","A New Hexaaza Bicyclic Cyclophane with Dual Binding Sites","Journal of Organic Chemistry","2008","73","","9144","9147","10.1021/jo801762b","","","0.71073","MoKα","","0.1018","0.0665","","","0.1884","0.2055","","","","","","1.149","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023861","15.395","0.004","16.012","0.004","20.202","0.005","90","","102.086","0.004","90","","4870","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N6 O2 -","- C54 H72 N6 O2 -","- C216 H288 N24 O8 -","4","1","","M. Arunachalam; I. Ravikumar; Pradyut Ghosh","A New Hexaaza Bicyclic Cyclophane with Dual Binding Sites","Journal of Organic Chemistry","2008","73","","9144","9147","10.1021/jo801762b","","","0.71073","MoKα","","0.106","0.0816","","","0.2369","0.266","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023862","12.349","0.0014","17.171","0.0018","13.4281","0.0015","90","","91.906","0.003","90","","2845.8","0.5","153","2","153","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C93 H26 Br6 -","- C93 H25 Br6 -","- C186 H50 Br12 -","2","0.5","","Paris E. Georghiou; Louise N. Dawe; Huu-Anh Tran; Jörg Struübe; Beate Neumann; Hans-Georg Stammler; Dietmar Kuck","C~3v~Symmetrical Tribenzotriquinacenes as Hosts for C~60~ and C~70~ in Solution and in the Solid State","Journal of Organic Chemistry","2008","73","","9040","9047","10.1021/jo801782z","","","0.7107","MoKα","","0.0744","0.0655","","","0.1671","0.1748","","","","","","1.085","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023863","12.1723","0.0002","13.0295","0.0003","15.6452","0.0003","75.3784","0.0009","67.5715","0.0012","72.2295","0.0011","2157.96","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 Cl6 S6 -","- C46 H32 Cl6 S6 -","- C92 H64 Cl12 S12 -","2","1","","Paris E. Georghiou; Louise N. Dawe; Huu-Anh Tran; Jörg Struübe; Beate Neumann; Hans-Georg Stammler; Dietmar Kuck","C~3v~Symmetrical Tribenzotriquinacenes as Hosts for C~60~ and C~70~ in Solution and in the Solid State","Journal of Organic Chemistry","2008","73","","9040","9047","10.1021/jo801782z","","","0.71073","MoKα","","0.0544","0.0375","","","0.0821","0.089","","","","","","1.03","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023864","21.171","0.004","18.745","0.003","25.119","0.004","90","","91.987","0.004","90","","9963","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C179 H43 Cl2.5 S6 -","- C178.5 H40 Cl2.68 S6 -","- C714 H160 Cl10.72 S24 -","4","1","","Paris E. Georghiou; Louise N. Dawe; Huu-Anh Tran; Jörg Struübe; Beate Neumann; Hans-Georg Stammler; Dietmar Kuck","C~3v~Symmetrical Tribenzotriquinacenes as Hosts for C~60~ and C~70~ in Solution and in the Solid State","Journal of Organic Chemistry","2008","73","","9040","9047","10.1021/jo801782z","","","0.7107","MoKα","","0.1556","0.1218","","","0.2388","0.2606","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023865","7.1004","0.0001","17.4319","0.0002","19.7015","0.0002","90","","90","","90","","2438.52","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-(3-fluoro-4-methoxyphenyl)-9-isopropyl-2,8-bis(4-methoxyphenyl)-9H-purine","","- C29 H27 F N4 O3 -","- C29 H27 F N4 O3 -","- C116 H108 F4 N16 O12 -","4","1","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Synthesis of 6,8,9-Tri- and 2,6,8,9-Tetrasubstituted Purines by a Combination of the Suzuki Cross-coupling, N-Arylation, and Direct C-H Arylation Reactions","Journal of Organic Chemistry","2008","73","","9048","9054","10.1021/jo8018126","","x-ray","1.54184","CuKα","","0.0414","0.0317","","0.043","0.036","0.036","","","","","","1.0768","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023866","10.1515","0.0012","13.1309","0.0011","18.557","0.0017","90","","91.195","0.009","90","","2473.1","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(4-methoxyphenyl)-8-(3,4,5-trimethoxyphenyl)-9H-purin-6-amine","","- C22 H22 Cl3 N5 O4 -","- C22 H22 Cl3 N5 O4 -","- C88 H88 Cl12 N20 O16 -","4","1","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Synthesis of 6,8,9-Tri- and 2,6,8,9-Tetrasubstituted Purines by a Combination of the Suzuki Cross-coupling, N-Arylation, and Direct C-H Arylation Reactions","Journal of Organic Chemistry","2008","73","","9048","9054","10.1021/jo8018126","","x-ray","1.54184","CuKα","","0.0905","0.0488","","0.078","0.0567","0.0567","","","","","","1.1339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023867","9.892","0.0008","10.9199","0.0007","15.2855","0.0009","97.982","0.005","101.901","0.006","112.999","0.007","1442.4","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","N,N,8,9-tetrakis(4-methoxyphenyl)-9H-purin-6-amine","","- C33 H29 N5 O4 -","- C33 H29 N5 O4 -","- C66 H58 N10 O8 -","2","1","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Synthesis of 6,8,9-Tri- and 2,6,8,9-Tetrasubstituted Purines by a Combination of the Suzuki Cross-coupling, N-Arylation, and Direct C-H Arylation Reactions","Journal of Organic Chemistry","2008","73","","9048","9054","10.1021/jo8018126","","x-ray","1.54184","CuKα","","0.0534","0.0403","","0.0554","0.0471","0.0471","","","","","","1.0621","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023868","21.1651","0.0015","21.4566","0.0018","12.9527","0.0011","90","","90","","90","","5882.2","0.8","173.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H76 Cl2 N2 O2 P2 Ru -","- C66 H76 Cl2 N2 O2 P2 Ru -","- C264 H304 Cl8 N8 O8 P8 Ru4 -","4","1","","Hirohito Ooka; Noriyoshi Arai; Keita Azuma; Nobuhito Kurono; Takeshi Ohkuma","Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by the TolBINAP/DMAPEN-Ruthenium(II) Complex: A Significant Effect of N-Substituents of Chiral 1,2-Diamine Ligands on Enantioselectivity","Journal of Organic Chemistry","2008","73","","9084","9093","10.1021/jo801863q","","","0.71075","MoKα","","","0.0611","","","","0.1723","","","","","","1.272","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023869","9.1562","0.0012","10.6764","0.0014","12.1295","0.0016","111.929","0.002","108.08","0.002","93.745","0.002","1023.3","0.2","155","2","155","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C50 H44 N4 O8 -","2","1","","Ellis, J. Michael; Overman, Larry E.; Tanner, Huw R.; Wang, Jocelyn","A Versatile Synthesis of Unsymmetrical 3,3'-Bioxindoles: Stereoselective Mukaiyama Aldol Reactions of 2-Siloxyindoles with Isatins","The Journal of Organic Chemistry","2008","73","22","9151","9154","10.1021/jo801867w","","","0.71073","MoKα","","0.0434","0.0369","","","0.094","0.0995","","","","","","1.033","","","","has coordinates","219247","2020-10-21","18:00:00",""
"4023870","11.3377","0.0008","12.6716","0.0008","14.0225","0.0009","73.219","0.006","87.759","0.005","64.149","0.007","1726.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C37 H45 N O14 -","- C37 H45 N O14 -","- C74 H90 N2 O28 -","2","1","","Adam M.-P. Pederson; Elizabeth M. Ward; Daniel V. Schoonover; Carla Slebodnick; Harry W. Gibson","High-Yielding, Regiospecific Synthesis of cis(4,4')-Di(carbomethoxybenzo)-30-crown-10, Its Conversion to a Pyridyl Cryptand and Strong Complexation of 2,2'- and 4,4'-Bipyridinium Derivatives","Journal of Organic Chemistry","2008","73","","9094","9101","10.1021/jo801886x","","x-ray","1.54184","CuKα","","0.0594","0.0368","","","0.0717","0.0753","","","","","","0.79","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023871","13.9013","0.0005","17.2987","0.0006","26.7004","0.001","84.77","0.003","76.048","0.003","85.381","0.003","6194","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106.08 H140.17 F24 N6 O33.69 P4 -","- C106.085 H134.17 F24 N6 O33.695 P4 -","- C212.17 H268.34 F48 N12 O67.39 P8 -","2","1","","Adam M.-P. Pederson; Elizabeth M. Ward; Daniel V. Schoonover; Carla Slebodnick; Harry W. Gibson","High-Yielding, Regiospecific Synthesis of cis(4,4')-Di(carbomethoxybenzo)-30-crown-10, Its Conversion to a Pyridyl Cryptand and Strong Complexation of 2,2'- and 4,4'-Bipyridinium Derivatives","Journal of Organic Chemistry","2008","73","","9094","9101","10.1021/jo801886x","","x-ray","1.54178","CuKα","","0.1306","0.0849","","","0.2229","0.2676","","","","","","0.983","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023872","11.5845","0.0005","12.4583","0.0007","20.496","0.0011","78.156","0.005","85.048","0.004","63.555","0.005","2592.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H57 F12 N3 O14 P2 -","- C49 H57 F12 N3 O14 P2 -","- C98 H114 F24 N6 O28 P4 -","2","1","","Adam M.-P. Pederson; Elizabeth M. Ward; Daniel V. Schoonover; Carla Slebodnick; Harry W. Gibson","High-Yielding, Regiospecific Synthesis of cis(4,4')-Di(carbomethoxybenzo)-30-crown-10, Its Conversion to a Pyridyl Cryptand and Strong Complexation of 2,2'- and 4,4'-Bipyridinium Derivatives","Journal of Organic Chemistry","2008","73","","9094","9101","10.1021/jo801886x","","x-ray","0.71073","MoKα","","0.1352","0.0637","","","0.1534","0.1732","","","","","","0.841","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023873","13.9741","0.0004","16.8936","0.0005","26.4827","0.0005","89.867","0.002","81.082","0.002","85.426","0.002","6156.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H136 F24 N6 O35 P4 -","- C105 H132 F24 N6 O35 P4 -","- C210 H264 F48 N12 O70 P8 -","2","1","","Adam M.-P. Pederson; Elizabeth M. Ward; Daniel V. Schoonover; Carla Slebodnick; Harry W. Gibson","High-Yielding, Regiospecific Synthesis of cis(4,4')-Di(carbomethoxybenzo)-30-crown-10, Its Conversion to a Pyridyl Cryptand and Strong Complexation of 2,2'- and 4,4'-Bipyridinium Derivatives","Journal of Organic Chemistry","2008","73","","9094","9101","10.1021/jo801886x","","x-ray","0.71073","MoKα","","0.141","0.0621","","","0.1545","0.1694","","","","","","0.848","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023874","11.0169","0.0017","14.654","0.002","28.298","0.005","90","","90","","90","","4568.4","1.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N S -","- C13 H15 N S -","- C208 H240 N16 S16 -","16","2","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0763","0.0471","","","0.1071","0.1263","","","","","","1.018","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023875","7.6862","0.0008","7.7203","0.0008","22.579","0.002","90","","91.162","0.002","90","","1339.6","0.2","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0457","0.037","","","0.101","0.1066","","","","","","1.107","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023876","7.789","0.002","17.671","0.005","17.796","0.005","90","","90","","90","","2449.2","1.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N S -","- C14 H17 N S -","- C112 H136 N8 S8 -","8","2","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.1163","0.0657","","","0.1362","0.16","","","","","","0.992","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023877","6.2373","0.0008","18.052","0.002","11.0263","0.0014","90","","102.11","0.002","90","","1213.9","0.3","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N S -","- C13 H14 Cl N S -","- C52 H56 Cl4 N4 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0483","0.0373","","","0.0942","0.1013","","","","","","1.039","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023878","26.056","0.003","7.7067","0.0008","13.5969","0.0015","90","","90","","90","","2730.3","0.5","90","","90","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0471","0.0382","","","0.0954","0.1016","","","","","","1.049","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023879","7.9612","0.0016","6.8315","0.0014","23.039","0.005","90","","98.845","0.003","90","","1238.1","0.4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0402","0.0348","","","0.0924","0.097","","","","","","1.065","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023880","18.069","0.004","5.9249","0.0014","9.399","0.002","90","","90","","90","","1006.3","0.4","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N S -","- C11 H13 N S -","- C44 H52 N4 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0412","0.0376","","","0.1002","0.1023","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023881","5.6481","0.0011","13.449","0.003","14.691","0.003","90","","90","","90","","1116","0.4","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O S -","- C12 H15 N O S -","- C48 H60 N4 O4 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0343","0.0315","","","0.0778","0.079","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023882","14.5885","0.0018","8.2099","0.001","18.071","0.002","90","","90","","90","","2164.3","0.5","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N S -","- C12 H15 N S -","- C96 H120 N8 S8 -","8","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0595","0.041","","","0.0992","0.1138","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023883","6.3656","0.001","23.557","0.004","7.7957","0.0012","90","","108.291","0.002","90","","1109.9","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 S -","- C12 H12 N2 S -","- C48 H48 N8 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0493","0.0446","","","0.1189","0.1287","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023884","6.5884","0.0008","22.658","0.003","7.8877","0.001","90","","108.06","0.002","90","","1119.5","0.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0438","0.0388","","","0.1114","0.1241","","","","","","1.127","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023885","5.8821","0.0008","12.6936","0.0017","12.0076","0.0016","90","","99.402","0.002","90","","884.5","0.2","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N S -","- C9 H11 N S -","- C36 H44 N4 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0436","0.0347","","","0.0877","0.0927","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023886","10.992","0.005","11.419","0.005","11.701","0.005","90","0.005","112.083","0.005","90","0.005","1360.9","1","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H36 O4 S4 -","- C28 H36 O4 S4 -","- C56 H72 O8 S8 -","2","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54179","CuKα","","","0.0429","","","","0.1204","","","","","","1.039","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023887","10.8823","0.0004","6.713","0.0003","22.1603","0.0008","90","","91.307","0.003","90","","1618.45","0.11","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 O4 S6 -","- C32 H44 O4 S6 -","- C64 H88 O8 S12 -","2","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54184","CuKα","","","0.0689","","","","0.1829","","","","","","1.137","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023888","10.6965","0.0006","11.757","0.0011","16.1963","0.0011","94.942","0.006","94.876","0.005","108.935","0.006","1905.6","0.2","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 O2 S4 -","- C18 H26 O2 S4 -","- C72 H104 O8 S16 -","4","2","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54184","CuKα","","","0.0686","","","","0.2027","","","","","","1.038","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023889","10.387","0.0003","10.9656","0.0004","21.2348","0.0005","97.441","0.002","95.973","0.002","111.024","0.003","2208.81","0.12","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 O4 S10 -","- C40 H59.392 O4 S10 -","- C80 H118.784 O8 S20 -","2","1","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","","1.5418","CuKα","","","0.0404","","","","0.118","","","","","","1.055","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023890","9.393","0.006","9.113","0.008","10.616","0.003","90","","105.78","0.04","90","","874.5","1","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H20 O4 S4 -","- C14 H20 O4 S4 -","- C28 H40 O8 S8 -","2","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54179","CuKα","","","0.0341","","","","0.0923","","","","","","1.034","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023891","19.452","0.0017","8.2944","0.0008","22","0.05","90","","115.78","0.13","90","","3196","7","150","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 Ag F3 O4 S3 -","- C11 H14 Ag F3 O4 S3 -","- C88 H112 Ag8 F24 O32 S24 -","8","2","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54184","CuKα","","","0.135","","","","0.3605","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023892","8.907","0.0004","10.5257","0.0005","16.7394","0.001","98.207","0.004","98.285","0.004","113.525","0.004","1388.79","0.12","150","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 Ag2 F6 O12 S12 -","- C40 H56 Ag2 F6 O12 S12 -","- C40 H56 Ag2 F6 O12 S12 -","1","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54184","CuKα","","","0.0516","","","","0.1403","","","","","","1.055","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023893","22.36","0.02","11.045","0.011","23.24","0.03","90","","106.055","0.011","90","","5516","1.1","150.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C57 H68 F3 N O14 -","- C57 H68 F3 N O14 -","- C228 H272 F12 N4 O56 -","4","1","","Yoshimasa Makita; Nobuhiro Kihara; Toshikazu Takata","Quantitative Active Transport in [2]Rotaxane Using a One-Shot Acylation Reaction toward the Linear Molecular Motor","Journal of Organic Chemistry","2008","73","","9245","9250","10.1021/jo8013726","","","0.7107","MoKα","","","0.076","","","","0.261","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023894","9.995","0.011","18.285","0.009","13.353","0.007","90","","100.118","0.004","90","","2402.4","3.1","150.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H62 F6 N O10 P -","- C46 H62 F6 N O10 P -","- C92 H124 F12 N2 O20 P2 -","2","1","","Yoshimasa Makita; Nobuhiro Kihara; Toshikazu Takata","Quantitative Active Transport in [2]Rotaxane Using a One-Shot Acylation Reaction toward the Linear Molecular Motor","Journal of Organic Chemistry","2008","73","","9245","9250","10.1021/jo8013726","","","0.7107","MoKα","","","0.058","","","","0.17","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023895","11.9903","0.0012","7.6035","0.0008","17.4995","0.0018","90","","105.585","0.002","90","","1536.7","0.3","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C64 H56 F12 N12 O8 -","4","1","","Cidália M. G. dos Santo; Thomas McCabe; Graeme W. Watson; Paul E. Kruger; Thorfinnur Gunnlaugsson","The Recognition and Sensing of Anions through ""Positive Allosteric Effects"" Using Simple Urea‒Amide Receptors","Journal of Organic Chemistry","2008","73","","9235","9244","10.1021/jo8014424","","","0.71073","MoKα","","0.091","0.0477","","","0.1048","0.1224","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023896","4.649","0.003","6.738","0.005","13.324","0.01","87.993","0.013","89.247","0.017","88.2","0.02","416.9","0.5","108","2","108","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H18 F3 N3 O3 -","- C17 H18 F3 N3 O3 -","- C17 H18 F3 N3 O3 -","1","1","","Cidália M. G. dos Santo; Thomas McCabe; Graeme W. Watson; Paul E. Kruger; Thorfinnur Gunnlaugsson","The Recognition and Sensing of Anions through ""Positive Allosteric Effects"" Using Simple Urea‒Amide Receptors","Journal of Organic Chemistry","2008","73","","9235","9244","10.1021/jo8014424","","","0.7107","MoKα","","0.0643","0.052","","","0.1331","0.1445","","","","","","0.98","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4023897","11.322","0.017","15.8","0.02","8.821","0.012","90","","96.43","0.03","90","","1568","4","108","2","108","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C64 H56 F12 N12 O8 -","4","1","","Cidália M. G. dos Santo; Thomas McCabe; Graeme W. Watson; Paul E. Kruger; Thorfinnur Gunnlaugsson","The Recognition and Sensing of Anions through ""Positive Allosteric Effects"" Using Simple Urea‒Amide Receptors","Journal of Organic Chemistry","2008","73","","9235","9244","10.1021/jo8014424","","","0.7107","MoKα","","0.1083","0.0843","","","0.2287","0.2554","","","","","","1.196","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4023898","27.904","0.0006","8.061","0.0002","15.339","0.0004","90","","103.948","0.001","90","","3348.5","0.1","273.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H30 O3 -","- C17 H30 O3 -","- C136 H240 O24 -","8","1","","Ryukichi Takagi; Yuta Inoue; Katsuo Ohkata","Construction of the Adamantane Core of Plukenetione-Type Polycyclic Polyprenylated Acylphloroglucinols","Journal of Organic Chemistry","2008","73","","9320","9325","10.1021/jo801595y","","","0.7107","MoKα","","","0.0784","","","","0.324","","","","","","1.433","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023899","8.345","0.0004","13.112","0.0005","14.223","0.0006","111.615","0.003","99.645","0.002","102.506","0.002","1359.1","0.1","571.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O3 -","- C15 H21 O3 -","- C60 H84 O12 -","4","2","","Ryukichi Takagi; Yuta Inoue; Katsuo Ohkata","Construction of the Adamantane Core of Plukenetione-Type Polycyclic Polyprenylated Acylphloroglucinols","Journal of Organic Chemistry","2008","73","","9320","9325","10.1021/jo801595y","","","0.7107","MoKα","","","0.1173","","","","0.4156","","","","","","1.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023900","7.563","0.003","5.722","0.002","25.643","0.01","90","","91.94","0.006","90","","1109","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 -","- C13 H16 N2 -","- C52 H64 N8 -","4","1","","Douglass F. Taber; Pengfei Guo","Convenient Access to Bicyclic and Tricyclic Diazenes","Journal of Organic Chemistry","2008","73","","9479","9481","10.1021/jo8017704","","","0.71073","MoKα","","0.0788","0.0728","","","0.1924","0.1989","","","","","","1.006","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023901","13.876","0.003","5.9143","0.0012","14.299","0.003","90","","100.581","0.002","90","","1153.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 Br O3 -","- C26 H31 Br O3 -","- C52 H62 Br2 O6 -","2","1","","Douglass F. Taber; James F. Berry; Timothy J. Martin","Convenient Synthetic Route to an Enantiomerically Pure FMOC α-Amino Acid","Journal of Organic Chemistry","2008","73","","9334","9339","10.1021/jo801781v","","","0.71073","MoKα","","0.0295","0.0281","","","0.0702","0.0718","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023902","8.9746","0.0017","21.82","0.004","24.89","0.005","90","","90","","90","","4874.3","1.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 N O4 -","- C27 H37 N O4 -","- C216 H296 N8 O32 -","8","2","","Douglass F. Taber; James F. Berry; Timothy J. Martin","Convenient Synthetic Route to an Enantiomerically Pure FMOC α-Amino Acid","Journal of Organic Chemistry","2008","73","","9334","9339","10.1021/jo801781v","","","0.71073","MoKα","","0.0628","0.047","","","0.1003","0.1051","","","","","","1.045","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023903","10.212","0.002","10.986","0.002","19.149","0.003","73.713","0.002","80.078","0.003","78.97","0.003","2007.9","0.6","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C98 H118 B2 N4 -","- C98 H118 B2 N4 -","- C98 H118 B2 N4 -","1","0.5","","Murray V. Baker; David H. Brown; Charles H. Heath; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: Effects of Structure, Solvent, and Counteranions on Solution Conformation Behavior","Journal of Organic Chemistry","2008","73","","9340","9352","10.1021/jo801860d","","","0.71073","MoKα","","0.11","0.049","","0.048","","0.04","","","1","","","1.137","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023904","9.051","0.002","10.069","0.002","27.751","0.005","80.531","0.003","80.729","0.003","80.473","0.003","2436.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H68 Br2 N4 O9 -","- C46 H68 Br2 N4 O9 -","- C92 H136 Br4 N8 O18 -","2","1","","Murray V. Baker; David H. Brown; Charles H. Heath; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: Effects of Structure, Solvent, and Counteranions on Solution Conformation Behavior","Journal of Organic Chemistry","2008","73","","9340","9352","10.1021/jo801860d","","","0.71073","MoKα","","0.087","0.087","","0.145","","0.145","","","1.032","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023905","20.524","0.002","20.512","0.002","13.607","0.001","90","","126.334","0.001","90","","4614.7","0.7","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 Br2 N4 O8 -","- C46 H66 Br2 N4 O8 -","- C184 H264 Br8 N16 O32 -","4","0.5","","Murray V. Baker; David H. Brown; Charles H. Heath; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: Effects of Structure, Solvent, and Counteranions on Solution Conformation Behavior","Journal of Organic Chemistry","2008","73","","9340","9352","10.1021/jo801860d","","","0.71073","MoKα","","0.046","0.034","","","0.063","0.08","","","","0.99","0.99","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023906","10.3207","0.0003","7.6282","0.0003","12.6921","0.0005","90","","112.593","0.002","90","","922.54","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O6 S -","- C19 H22 O6 S -","- C38 H44 O12 S2 -","2","1","","José L. García Ruano; Alberto Núñez, Jr.; M. Rosario Martín; Alberto Fraile","Totally Regio- and Stereoselective Behavior of Mono- and Diactivated Cyclic Alkenes in the Lu Reaction: Synthesis of Enantiopure Functionalized Cyclopentanes","Journal of Organic Chemistry","2008","73","","9366","9371","10.1021/jo801896a","","","1.54178","CuKα","","0.0385","0.0381","","","0.097","0.0974","","","","","","1.042","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023907","11.0995","0.0002","7.8075","0.0001","11.6718","0.0002","90","","99.582","0.001","90","","997.36","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 S -","- C20 H24 O6 S -","- C40 H48 O12 S2 -","2","1","","José L. García Ruano; Alberto Núñez, Jr.; M. Rosario Martín; Alberto Fraile","Totally Regio- and Stereoselective Behavior of Mono- and Diactivated Cyclic Alkenes in the Lu Reaction: Synthesis of Enantiopure Functionalized Cyclopentanes","Journal of Organic Chemistry","2008","73","","9366","9371","10.1021/jo801896a","","","1.54178","CuKα","","0.0361","0.0343","","","0.0868","0.0886","","","","","","1.033","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023908","8.9981","0.0004","13.919","0.0005","21.4328","0.0008","90","","90","","90","","2684.34","0.18","120","","120","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C31 H26 Cl3 N S2 -","- C31 H26 Cl3 N S2 -","- C124 H104 Cl12 N4 S8 -","4","1","","Peng Gao; Xinliang Feng; Xiaoyin Yang; Volker Enkelmann; Martin Baumgarten; Klaus Müllen","Conjugated Ladder-Type Heteroacenes Bearing Pyrrole and Thiophene Ring Units: Facile Synthesis and Characterization","Journal of Organic Chemistry","2008","73","","9207","9213","10.1021/jo801898g","","","0.71073","MoKα","","0.0303","0.0303","","0.0345","0.0345","0.0345","","","","","","0.9996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023909","8.183","0.0008","30.249","0.003","14.6736","0.0014","90","","95.866","0.002","90","","3613.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O8 -","- C38 H48 N2 O8 -","- C152 H192 N8 O32 -","4","1","","Jian-Bin Lin; Xiao-Na Xu; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonding-Directed Multicomponent Dynamic Covalent Assembly of Mono- and Bimacrocycles. Self-Sorting and Macrocycle Exchange","Journal of Organic Chemistry","2008","73","","9403","9410","10.1021/jo801972s","","","0.71073","MoKα","","0.1857","0.0717","","","0.1827","0.2237","","","","","","0.857","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023910","11.5622","0.0013","12.7845","0.0014","13.3244","0.0015","67.745","0.002","71.964","0.002","80.985","0.002","1731.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N4 O6 -","- C36 H50 N4 O6 -","- C72 H100 N8 O12 -","2","1","","Jian-Bin Lin; Xiao-Na Xu; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonding-Directed Multicomponent Dynamic Covalent Assembly of Mono- and Bimacrocycles. Self-Sorting and Macrocycle Exchange","Journal of Organic Chemistry","2008","73","","9403","9410","10.1021/jo801972s","","","0.71073","MoKα","","0.108","0.0651","","","0.1655","0.1897","","","","","","0.904","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023911","11.885","0.003","14.33","0.004","14.588","0.004","61.422","0.005","73.105","0.005","68.882","0.005","2014","0.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C76 H96 Cl6 N6 O12 -","- C76 H96 Cl6 N6 O12 -","- C76 H96 Cl6 N6 O12 -","1","1","","Jian-Bin Lin; Xiao-Na Xu; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonding-Directed Multicomponent Dynamic Covalent Assembly of Mono- and Bimacrocycles. Self-Sorting and Macrocycle Exchange","Journal of Organic Chemistry","2008","73","","9403","9410","10.1021/jo801972s","","","0.71073","MoKα","","0.1208","0.0698","","","0.1706","0.2045","","","","","","0.921","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023912","18.515","0.002","11.0857","0.0012","7.8824","0.0009","90","","95.619","0.006","90","","1610.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br N2 O2 S -","- C15 H15 Br N2 O2 S -","- C60 H60 Br4 N8 O8 S4 -","4","1","","Jinho Kim; S. Yunmi Lee; Junseung Lee; Youngkyu Do; Sukbok Chang","Synthetic Utility of Ammonium Salts in a Cu-Catalyzed Three-Component Reaction as a Facile Coupling Partner","Journal of Organic Chemistry","2008","73","","9454","9457","10.1021/jo802014g","","","0.71073","MoKα","","0.1899","0.0672","","","0.1646","0.2145","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023913","18.8943","0.0012","4.5121","0.0003","11.5662","0.0008","90","","90","","90","","986.05","0.11","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Zhan Zhang; Ji-Young Shin; David Dolphin","Facile Synthesis of Unsubstituted β,β'-Linked Diformyldipyrromethanes","Journal of Organic Chemistry","2008","73","","9515","9517","10.1021/jo802114h","","","0.71073","MoKα","","0.0387","0.0327","","","0.0813","0.0849","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023914","8.8704","0.0004","15.0295","0.0011","10.2274","0.0007","90","","93.762","0.002","90","","1360.55","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cl N2 O4 -","- C12 H17 Cl N2 O4 -","- C48 H68 Cl4 N8 O16 -","4","1","","Zhan Zhang; Ji-Young Shin; David Dolphin","Facile Synthesis of Unsubstituted β,β'-Linked Diformyldipyrromethanes","Journal of Organic Chemistry","2008","73","","9515","9517","10.1021/jo802114h","","","0.71073","MoKα","","0.0917","0.0657","","","0.1647","0.1822","","","","","","1.054","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023915","12.6545","0.0008","6.4943","0.0006","15.007","0.0012","90","","109.347","0.003","90","","1163.66","0.16","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H37 N O3 S -","- C24 H37 N O3 S -","- C48 H74 N2 O6 S2 -","2","1","","Peter Webber; Michael J. Krische","Concise Stereocontrolled Formal Synthesis of (\±)-Quinine and Total Synthesis of (\±)-7- Hydroxyquinine via Merged Morita‒Baylis‒Hillman‒Tsuji‒Trost Cyclization","Journal of Organic Chemistry","2008","73","","9379","9387","10.1021/jo802165k","","","0.71073","MoKα","","0.193","0.0692","","","0.1023","0.124","","","","","","1.196","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023916","11.9886","0.0009","11.8356","0.0007","35.078","0.003","90","","91.265","0.003","90","","4976.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O6 -","- C25 H33 N2 O5.5 -","- C200 H264 N16 O44 -","8","2","","Peter Webber; Michael J. Krische","Concise Stereocontrolled Formal Synthesis of (\±)-Quinine and Total Synthesis of (\±)-7- Hydroxyquinine via Merged Morita‒Baylis‒Hillman‒Tsuji‒Trost Cyclization","Journal of Organic Chemistry","2008","73","","9379","9387","10.1021/jo802165k","","","0.71073","MoKα","","0.3545","0.0724","","","0.0888","0.1455","","","","","","0.888","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023917","11.9551","0.0009","18.5416","0.0014","15.8097","0.0012","90","","109.276","0.003","90","","3308","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 N O6 S2 Si -","- C32 H47 N O6 S2 Si -","- C128 H188 N4 O24 S8 Si4 -","4","1","","Michael S. Wilson; Albert Padwa","A Stereoselective Approach to the Azaspiro[5.5]undecane Ring System Using a Conjugate Addition/Dipolar Cycloaddition Cascade: Application to the Total Synthesis of (±)-2,7,8-epi-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","9601","9609","10.1021/jo801295e","","","1.54178","CuKα","","0.0498","0.0405","","","0.107","0.1111","","","","","","1.198","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023918","10.0794","0.0017","11.2603","0.0018","16.212","0.002","80.164","0.008","82.222","0.008","69.838","0.008","1696","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H47 N O6 S2 Si -","- C32 H47 N O6 S2 Si -","- C64 H94 N2 O12 S4 Si2 -","2","1","","Michael S. Wilson; Albert Padwa","A Stereoselective Approach to the Azaspiro[5.5]undecane Ring System Using a Conjugate Addition/Dipolar Cycloaddition Cascade: Application to the Total Synthesis of (±)-2,7,8-epi-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","9601","9609","10.1021/jo801295e","","","1.54178","CuKα","","0.1658","0.112","","","0.2508","0.2837","","","","","","0.997","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023919","20.3831","0.0014","14.5284","0.0009","23.2366","0.0015","90","","90","","90","","6881.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H51 N3 O5 S -","- C35 H51 N3 O5 S -","- C280 H408 N24 O40 S8 -","8","1","","Michael S. Wilson; Albert Padwa","A Stereoselective Approach to the Azaspiro[5.5]undecane Ring System Using a Conjugate Addition/Dipolar Cycloaddition Cascade: Application to the Total Synthesis of (±)-2,7,8-epi-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","9601","9609","10.1021/jo801295e","","","1.54178","CuKα","","0.1128","0.0457","","","0.1381","0.1775","","","","","","1.05","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023920","7.337","0.0008","10.6664","0.0011","13.1655","0.0014","92.05","0.004","95.711","0.004","94.074","0.004","1021.67","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 F2 N2 -","- C12 H10 F2 N2 -","- C48 H40 F8 N8 -","4","2","","Yun Ma; Sean Breslin; Ivan Keresztes; Emil Lobkovsky; David B. Collum","Synthesis of a 7-Azaindole by Chichibabin Cyclization: Reversible Base-Mediated Dimerization of 3-Picolines","Journal of Organic Chemistry","2008","73","","9610","9618","10.1021/jo801410s","","","0.71073","MoKα","","0.1012","0.0767","","","0.2157","0.2301","","","","","","1.513","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023921","11.0384","0.001","5.4963","0.0004","11.9439","0.0013","90","","98.016","0.008","90","","717.56","0.12","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C32 H42 N2 O4 -","2","1","","Jeanne Alladoum; Sylvain Roland; Emmanuel Vrancken; Pierre Mangeney; Catherine Kadouri-Puchot","Short Enantioselective Syntheses of trans-5-Alkylprolines from New Functionalized Amino Alcohols","Journal of Organic Chemistry","2008","73","","9771","9774","10.1021/jo8014243","","","0.71073","MoKα","","0.0472","0.0364","","0.0503","0.0432","0.0432","","","","","","1.0925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023922","15.0063","0.001","19.0084","0.0014","6.7002","0.0005","90","","90","","90","","1911.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Amino Acids: Preparation and Alkylation of Monocyclic Iminolactones Derived from α-Methyl trans-Cinnamaldehyde","Journal of Organic Chemistry","2008","73","","9527","9534","10.1021/jo801514g","","","0.71073","MoKα","","0.0742","0.0429","","","0.0976","0.1101","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023923","10.676","0.012","8.688","0.012","16.49","0.02","90","","101.32","0.04","90","","1500","3","93.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O5 -","- C16 H17 O5 -","- C64 H68 O20 -","4","1","","Ken-ichi Yamada; Masaru Maekawa; Tito Akindele; Mayu Nakano; Yasutomo Yamamoto; Kiyoshi Tomioka","Chemoselective Conjugate Addition of Dimethylzinc-Mediated Ether and Acetal Radicals to Alkylidenemalonates and Asymmetric Reactions","Journal of Organic Chemistry","2008","73","","9535","9538","10.1021/jo801541m","","","0.71075","MoKα","","","0.055","","","","0.125","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023924","7.6742","0.0002","13.4254","0.0003","13.2089","0.0003","90","","94.302","0.002","90","","1357.07","0.06","100","","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","2","","Bin Wang; O. Andrea Wong; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation of 1,1-Disubstituted Terminal Olefins by Chiral Dioxirane via a Planar-like Transition State","Journal of Organic Chemistry","2008","73","","9539","9543","10.1021/jo801576k","","","0.71073","MoKα","","0.0929","0.0545","","","0.1298","0.159","","","","","","0.855","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023925","9.5204","0.0003","6.5582","0.0002","13.2707","0.0004","90","","91.632","0.002","90","","828.24","0.04","373","2","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C36 H42 N2 O12 -","2","1","","Bin Wang; O. Andrea Wong; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation of 1,1-Disubstituted Terminal Olefins by Chiral Dioxirane via a Planar-like Transition State","Journal of Organic Chemistry","2008","73","","9539","9543","10.1021/jo801576k","","","0.71073","MoKα","","0.0492","0.0382","","","0.1066","0.1184","","","","","","0.825","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023926","6.764","0.0003","10.3317","0.0003","28.5745","0.0012","90","","90","","90","","1996.89","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Bin Wang; O. Andrea Wong; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation of 1,1-Disubstituted Terminal Olefins by Chiral Dioxirane via a Planar-like Transition State","Journal of Organic Chemistry","2008","73","","9539","9543","10.1021/jo801576k","","","0.71073","MoKα","","0.1245","0.0678","","","0.1194","0.1442","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023927","18.996","0.016","5.709","0.005","20.557","0.017","90","","115.272","0.009","90","","2016","3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Br O4 -","- C22 H25 Br O4 -","- C88 H100 Br4 O16 -","4","1","","T. Andrew Mitchell; Cunxiang Zhao; Daniel Romo","Diastereoselective, Three-Component Cascade Synthesis of Tetrahydrofurans and Tetrahydropyrans Employing the Tandem Mukaiyama Aldol‒Lactonization Process","Journal of Organic Chemistry","2008","73","","9544","9551","10.1021/jo801604k","","","0.71073","MoKα","","0.0662","0.0352","","","0.0788","0.0934","","","","","","1.017","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023928","9.7661","0.0003","11.6217","0.0003","14.3084","0.0004","106.709","0.002","99.009","0.002","112.083","0.003","1375.72","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 N O3 -","- C34 H35 N O3 -","- C68 H70 N2 O6 -","2","1","","Claire C. A. Cariou; Guy J. Clarkson; Michael Shipman","Rapid Synthesis of 1,3,4,4-Tetrasubstituted β-Lactams from Methyleneaziridines Using a Four-Component Reaction","Journal of Organic Chemistry","2008","73","","9762","9764","10.1021/jo801664g","","","0.71073","MoKα","","0.0643","0.0466","","","0.1124","0.1217","","","","","","1.036","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023929","20.338","0.002","7.5857","0.0008","12.0204","0.0013","90","","98.046","0.002","90","","1836.2","0.3","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 I O3 Si -","- C15 H27 I O3 Si -","- C60 H108 I4 O12 Si4 -","4","1","","Mingji Dai; Isaac J. Krauss; Samuel J. Danishefsky","Total Synthesis of Spirotenuipesines A and B","Journal of Organic Chemistry","2008","73","","9576","9583","10.1021/jo8016814","","","0.71073","MoKα","","0.0822","0.0416","","","0.0993","0.124","","","","","","1.078","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023930","10.5","0.002","10.555","0.002","13.766","0.003","68.292","0.004","82.567","0.004","77.468","0.003","1381.6","0.4","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C14.999 H22 O4 -","- C59.996 H88 O16 -","4","2","","Mingji Dai; Isaac J. Krauss; Samuel J. Danishefsky","Total Synthesis of Spirotenuipesines A and B","Journal of Organic Chemistry","2008","73","","9576","9583","10.1021/jo8016814","","","0.71073","MoKα","","0.1674","0.0723","","","0.1622","0.2054","","","","","","1.02","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023931","16.481","0.004","7.997","0.003","11.861","0.003","90","","105.21","0.02","90","","1508.6","0.7","298.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H44 N2 O3 -","- C34 H44 N2 O3 -","- C68 H88 N4 O6 -","2","1","","Takayasu Yamauchi; Sachi Hagiwara; Kimio Higashiyama","Concise Total Synthesis of (-)-Deoxocuscohygrine and (-)-Dihydrocuscohygrine","Journal of Organic Chemistry","2008","73","","9784","9787","10.1021/jo801700f","","","1.5418","CuKα","","","0.05","","","","0.057","","","","","","4.547","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023932","14.567","0.002","15.564","0.003","31.013","0.005","90","","90","","90","","7031","2","273","2","313","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Taxoid SB-T-2054","","","- C51 H55 N O15 -","- C50.9 H55 N O14.9 -","- C203.6 H220 N4 O59.6 -","4","1","","Liang Sun; Xudong Geng; Raphal Geney; Yuan Li; Carlos Simmerling; Zhong Li; Joseph W. Lauher; Shujun Xia; Susan B. Horwitz; Jean M. Veith; Paula Pera; Ralph J. Bernacki; Iwao Ojima","Design, Synthesis, and Biological Evaluation of Novel C14‒C3' BzN-Linked Macrocyclic Taxoids","Journal of Organic Chemistry","2008","73","","9584","9593","10.1021/jo801713q","","","0.71073","MoKα","","0.334","0.1305","","","0.3096","0.3884","","","","","","1.086","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023933","7.0937","0.0003","13.3879","0.0006","33.7824","0.0016","90","","90","","90","","3208.3","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 N O5 S2 -","- C35 H39 N O5 S2 -","- C140 H156 N4 O20 S8 -","4","1","","Sandra Fanjul; Alison N. Hulme","Anti and Syn Glycolate Aldol Reactions with a Readily Displaced Thiol Auxiliary","Journal of Organic Chemistry","2008","73","","9788","9791","10.1021/jo801720v","","","0.71073","MoKα","","0.0565","0.0434","","0.0999","0.094","0.0999","","","","","","1.0405","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023934","9.116","0.0014","9.35","0.001","31.497","0.005","90","","90","","90","","2684.6","0.7","162","2","162","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br N3 O4 -","- C27 H34 Br N3 O4 -","- C108 H136 Br4 N12 O16 -","4","1","","Dieter Enders; Dominik Förster; Gerhard Raabe; Jan W. Bats","Asymmetric Synthesis of β-Nitro Ketones via Michael Addition of Lithiated α-Amino Nitriles to Nitroalkenes","Journal of Organic Chemistry","2008","73","","9641","9646","10.1021/jo8017318","","","0.71073","MoKα","","0.0914","0.0436","","","0.0735","0.0853","","","","","","1.003","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023935","7.93","0.0003","9.812","0.004","17.277","0.009","90","","90","","90","","1344.3","0.9","150","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","1","","Dieter Enders; Dominik Förster; Gerhard Raabe; Jan W. Bats","Asymmetric Synthesis of β-Nitro Ketones via Michael Addition of Lithiated α-Amino Nitriles to Nitroalkenes","Journal of Organic Chemistry","2008","73","","9641","9646","10.1021/jo8017318","","","1.54179","CuKα","","0.082","0.057","","0.065","","0.063","","","1.544","","","1.653","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023936","11.298","0.002","10.1305","0.0015","17.834","0.004","90","","90","","90","","2041.2","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Cl N O2 -","- C8 H16 Cl N O2 -","- C64 H128 Cl8 N8 O16 -","8","1","","Lijun Fan; Ashley M. Adams; Jason G. Polisar; Bruce Ganem","Studies on the Chemistry and Reactivity of α-Substituted Ketones in Isonitrile-Based Multicomponent Reactions","Journal of Organic Chemistry","2008","73","","9720","9726","10.1021/jo8019708","","","0.71073","MoKα","","0.0566","0.0382","","","0.0928","0.1025","","","","","","1.024","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023937","10.6239","0.001","7.828","0.0004","11.6847","0.001","90","","97.956","0.003","90","","962.39","0.13","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O5 -","- C18 H32 O5 -","- C36 H64 O10 -","2","1","","Gary E. Keck; Robert L. Giles; Victor J. Cee; Carrie A. Wager; Tao Yu; Matthew B. Kraft","Total Synthesis of Epothilones B and D: Stannane Equivalents for β-Keto Ester Dianions","Journal of Organic Chemistry","2008","73","","9675","9691","10.1021/jo802215v","","","0.71073","MoKα","","0.1094","0.0585","","","0.1166","0.1359","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023938","17.006","0.003","9.2753","0.0016","17.1","0.004","90","","105.239","0.005","90","","2602.4","0.9","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","2","","Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto","Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B","Journal of Organic Chemistry","2007","72","","4611","4620","10.1021/jo062423a","","","0.71069","MoKα","","0.1253","0.1162","","","0.3065","0.324","","","","","","1.348","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023939","6.9258","0.0008","8.8531","0.0011","17.129","0.002","90","","90","","90","","1050.3","0.2","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto","Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B","Journal of Organic Chemistry","2007","72","","4611","4620","10.1021/jo062423a","","","0.71069","MoKα","","0.0771","0.0593","","","0.1492","0.1699","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023940","9.0004","0.0008","6.8284","0.0006","15.7613","0.0014","90","","90","","90","","968.66","0.15","143","1","143","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","0.5","","Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto","Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B","Journal of Organic Chemistry","2007","72","","4611","4620","10.1021/jo062423a","","","0.71069","MoKα","","0.0514","0.0371","","","0.0911","0.1013","","","","","","0.962","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023941","18.451","0.003","8.185","0.001","13.7757","0.0017","90","","101.249","0.004","90","","2040.4","0.4","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O -","- C27 H29 N O -","- C108 H116 N4 O4 -","4","1","","Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto","Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B","Journal of Organic Chemistry","2007","72","","4611","4620","10.1021/jo062423a","","","0.71069","MoKα","","0.0346","0.0313","","","0.0708","0.0724","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023942","9.616","0.004","11.27","0.005","11.587","0.005","69.052","0.007","83.86","0.007","73.52","0.007","1124.5","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N2 O4 S2 -","- C24 H22 N2 O4 S2 -","- C48 H44 N4 O8 S4 -","2","1","","Yu-Long Zhao; Wei Zhang; Shuang Wang; Qun Liu","Ethynyl Ketene-S,S-acetals: The Highly Reactive Electron-Rich Dienophiles and Applications in the Synthesis of 4-Functionalized Quinolines via a One-Pot Three-Component Reaction","Journal of Organic Chemistry","2007","72","","4985","4988","10.1021/jo070069q","","","0.71073","MoKα","","0.1071","0.0623","","","0.139","0.1649","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023943","13.0227","0.0008","9.1344","0.0006","14.7121","0.0009","90","","94.405","0.002","90","","1744.9","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H56 O7 Si -","- C34 H56 O7 Si -","- C68 H112 O14 Si2 -","2","1","","Martin Juhl; Rune Monrad; Inger Søtofte; David Tanner","Toward the Synthesis of Norzoanthamine: Complete Fragment Assembly","Journal of Organic Chemistry","2007","72","","4644","4654","10.1021/jo070165r","","","0.71073","MoKα","","0.0996","0.0826","","","0.204","0.217","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023944","6.8902","0.0005","15.6556","0.0012","40.494","0.003","90","","90","","90","","4368.2","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H54 N2 O13 -","- C47 H54 N2 O13 -","- C188 H216 N8 O52 -","4","1","","Martin Juhl; Rune Monrad; Inger Søtofte; David Tanner","Toward the Synthesis of Norzoanthamine: Complete Fragment Assembly","Journal of Organic Chemistry","2007","72","","4644","4654","10.1021/jo070165r","","","1.54178","CuKα","","0.104","0.0758","","","0.18","0.2139","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023945","8.7254","0.0004","8.8412","0.0004","14.6943","0.0007","90","","90","","90","","1133.56","0.09","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Martin Juhl; Rune Monrad; Inger Søtofte; David Tanner","Toward the Synthesis of Norzoanthamine: Complete Fragment Assembly","Journal of Organic Chemistry","2007","72","","4644","4654","10.1021/jo070165r","","","0.71073","MoKα","","0.0471","0.0455","","","0.1238","0.1256","","","","","","1.168","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023946","19.788","0.0009","9.6912","0.0005","21.0268","0.0012","90","","115.297","0.002","90","","3645.6","0.3","293","","293","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C168 H152 N8 O32 -","8","2","","Hidenori Murata; Paul M. Lahti","Synthesis and Oxidation of Triarylamine Derivatives Bearing Hydrogen-Bonding Groups","Journal of Organic Chemistry","2007","72","","4974","4977","10.1021/jo070318a","","x-ray","0.71073","MoKα","","0.1139","0.069","","","0.183","0.2243","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023947","9.6333","0.0002","10.7971","0.0002","12.4742","0.0003","91.891","0.001","108.254","0.001","93.919","0.001","1227.26","0.05","293","","293","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H19 N O6 -","- C26 H19 N O7 -","- C52 H38 N2 O14 -","2","1","","Hidenori Murata; Paul M. Lahti","Synthesis and Oxidation of Triarylamine Derivatives Bearing Hydrogen-Bonding Groups","Journal of Organic Chemistry","2007","72","","4974","4977","10.1021/jo070318a","","x-ray","0.71073","MoKα","","0.1332","0.0688","","","0.2076","0.2456","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023948","6.74","0.0005","8.9687","0.0007","16.8973","0.0011","90.839","0.004","82.749","0.004","86.109","0.004","1010.7","1","293","","293","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C44 H38 N2 O12 -","2","1","","Hidenori Murata; Paul M. Lahti","Synthesis and Oxidation of Triarylamine Derivatives Bearing Hydrogen-Bonding Groups","Journal of Organic Chemistry","2007","72","","4974","4977","10.1021/jo070318a","","x-ray","0.71069","MoKα","","0.1109","0.0674","","","0.1851","0.2226","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023949","8.5226","0.0009","9.5572","0.001","13.0166","0.0014","79.425","0.002","84.405","0.002","72.404","0.002","992.5","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H32 O3 -","- C22 H32 O3 -","- C44 H64 O6 -","2","1","","Nadia M. Ahmad; Vincent Rodeschini; Nigel S. Simpkins; Simon E. Ward; Alexander J. Blake","Synthesis of Polyprenylated Acylphloroglucinols Using Bridgehead Lithiation: The Total Synthesis of Racemic Clusianone and a Formal Synthesis of Racemic Garsubellin A","Journal of Organic Chemistry","2007","72","","4803","4815","10.1021/jo070388h","","","0.71073","MoKα","","0.0636","0.0522","","","0.1484","0.1569","","","","","","1.064","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023950","7.786","0.002","8.516","0.002","14.74","0.003","77.603","0.004","81.969","0.004","85.596","0.004","944","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","","Nadia M. Ahmad; Vincent Rodeschini; Nigel S. Simpkins; Simon E. Ward; Alexander J. Blake","Synthesis of Polyprenylated Acylphloroglucinols Using Bridgehead Lithiation: The Total Synthesis of Racemic Clusianone and a Formal Synthesis of Racemic Garsubellin A","Journal of Organic Chemistry","2007","72","","4803","4815","10.1021/jo070388h","","","0.71073","MoKα","","0.0656","0.0393","","","0.0966","0.107","","","","","","0.97","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023951","11.975","0.003","20.307","0.004","23.856","0.005","90","","90","","90","","5801","2","98","2","98","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C65 H76 N4 O8 -","- C65 H76 N4 O8 -","- C260 H304 N16 O32 -","4","0.5","","Zi-Bo Li; Jing Lin; Michal Sabat; Marilise Hyacinth; Lin Pu","Enantioselective Fluorescent Recognition of Chiral Acids by Cyclohexane-1,2-diamine-Based Bisbinaphthyl Molecules","Journal of Organic Chemistry","2007","72","","4905","4916","10.1021/jo0704715","","","0.71073","MoKα","","0.0762","0.0522","","","0.0991","0.1069","","","","","","0.982","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023952","7.9953","0.0002","11.2264","0.0003","31.0421","0.0011","90","","90","","90","","2786.29","0.14","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","1-Benzoyl-2(S)-phenyl-2,3-dihydro-4(H)-pyrimidin-4-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Blanca R. Díaz-Sánchez; Martín A. Iglesias-Arteaga; Roberto Melgar-Fernández; Eusebio Juaristi","Synthesis of 2-Substituted-5-halo-2,3-dihydro-4(H)-pyrimidin-4-ones and Their Derivatization Utilizing the Sonogashira Coupling Reaction in the Enantioselective Synthesis of α-Substituted β-Amino Acids","Journal of Organic Chemistry","2007","72","","4822","4825","10.1021/jo0705115","","","0.71073","MoKα","","0.1295","0.0444","","","0.0661","0.0847","","","","","","0.983","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023953","14.4454","0.0004","7.211","0.0002","14.2431","0.0005","90","","105.992","0.001","90","","1426.23","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","1-Benzoyl-2(S)-iso-propyl-5-bromo-2,3-dihydro-4(H)-pyrimidin-4-one","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Blanca R. Díaz-Sánchez; Martín A. Iglesias-Arteaga; Roberto Melgar-Fernández; Eusebio Juaristi","Synthesis of 2-Substituted-5-halo-2,3-dihydro-4(H)-pyrimidin-4-ones and Their Derivatization Utilizing the Sonogashira Coupling Reaction in the Enantioselective Synthesis of α-Substituted β-Amino Acids","Journal of Organic Chemistry","2007","72","","4822","4825","10.1021/jo0705115","","","0.71073","MoKα","","0.0447","0.0405","","","0.0987","0.1022","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023954","10.13","0.003","26.145","0.007","11.359","0.003","90","","110.101","0.001","90","","2825.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2(S)-iso-propyl-5-phenylethynyl-2,3-dihydro-4(H)-pyrimidin-4-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C132 H120 N12 O12 -","6","3","","Blanca R. Díaz-Sánchez; Martín A. Iglesias-Arteaga; Roberto Melgar-Fernández; Eusebio Juaristi","Synthesis of 2-Substituted-5-halo-2,3-dihydro-4(H)-pyrimidin-4-ones and Their Derivatization Utilizing the Sonogashira Coupling Reaction in the Enantioselective Synthesis of α-Substituted β-Amino Acids","Journal of Organic Chemistry","2007","72","","4822","4825","10.1021/jo0705115","","","0.71073","MoKα","","0.1445","0.0474","","","0.0949","0.1321","","","","","","0.858","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023955","11.8446","0.0007","8.893","0.0005","12.8025","0.0008","90","","105.522","0.001","90","","1299.35","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C56 H40 Cl8 N16 -","4","1","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0444","0.0411","","","0.1136","0.1175","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023956","13.9531","0.0011","11.995","0.0009","14.7956","0.0012","90","","90","","90","","2476.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N4 -","- C14 H11 Cl N4 -","- C112 H88 Cl8 N32 -","8","1","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0563","0.0405","","","0.1065","0.1191","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023957","8.4703","0.001","17.6304","0.0019","6.9442","0.0007","90","","102.628","0.001","90","","1011.93","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl2 N4 -","- C8 H8 Cl2 N4 -","- C32 H32 Cl8 N16 -","4","1","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0554","0.0486","","","0.1356","0.1416","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023958","17.4807","0.0015","11.8848","0.001","14.4491","0.0012","90","","105.444","0.002","90","","2893.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 N4 -","- C15 H12 Cl2 N4 -","- C120 H96 Cl16 N32 -","8","2","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0844","0.0459","","","0.1045","0.1225","","","","","","0.996","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023959","7.5555","0.0012","12.711","0.002","14.92","0.003","98.359","0.003","103.597","0.003","97.752","0.003","1356.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C56 H40 Cl8 N16 -","4","2","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.1005","0.0618","","","0.1611","0.1865","","","","","","1.032","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023960","3.9928","0.0003","20.724","0.0014","11.2562","0.0008","90","","98.975","0.001","90","","920.01","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cl2 N4 -","- C8 H4 Cl2 N4 -","- C32 H16 Cl8 N16 -","4","1","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0472","0.0438","","","0.1194","0.124","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023961","26.452","0.0018","7.8096","0.0006","15.395","0.0011","90","","125.151","0.001","90","","2600.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H17 N7 -","- C11 H17 N7 -","- C88 H136 N56 -","8","1","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0594","0.0513","","","0.143","0.1525","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023962","11.0197","0.0004","5.7705","0.0002","16.742","0.0006","90","","105.061","0.002","90","","1028.04","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H38 O3 -","- C22 H38 O3 -","- C44 H76 O6 -","2","1","","Izabella Jastrzebska; Jamie B. Scaglione; Gregory T. DeKoster; Nigam P. Rath; Douglas F. Covey","Palladium-Catalyzed Potassium Enoxyborate Alkylation of Enantiopure Hajos-Parrish Indenone To Construct Rearranged Steroid Ring Systems","Journal of Organic Chemistry","2007","72","","4837","4843","10.1021/jo070530e","","","0.71073","MoKα","","0.0962","0.0513","","","0.0943","0.1015","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023963","9.699","0.0005","6.4806","0.0003","11.9721","0.0005","90","","100.592","0.003","90","","739.69","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C36 H52 O4 -","2","1","","Izabella Jastrzebska; Jamie B. Scaglione; Gregory T. DeKoster; Nigam P. Rath; Douglas F. Covey","Palladium-Catalyzed Potassium Enoxyborate Alkylation of Enantiopure Hajos-Parrish Indenone To Construct Rearranged Steroid Ring Systems","Journal of Organic Chemistry","2007","72","","4837","4843","10.1021/jo070530e","","","0.71073","MoKα","","0.0514","0.0392","","","0.0816","0.0869","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023964","11.2709","0.0003","15.7446","0.0005","25.9223","0.0007","90","","90","","90","","4600.1","0.2","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 N4 O4 Zn -","- C54 H52 N4 O4 Zn -","- C216 H208 N16 O16 Zn4 -","4","1","","Adeeb Al-Sheikh Ali; Ronald E. Benson; Sascha Blumentritt; T. Stanley Cameron; Anthony Linden; David Wolstenholme; Alison Thompson","Asymmetric Synthesis of Mono- and Dinuclear Bis(dipyrrinato) Complexes","Journal of Organic Chemistry","2007","72","","4947","4952","10.1021/jo070569j","","","0.71073","MoKα","","0.0664","0.046","","","0.0952","0.1036","","","","","","1.076","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023965","6.7635","0.0011","7.3462","0.0012","20.098","0.003","94.91","0.002","90.027","0.002","100.399","0.002","978.5","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","jrc2681n","","","- C21 H20 Cl F2 O2 S -","- C21 H20 Cl F2 O2 S -","- C42 H40 Cl2 F4 O4 S2 -","2","1","","Antony J. Davies; Jeremy P. Scott; Brian C. Bishop; Karel M. J. Brands; Sarah E. Brewer; Jimmy O. DaSilva; Peter G. Dormer; Ulf-H. Dolling; Andrew D. Gibb; Deborah C. Hammond; David R. Lieberman; Michael Palucki; Joseph F. Payack","A Novel Crystallization-Induced Diastereomeric Transformation Based on a Reversible Carbon-Sulfur Bond Formation. Application to the Synthesis of a γ-Secretase Inhibitor","Journal of Organic Chemistry","2007","72","","4864","4871","10.1021/jo0705925","","","0.71073","MoKα","","0.0836","0.0509","","","0.1175","0.1376","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023966","27.617","0.012","9.77","0.004","14.938","0.006","90","","96.238","0.012","90","","4007","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Cl F2 O2 S -","- C21 H21 Cl F2 O2 S -","- C168 H168 Cl8 F16 O16 S8 -","8","1","","Antony J. Davies; Jeremy P. Scott; Brian C. Bishop; Karel M. J. Brands; Sarah E. Brewer; Jimmy O. DaSilva; Peter G. Dormer; Ulf-H. Dolling; Andrew D. Gibb; Deborah C. Hammond; David R. Lieberman; Michael Palucki; Joseph F. Payack","A Novel Crystallization-Induced Diastereomeric Transformation Based on a Reversible Carbon-Sulfur Bond Formation. Application to the Synthesis of a γ-Secretase Inhibitor","Journal of Organic Chemistry","2007","72","","4864","4871","10.1021/jo0705925","","","0.71073","MoKα","","0.0809","0.053","","","0.1316","0.1475","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023967","11.3719","0.001","17.364","0.002","16.532","0.003","90","","99.11","0.005","90","","3223.4","0.7","150","2","150","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","Fraenkel 1469","","","- C32 H58 Li2 N2 -","- C32 H58 Li2 N2 -","- C128 H232 Li8 N8 -","4","1","","Gideon Fraenkel; Xiao Chen; Judith Gallucci; Yan Lu","Structural Distortions and Dynamic Behavior of the Elusive ""L""-Shaped cis-Bicyclo[3.3.0]octenyllithium: X-ray Crystallographic and NMR Studies","Journal of Organic Chemistry","2007","72","","4961","4965","10.1021/jo0706022","","x-ray","0.71073","MoKα","","0.0635","0.0544","","","0.1396","0.1471","","","","","","1.051","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023968","6.953","0.003","7.622","0.003","20.585","0.007","90","","92.578","0.006","90","","1089.9","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Dhevalapally B. Ramachary; Mamillapalli Kishor","Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland-Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence: Scope and Applications of Organocatalytic Biomimetic Reductions","Journal of Organic Chemistry","2007","72","","5056","5068","10.1021/jo070277i","","","0.71073","MoKα","","0.0986","0.068","","","0.1753","0.1966","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023969","10.194","0.003","13.671","0.003","22.72","0.006","90","","90","","90","","3166.1","1.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","","Dhevalapally B. Ramachary; Mamillapalli Kishor","Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland-Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence: Scope and Applications of Organocatalytic Biomimetic Reductions","Journal of Organic Chemistry","2007","72","","5056","5068","10.1021/jo070277i","","","0.71073","MoKα","","0.1118","0.0787","","","0.1496","0.1617","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023970","21.065","0.011","5.735","0.003","24.155","0.013","90","","108.357","0.008","90","","2770","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Cl O2 -","- C15 H17 Cl O2 -","- C120 H136 Cl8 O16 -","8","1","","Dhevalapally B. Ramachary; Mamillapalli Kishor","Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland-Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence: Scope and Applications of Organocatalytic Biomimetic Reductions","Journal of Organic Chemistry","2007","72","","5056","5068","10.1021/jo070277i","","","0.71073","MoKα","","0.074","0.0515","","","0.1197","0.1319","","","","","","1.032","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023971","7.1427","0.0007","13.7344","0.0013","13.9747","0.0014","90","","90","","90","","1370.9","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Dhevalapally B. Ramachary; Mamillapalli Kishor","Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland-Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence: Scope and Applications of Organocatalytic Biomimetic Reductions","Journal of Organic Chemistry","2007","72","","5056","5068","10.1021/jo070277i","","","0.71073","MoKα","","0.0404","0.0343","","","0.0832","0.0873","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023972","13.7063","0.0019","13.7063","0.0019","22.371","0.005","90","","90","","90","","4202.6","1.2","133","2","133","2","","","","","","","","4","I -4","I -4","82","","","","- C20 H32 N O3.5 -","- C20 H32 N O3.5 -","- C160 H256 N8 O28 -","8","1","","Frank Surup; Oliver Wagner; Jan von Frieling; Michael Schleicher; Stefanie Oess; Peter Müller; Stephanie Grond","The Iromycins, a New Family of Pyridone Metabolites from Streptomyces sp. I. Structure, NOS Inhibitory Activity, and Biosynthesis","Journal of Organic Chemistry","2007","72","","5085","5090","10.1021/jo0703303","","","0.71073","MoKα","","0.0685","0.0628","","","0.1752","0.1812","","","","","","1.118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4023973","11.835","0.01","6.627","0.005","13.806","0.012","90","0.004","102.793","0.004","90","0.004","1055.9","1.5","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C60 H40 N4 -","2","0.5","","Keiko Kawaguchi; Koji Nakano; Kyoko Nozaki","Synthesis of Ladder-Type π-Conjugated Heteroacenes via Palladium-Catalyzed Double N-Arylation and Intramolecular O-Arylation","Journal of Organic Chemistry","2007","72","","5119","5128","10.1021/jo070427p","","","0.7107","MoKα","","0.0583","0.0494","","","0.1055","0.1103","","","","","","1.218","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023974","13.802","0.011","5.824","0.005","7.345","0.006","90","","97.723","0.013","90","","585.1","0.8","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 O2 -","- C18 H10 O2 -","- C36 H20 O4 -","2","0.5","","Keiko Kawaguchi; Koji Nakano; Kyoko Nozaki","Synthesis of Ladder-Type π-Conjugated Heteroacenes via Palladium-Catalyzed Double N-Arylation and Intramolecular O-Arylation","Journal of Organic Chemistry","2007","72","","5119","5128","10.1021/jo070427p","","","0.7107","MoKα","","0.0422","0.0316","","","0.0716","0.076","","","","","","1.126","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023975","11.0547","0.0007","8.6515","0.0004","17.2969","0.0013","90","","106.756","0.003","90","","1584.03","0.17","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F N O2 S -","- C17 H16 F N O2 S -","- C68 H64 F4 N4 O8 S4 -","4","1","","Yuan-Qing Fang; Josephine Yuen; Mark Lautens","A General Modular Method of Azaindole and Thienopyrrole Synthesis via Pd-Catalyzed Tandem Couplings of gem-Dichloroolefins","Journal of Organic Chemistry","2007","72","","5152","5160","10.1021/jo070460b","","","0.71073","MoKα","","0.1185","0.0546","","","0.1276","0.1552","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023976","9.9355","0.0011","8.8757","0.0011","23.088","0.003","90","","94.968","0.003","90","","2028.4","0.4","298","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Phenyl 2,4,6-tri-O-acetyl-3-azido-3-deoxy-/b/-D-thiomannopyranoside","","- C18 H21 N3 O7 S -","- C18 H21 N3 O7 S -","- C72 H84 N12 O28 S4 -","4","2","","David Crich; Huadong Xu","Direct Stereocontrolled Synthesis of 3-Amino-3-deoxy-β-Mannopyranosides: Importance of the Nitrogen Protecting Group on Stereoselectivity","Journal of Organic Chemistry","2007","72","","5183","5192","10.1021/jo070473p","","","0.71073","MoKα","","0.283","0.1037","","","0.0899","0.1236","","","","","","0.97","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4023977","7.9728","0.0004","9.5086","0.0005","29.1573","0.0016","90","","90","","90","","2210.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Phenyl 3-azido-3-deoxy-4,6-O-[1-cyano-2-(2-iodophenyl)]ethylidene-/a/- D-thiomannopyranoside","","- C21 H19 I N4 O4 S -","- C21 H19 I N4 O4 S -","- C84 H76 I4 N16 O16 S4 -","4","1","","David Crich; Huadong Xu","Direct Stereocontrolled Synthesis of 3-Amino-3-deoxy-β-Mannopyranosides: Importance of the Nitrogen Protecting Group on Stereoselectivity","Journal of Organic Chemistry","2007","72","","5183","5192","10.1021/jo070473p","","","0.71073","MoKα","","0.0637","0.0501","","","0.1107","0.1226","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023978","9.562","0.007","9.57","0.004","17.69","0.009","90","","90","","90","","1618.8","1.6","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.2221","0.0627","","","0.0901","0.1235","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023979","5.243","0.003","8.952","0.004","32.676","0.013","90","","90","","90","","1533.8","1.3","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.0957","0.0559","","","0.1725","0.2019","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023980","6.0352","0.0005","9.1035","0.0007","33.275","0.003","90","","90","","90","","1828.2","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","","0.71073","MoKα","","0.0516","0.0408","","","0.0992","0.1065","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023981","9.2845","0.0007","5.924","0.0005","16.6375","0.0013","90","","91.433","0.001","90","","914.8","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C38 H50 N2 O12 -","2","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","","0.71073","MoKα","","0.0399","0.0328","","","0.0797","0.0838","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023982","7.1963","0.0012","14.2686","0.0013","16.3513","0.001","90","","90","","90","","1679","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.1002","0.0451","","","0.1257","0.1492","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023983","8.875","0.001","9.841","0.001","23.762","0.002","90","","90","","90","","2075.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C84 H116 N4 O24 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.1836","0.056","","","0.1419","0.1889","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023984","8.227","0.003","28.911","0.009","8.895","0.003","90","","114.81","0.03","90","","1920.4","1.1","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","2","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.1165","0.0612","","","0.1624","0.2041","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023985","7.459","0.0018","6.823","0.003","15.722","0.004","90","","98.726","0.019","90","","790.9","0.4","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.0745","0.0529","","","0.1291","0.141","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023986","7.6664","0.0012","13.2571","0.0019","18.826","0.004","90","","90","","90","","1913.3","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.0548","0.0435","","","0.1173","0.1242","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023987","8.3762","0.0011","8.4699","0.0011","10.7986","0.0014","72.614","0.002","88.855","0.003","87.956","0.003","730.61","0.16","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","5,15-Diallyl-10,20-ditolylporphyrin","","- C40 H34 N4 -","- C40 H34 N4 -","- C40 H34 N4 -","1","0.5","","Sabine Horn; Natalia N. Sergeeva; Mathias O. Senge","Conversion of Ni(II)-Allylporphyrins to α,β-Unsaturated Formylporphyrins via a Nickel-Promoted Reaction","Journal of Organic Chemistry","2007","72","","5414","5417","10.1021/jo070550g","","","0.71073","MoKα","","0.0839","0.051","","","0.1098","0.1232","","","","","","1.016","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023988","13.1375","0.0007","6.3757","0.0002","21.8859","0.001","90","","122.711","0.002","90","","1542.45","0.12","298","","","","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Pohmakotr, Manat; Thamapipol, Sirinporn; Tuchinda, Patoomratana; Prabpai, Samran; Kongsaeree, Palangpon; Reutrakul, Vichai","Morita-Baylis-Hillman Reaction of Masked 5-Alkylidene-2-cyclopentenones: General Entry to 5-Alkylidene-2-(hydroxyalkyl)-2-cyclopentenones","Journal of Organic Chemistry","2007","72","14","5418","5420","10.1021/jo0705566","","","0.71073","MoKα","","0.0775","0.0531","","","0.1291","0.145","","","","","","1.02","","","","has coordinates","178226","2020-10-21","18:00:00",""
"4023989","6.8199","0.0002","10.4955","0.0005","22.5277","0.001","90","","105.663","0.003","90","","1552.61","0.11","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Pohmakotr, Manat; Thamapipol, Sirinporn; Tuchinda, Patoomratana; Prabpai, Samran; Kongsaeree, Palangpon; Reutrakul, Vichai","Morita-Baylis-Hillman Reaction of Masked 5-Alkylidene-2-cyclopentenones: General Entry to 5-Alkylidene-2-(hydroxyalkyl)-2-cyclopentenones","Journal of Organic Chemistry","2007","72","14","5418","5420","10.1021/jo0705566","","","0.71073","MoKα","","0.0738","0.0477","","","0.1259","0.145","","","","","","1.002","","","","has coordinates","178226","2020-10-21","18:00:00",""
"4023990","11.5196","0.0015","11.3782","0.0016","23.977","0.003","90","","90","","90","","3142.7","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl N4 -","- C18 H19 Cl N4 -","- C144 H152 Cl8 N32 -","8","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.0666","0.0448","","","0.1016","0.1086","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023991","9.03","0.009","11.573","0.012","16.754","0.017","90","","94.79","0.016","90","","1745","3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N7 -","- C21 H19 N7 -","- C84 H76 N28 -","4","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.0723","0.0512","","","0.1172","0.1243","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023992","11.1235","0.0012","20.633","0.002","7.1005","0.0008","90","","111.158","0.002","90","","1519.8","0.3","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H17 Br N4 -","- C17 H17 Br N4 -","- C68 H68 Br4 N16 -","4","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.0511","0.0484","","","0.1171","0.1193","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023993","10.6146","0.0017","14.791","0.002","11.0425","0.0017","90","","116.943","0.002","90","","1545.5","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O4 S -","- C12 H22 N2 O4 S -","- C48 H88 N8 O16 S4 -","4","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.0642","0.0453","","","0.1078","0.1184","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023994","8.1233","0.0017","16.267","0.004","17.002","0.004","109.081","0.004","100.725","0.004","94.547","0.004","2062.3","0.8","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H50 N14 O13 -","- C37 H50 N14 O13 -","- C74 H100 N28 O26 -","2","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.1057","0.056","","","0.095","0.1088","","","","","","0.869","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023995","11.783","0.002","16.808","0.003","18.441","0.004","90","","93.81","0.03","90","","3644.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cl2 N6 O9 -","- C37 H26 Cl2 N6 O9 -","- C148 H104 Cl8 N24 O36 -","4","1","","Bao-Yong Hou; De-Xian Wang; Hai-Bo Yang; Qi-Yu Zheng; Mei-Xiang Wang","Synthesis and Structure of Upper-Rim 1,3-Alternate Tetraoxacalix[2]arene[2]triazine Azacrowns and Change of Cavity in Response to Fluoride Anion","Journal of Organic Chemistry","2007","72","","5218","5226","10.1021/jo0706168","","","0.71073","MoKα","","0.1474","0.0657","","","0.1635","0.2006","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023996","24.154","0.005","13.507","0.003","18.307","0.004","90","","119.35","0.03","90","","5206","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 N8 O14 -","- C48 H50 N8 O14 -","- C192 H200 N32 O56 -","4","0.5","","Bao-Yong Hou; De-Xian Wang; Hai-Bo Yang; Qi-Yu Zheng; Mei-Xiang Wang","Synthesis and Structure of Upper-Rim 1,3-Alternate Tetraoxacalix[2]arene[2]triazine Azacrowns and Change of Cavity in Response to Fluoride Anion","Journal of Organic Chemistry","2007","72","","5218","5226","10.1021/jo0706168","","","0.71073","MoKα","","0.4487","0.2236","","","0.5351","0.6645","","","","","","1.471","","","","has coordinates,has disorder","178418","2020-10-21","18:00:00",""
"4023997","9.333","0.0003","11.141","0.0005","11.281","0.0005","90","","93.341","0.003","90","","1170.99","0.08","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 N2 O12 -","- C20 H30 N2 O12 -","- C40 H60 N4 O24 -","2","1","","Gonzalo Jiménez-Osés; Carlos Aydillo; Jesús H. Busto; María M. Zurbano; Jesús M. Peregrina; Alberto Avenoza","Role of the Countercation in Diastereoselective Alkylations of Pyramidalized Bicyclic Serine Enolates. An Easy Approach to α-Benzylserine","Journal of Organic Chemistry","2007","72","","5399","5402","10.1021/jo070656b","","","0.71073","MoKα","","0.1193","0.0597","","","0.13","0.1607","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023998","9.3175","0.0003","11.1152","0.0003","11.2197","0.0004","90","","93.417","0.0015","90","","1159.91","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 N2 O12 -","- C20 H30 N2 O12 -","- C40 H60 N4 O24 -","2","1","","Gonzalo Jiménez-Osés; Carlos Aydillo; Jesús H. Busto; María M. Zurbano; Jesús M. Peregrina; Alberto Avenoza","Role of the Countercation in Diastereoselective Alkylations of Pyramidalized Bicyclic Serine Enolates. An Easy Approach to α-Benzylserine","Journal of Organic Chemistry","2007","72","","5399","5402","10.1021/jo070656b","","","0.71073","MoKα","","0.0699","0.0458","","","0.0971","0.1072","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023999","25.589","0.003","7.6701","0.0008","25.394","0.003","90","","109.309","0.0019","90","","4703.7","0.9","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H31 B2 Cl N2 -","- C26.5 H31 B2 Cl N2 -","- C212 H248 B16 Cl8 N16 -","8","1","","Cory A. Jaska; Warren E. Piers; Robert McDonald; Masood Parvez","Synthesis, Characterization, and Fluorescence Behavior of Twisted and Planar B~2~N~2~-Quaterphenyl Analogues","Journal of Organic Chemistry","2007","72","","5234","5243","10.1021/jo0706574","","","0.71073","MoKα","","0.1358","0.0723","","","0.1789","0.2148","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024000","9.901","0.002","12.982","0.006","15.803","0.007","90","","90","","90","","2031.2","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B2 Cl2 N2 -","- C21 H20 B2 Cl2 N2 -","- C84 H80 B8 Cl8 N8 -","4","1","","Cory A. Jaska; Warren E. Piers; Robert McDonald; Masood Parvez","Synthesis, Characterization, and Fluorescence Behavior of Twisted and Planar B~2~N~2~-Quaterphenyl Analogues","Journal of Organic Chemistry","2007","72","","5234","5243","10.1021/jo0706574","","","0.71073","MoKα","","0.0753","0.0457","","","0.0944","0.1082","","","","","","1.032","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024001","11.601","0.005","11.924","0.006","13.14","0.005","90","","97.31","0.03","90","","1802.9","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 B Cl N Si -","- C16 H25 B Cl N Si -","- C64 H100 B4 Cl4 N4 Si4 -","4","1","","Cory A. Jaska; Warren E. Piers; Robert McDonald; Masood Parvez","Synthesis, Characterization, and Fluorescence Behavior of Twisted and Planar B~2~N~2~-Quaterphenyl Analogues","Journal of Organic Chemistry","2007","72","","5234","5243","10.1021/jo0706574","","","0.71073","MoKα","","0.0835","0.0465","","","0.1037","0.1204","","","","","","1.012","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024002","11.683","0.003","20.619","0.004","11.111","0.007","90","","90","","90","","2676.5","1.9","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H26 B2 N2 -","- C36 H26 B2 N2 -","- C144 H104 B8 N8 -","4","0.5","","Cory A. Jaska; Warren E. Piers; Robert McDonald; Masood Parvez","Synthesis, Characterization, and Fluorescence Behavior of Twisted and Planar B~2~N~2~-Quaterphenyl Analogues","Journal of Organic Chemistry","2007","72","","5234","5243","10.1021/jo0706574","","","0.71073","MoKα","","0.06","0.0454","","","0.1188","0.1308","","","","","","1.04","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024003","8.3414","0.0005","8.5092","0.0005","18.2164","0.0011","90","","95.47","0.001","90","","1287.09","0.13","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Steven M. Mennen; Scott J. Miller","Development of a Bio-Inspired Acyl-Anion Equivalent Macrocyclization and Synthesis of a trans-Resorcylide Precursor","Journal of Organic Chemistry","2007","72","","5260","5269","10.1021/jo070676d","","","0.71073","MoKα","","0.0598","0.0575","","","0.1363","0.1407","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024004","7.351","0.0015","12.071","0.002","28.875","0.006","90","","90","","90","","2562.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,2S,3R)-methyl 1-cyano-3-(methoxycarbonyloxy)- 2,3-dimethylcyclopentanecarboxylate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","","Fraser F. Fleming; Guoqing Wei; Zhiyu Zhang; Omar W. Steward","Cyclic Oxonitriles: Stereodivergent Grignard Addition-Alkylations","Journal of Organic Chemistry","2007","72","","5270","5275","10.1021/jo070678y","","","0.71073","MoKα","","0.0642","0.0451","","","0.1168","0.1278","","","","","","1.061","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024005","6.9492","0.0004","19.5923","0.0012","11.7429","0.0007","90","","98.627","0.004","90","","1580.72","0.16","273","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R,2S,3S)-3-cyano-1,2,3-trimethylcyclopentyl 4-nitrobenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Fraser F. Fleming; Guoqing Wei; Zhiyu Zhang; Omar W. Steward","Cyclic Oxonitriles: Stereodivergent Grignard Addition-Alkylations","Journal of Organic Chemistry","2007","72","","5270","5275","10.1021/jo070678y","","","0.71073","MoKα","","0.0558","0.0439","","","0.116","0.1254","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024006","7.7823","0.0002","18.2549","0.0004","12.5769","0.0003","90","","98.899","0.001","90","","1765.23","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1S,2S,3S)-3-allyl-3-cyano-1,2-dimethyl cyclopentyl 4-nitrobenzoate","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Fraser F. Fleming; Guoqing Wei; Zhiyu Zhang; Omar W. Steward","Cyclic Oxonitriles: Stereodivergent Grignard Addition-Alkylations","Journal of Organic Chemistry","2007","72","","5270","5275","10.1021/jo070678y","","","0.71073","MoKα","","0.1054","0.0494","","","0.136","0.1766","","","","","","0.933","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024007","7.028","0.003","10.388","0.004","13.769","0.005","103.738","0.005","97.89","0.005","90.954","0.005","966","0.6","273","2","296","2","","","","","","","","4","P -1","-P 1","2","","(1R,2S,3S)3-cyano-1,2-dimethyl-3-pivaloylcyclopentyl 4-nitrobenzoate","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C40 H48 N4 O10 -","2","1","","Fraser F. Fleming; Guoqing Wei; Zhiyu Zhang; Omar W. Steward","Cyclic Oxonitriles: Stereodivergent Grignard Addition-Alkylations","Journal of Organic Chemistry","2007","72","","5270","5275","10.1021/jo070678y","","","0.71073","MoKα","","0.0932","0.0647","","","0.1857","0.2137","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024008","8.7348","0.0003","9.4474","0.0003","18.1528","0.0005","90","","90","","90","","1497.99","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O4 S -","- C14 H24 O4 S -","- C56 H96 O16 S4 -","4","1","","Paweł Chochrek; Jerzy Wicha","Expedited Approach to the Vitamin D trans-Hydrindane Building Block from the Hajos Dione. Comparative Study on Various Methods for the Selective Deoxygenation of One of the Hydroxy Groups in a Diol","Journal of Organic Chemistry","2007","72","","5276","5284","10.1021/jo070685m","","","0.71073","MoKα","","0.0249","0.0231","","","0.0624","0.0629","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024009","11.277","0.001","19.462","0.002","20.233","0.002","83.03","0.01","75.5","0.01","77.46","0.01","4186","0.7","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O2 S5 -","- C20 H16 N2 O2 S5 -","- C160 H128 N16 O16 S40 -","8","4","","Dora Demeter; Philippe Blanchard; Magali Allain; Ion Grosu; Jean Roncali","Synthesis and Metal Cation Complexing Properties of Crown-Annelated Terthiophenes Containing 3,4-Ethylenedioxythiophene","Journal of Organic Chemistry","2007","72","","5285","5290","10.1021/jo070699s","","x-ray","0.71073","MoKα","","","0.0589","","","","0.1906","","","","","","1","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024010","12.6281","0.0007","15.8244","0.0014","8.7576","0.0007","90","","90","","90","","1750","0.2","293","2","293","2","","","","","","","synthetised","5","P n a 21","P 2c -2n","33","","(±)-trans-3-t-Butyl-3-methyl-2-(diphenylphosphinoyl)oxaziridine","","- C18 H22 N O2 P -","- C18 H22 N O2 P -","- C72 H88 N4 O8 P4 -","4","1","","Cédric Boudou; Matthieu Bergès; Charlène Sagnes; Jana Sopková-de Oliveira Santos; Stéphane Perrio; Patrick Metzner","trans-(\±)-2-tert-Butyl-3-phenyloxaziridine: A Unique Reagent for the Oxidation of Thiolates into Sulfenates","Journal of Organic Chemistry","2007","72","","5403","5406","10.1021/jo070700n","","","0.71073","MoKα","","0.0883","0.047","","","0.1135","0.1311","","","","","","1.024","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024011","6.433","0.002","10.485","0.004","11.844","0.004","99.779","0.006","99.509","0.006","97.079","0.006","767","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","locked diselenide","","","- C13 H17 N O3 S Se2 -","- C13 H17 N O3 S Se2 -","- C26 H34 N2 O6 S2 Se4 -","2","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0602","0.0387","","","0.0908","0.0971","","","","","","0.995","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024012","14.909","0.01","10.839","0.007","12.948","0.009","90","","94.743","0.01","90","","2085","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","locked diselenide","","","- C15 H20 Cl3 N O3 S Se2 -","- C15 H20 Cl3 N O3 S Se2 -","- C60 H80 Cl12 N4 O12 S4 Se8 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0703","0.0542","","","0.1535","0.1581","","","","","","1.233","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4024013","6.9359","0.0007","10.7681","0.001","17.6827","0.0017","99.317","0.002","92.479","0.002","94.647","0.002","1296.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","locked bridged bicyclic diselenide","","","- C21 H35 N O4 S Se2 Si -","- C21 H35 N O4 S Se2 Si -","- C42 H70 N2 O8 S2 Se4 Si2 -","2","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0753","0.0568","","","0.1697","0.1856","","","","","","1.005","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024014","22.522","0.002","6.4039","0.0007","19.181","0.002","90","","108.572","0.002","90","","2622.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","locked brideged bicyclic diselenide","","","- C21 H35 N O4 S Se2 Si -","- C21 H35 N O4 S Se2 Si -","- C84 H140 N4 O16 S4 Se8 Si4 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0684","0.0413","","","0.0901","0.0974","","","","","","1.012","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024015","7.4659","0.0014","10.0299","0.0019","18.094","0.003","105.316","0.003","90.727","0.003","97.353","0.003","1294.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","locked bridged bicyclic diselenide","","","- C21 H34 N O4 S Se2 Si -","- C21 H34 N O4 S Se2 Si -","- C42 H68 N2 O8 S2 Se4 Si2 -","2","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0792","0.0482","","","0.1115","0.1219","","","","","","1.006","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024016","6.306","0.002","12.924","0.004","21.47","0.007","90","","98.349","0.006","90","","1731.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","locked bridged bicyclic diselenide","","","- C15 H21 N O3 S Se2 -","- C15 H21 N O3 S Se2 -","- C60 H84 N4 O12 S4 Se8 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0749","0.0519","","","0.1281","0.1383","","","","","","1.043","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024017","6.2232","0.0013","7.9631","0.0016","18.61","0.004","93.496","0.003","97.839","0.003","108.762","0.003","859.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","locked diselenide","","","- C15 H21 N O3 S Se2 -","- C15 H21 N O3 S Se2 -","- C30 H42 N2 O6 S2 Se4 -","2","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0724","0.049","","","0.1091","0.1259","","","","","","1.064","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024018","12.618","0.002","10.818","0.0019","13.255","0.002","90","","105.468","0.003","90","","1743.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","locked bridged bicyclic diselenide","","","- C15 H21 N O3 S Se2 -","- C15 H21 N O3 S Se2 -","- C60 H84 N4 O12 S4 Se8 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0493","0.0332","","","0.0737","0.078","","","","","","1","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024019","12.7759","0.0017","13.2442","0.0018","13.9926","0.0018","65.201","0.002","70.241","0.002","87.15","0.002","2011","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","locked bridged bicyclic diselenide","","","- C17 H25 N O3 S Se2 -","- C17 H25 N O3 S Se2 -","- C68 H100 N4 O12 S4 Se8 -","4","2","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0841","0.0441","","","0.0886","0.098","","","","","","0.939","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024020","13.041","0.003","14.234","0.003","18.825","0.004","90","","90","","90","","3494.3","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","acyclic amino diselenide","","","- C26 H40 N2 O4 S2 Se2 -","- C26 H40 N2 O4 S2 Se2 -","- C104 H160 N8 O16 S8 Se8 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0949","0.0585","","","0.1209","0.1328","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024021","10.6937","0.0008","14.3941","0.0011","23.1336","0.0018","90","","90","","90","","3560.9","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyclic amino diselenide","","","- C34 H38 N2 O6 S2 Se2 -","- C34 H38 N2 O6 S2 Se2 -","- C136 H152 N8 O24 S8 Se8 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0586","0.0391","","","0.0778","0.083","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024022","8.0203","0.0012","19.603","0.003","7.4796","0.0011","90","","95.03","0.003","90","","1171.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Biao Lu; Bao Wang; Yihua Zhang; Dawei Ma","CuI-Catalyzed Domino Process to 2,3-Disubstituted Benzofurans from 1-Bromo-2-Iodobenzenes and β-Keto Esters","Journal of Organic Chemistry","2007","72","","5337","5341","10.1021/jo070729r","","","0.71073","MoKα","","0.1187","0.059","","","0.1287","0.1477","","","","","","0.897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024023","7.6149","0.0006","8.552","0.0016","16.5755","0.0019","90","","90","","90","","1079.4","0.3","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Arnaud Voituriez; Franck Ferreira; Fabrice Chemla","Short and Efficient Asymmetric Synthesis of (-)-α-Conhydrine","Journal of Organic Chemistry","2007","72","","5358","5361","10.1021/jo070760t","","","0.71073","MoKα","","0.0664","0.0384","","0.0664","0.0452","0.0452","","","","","","1.0739","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024024","8.3168","0.0007","10.6073","0.0005","12.5903","0.0005","113.497","0.004","97.859","0.004","96.784","0.005","990.65","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","dimethyl 4-tert-butyl-4-[(2,2-dimethylpropanoyl)oxy]-2,5-heptadiynedioate","","- C18 H24 O6 -","- C18 H24 O6 -","- C36 H48 O12 -","2","1","","David Tejedor; Sara López-Tosco; Javier González-Platas; Fernando García-Tellado","Metal-Free Access to Fully Substituted Skipped Diynes. An Efficient Chemodifferentiating A~2~BB' 4CR Manifold","Journal of Organic Chemistry","2007","72","","5454","5456","10.1021/jo070764y","","","0.71073","MoKα","","0.0826","0.0585","","","0.159","0.1804","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024025","11.5494","0.0007","26.2674","0.0017","32.45","0.002","90","","96.146","0.002","90","","9787.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DNUDCC","1,8-Di(1-naphthalenyl)ureayl-3,6-dichloro-carbazole","","- C52 H62 Cl2 N6 O4 -","- C52 H62 Cl2 N6 O4 -","- C416 H496 Cl16 N48 O32 -","8","2","","T. Daniel Thangadurai; N. Jiten Singh; In-Chul Hwang; Jung Woo Lee; R. Prakash Chandran; Kwang S. Kim","2-Dimensional Analytic Approach for Anion Differentiation with Chromofluorogenic Receptors","Journal of Organic Chemistry","2007","72","","5461","5464","10.1021/jo070791o","","","0.71073","MoKα","","0.3114","0.1304","","","0.2754","0.36","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024026","8.029","0.004","21.941","0.011","22.644","0.011","89.142","0.01","87.969","0.01","83.571","0.011","3961","3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F5 N3 O2 -","- C12 H8 F5 N3 O2 -","- C144 H96 F60 N36 O24 -","12","6","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.1299","0.0769","","","0.1364","0.1541","","","","","","1.085","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024027","10.093","0.006","12.396","0.005","9.72","0.004","90","","118.31","0.05","90","","1070.6","1","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","?","- C9 H15 N3 O2 -","- C36 H60 N12 O8 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","1.5418","CuKalpha","","","0.051","","","0.089","","","","","3.19","3.19","","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024028","18.987","0.004","24.295","0.005","9.2123","0.0015","90","","90","","90","","4249.6","1.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C176 H176 N48 O32 -","16","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0428","0.0405","","","0.095","0.0965","","","","","","1.086","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024029","9.8932","0.0017","18.614","0.003","12.621","0.002","90","","103.651","0.003","90","","2258.5","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 N3 O2 -","- C9 H15 N3 O2 -","- C72 H120 N24 O16 -","8","2","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0916","0.0878","","","0.1953","0.1975","","","","","","1.223","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024030","18.3407","0.0014","5.3308","0.0004","12.262","0.0009","90","","102.161","0.001","90","","1171.96","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0644","0.06","","","0.1319","0.1344","","","","","","1.211","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024031","18.235","0.005","5.3898","0.0016","12.383","0.004","90","","102.068","0.005","90","","1190.1","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.1083","0.1012","","","0.1942","0.1977","","","","","","1.279","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024032","15.29","0.01","6.194","0.005","11.358","0.008","90","","101.521","0.012","90","","1054.1","1.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C32 H52 N12 O8 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.268","0.1198","","","0.2738","0.3431","","","","","","0.99","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024033","21.669","0.006","8.3096","0.0019","12.758","0.003","90","","113.409","0.007","90","","2108.1","0.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 F5 N3 O2 -","- C10 H4 F5 N3 O2 -","- C80 H32 F40 N24 O16 -","8","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0405","0.0369","","","0.1027","0.1053","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024034","5.7577","0.0011","21.95","0.004","6.565","0.0013","90","","100.338","0.004","90","","816.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N3 O2 -","- C7 H11 N3 O2 -","- C28 H44 N12 O8 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0462","0.0409","","","0.1124","0.1164","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024035","9.929","0.004","11.108","0.005","11.655","0.005","90","","108.274","0.007","90","","1220.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N3 O2 -","- C10 H17 N3 O2 -","- C40 H68 N12 O8 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.1236","0.0812","","","0.1746","0.1963","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024036","18.767","0.004","10.205","0.002","5.6858","0.0012","90","","93.557","0.004","90","","1086.8","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0406","0.0358","","","0.0943","0.0966","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024037","20.498","0.005","9.317","0.003","5.9004","0.0015","90","","93.759","0.005","90","","1124.4","0.5","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0988","0.0716","","","0.1692","0.1867","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024039","13.8073","0.0016","25.597","0.003","14.0108","0.0016","90","","90","","90","","4951.8","1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F5 N3 O2 -","- C11 H6 F5 N3 O2 -","- C176 H96 F80 N48 O32 -","16","4","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0845","0.0796","","","0.1645","0.1668","","","","","","1.297","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024040","16.123","0.005","7.045","0.005","21.453","0.005","90","0.005","106.869","0.005","90","0.005","2331.9","1.9","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H17 F5 N3 O2 -","- C25 H17 F5 N3 O2 -","- C100 H68 F20 N12 O8 -","4","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71069","MoKα","","0.1907","0.1026","","","0.1994","0.2384","","","","","","1.063","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024041","7.926","","13.267","","14.196","","90","","90.08","","90","","1492.6","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 O10 S -","- C28 H34 O10 S -","- C56 H68 O20 S2 -","2","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0817","0.053","","","0.1432","0.1689","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024042","11.111","","13.059","","15.198","","90","","90","","90","","2205.1","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 S -","- C20 H28 O8 S -","- C80 H112 O32 S4 -","4","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0923","0.0473","","","0.145","0.1842","","","","","","0.756","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024043","10.843","","7.3","","11.813","","90","","90.36","","90","","935","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O8 S -","- C17 H21 N O8 S -","- C34 H42 N2 O16 S2 -","2","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0413","0.0366","","","0.1623","0.1713","","","","","","0.85","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024044","27.9054","0.0014","27.9054","0.0014","9.5055","0.0005","90","","90","","120","","6410.4","0.6","295","2","295","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C28 H30 O11 S -","- C28 H30 O11 S -","- C252 H270 O99 S9 -","9","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0481","0.0415","","","0.1009","0.1157","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024045","9.341","","10.7","","12.856","","101.34","","93.88","","90.82","","1256.5","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H26 O11 S -","- C22 H26 O11 S -","- C44 H52 O22 S2 -","2","2","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.1079","0.0505","","","0.1131","0.1329","","","","","","1.048","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024046","7.719","0.003","5.0376","0.0017","15.66","0.005","90","","92.889","0.005","90","","608.1","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 Cl2 F8 -","- C14 Cl2 F8 -","- C28 Cl4 F16 -","2","0.5","","John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley","9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors","Journal of Organic Chemistry","2007","72","","5567","5573","10.1021/jo070404a","","","0.71073","MoKα","","0.059","0.0399","","","0.0952","0.1066","","","","","","1.018","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024047","12.61","0.003","6.7441","0.0019","22.242","0.006","90","","90","","90","","1891.5","0.9","168","2","168","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H10 F8 -","- C26 H10 F8 -","- C104 H40 F32 -","4","0.5","","John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley","9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors","Journal of Organic Chemistry","2007","72","","5567","5573","10.1021/jo070404a","","","0.71073","MoKα","","0.0681","0.0428","","","0.0988","0.1145","","","","","","1.048","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024048","9.765","0.005","11.955","0.005","11.725","0.005","90","0.005","98.873","0.005","90","0.005","1352.4","1.1","193","2","193","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 F8 O4 -","- C15 F8 O4 -","- C60 F32 O16 -","4","1","","John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley","9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors","Journal of Organic Chemistry","2007","72","","5567","5573","10.1021/jo070404a","","","0.71069","MoKα","","0.0366","0.0283","","","0.0689","0.0708","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024049","10.6859","0.0007","11.3239","0.0007","12.033","0.0008","98.383","0.002","107.507","0.002","107.461","0.002","1279.27","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 Cl N2 -","- C35 H25 Cl N2 -","- C70 H50 Cl2 N4 -","2","1","","Mateo Alajarín; Baltasar Bonillo; Pilar Sánchez-Andrada; Ángel Vidal; Delia Bautista","Intramolecular Ketenimine-Ketenimine [2 + 2] and [4 + 2] Cycloadditions","Journal of Organic Chemistry","2007","72","","5863","5866","10.1021/jo0704661","","","0.71073","MoKα","","0.0715","0.0475","","","0.0816","0.0879","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024050","13.5954","0.0009","13.0422","0.0009","16.1307","0.0011","90","","98.497","0.002","90","","2828.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N2 O2 -","- C40 H28 N2 O2 -","- C160 H112 N8 O8 -","4","1","","Mateo Alajarín; Baltasar Bonillo; Pilar Sánchez-Andrada; Ángel Vidal; Delia Bautista","Intramolecular Ketenimine-Ketenimine [2 + 2] and [4 + 2] Cycloadditions","Journal of Organic Chemistry","2007","72","","5863","5866","10.1021/jo0704661","","","0.71073","MoKα","","0.1018","0.0581","","","0.0844","0.0967","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024051","14.0033","0.0009","19.9207","0.0012","11.629","0.0007","90","","93.677","0.003","90","","3237.3","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","amine addition","4-((benzyl(methyl)amino)(phenyl)methyl)oxazolidin-2-one","","- C18 H19 N2 O2 -","- C18 H19.855 N2 O2 -","- C144 H158.84 N16 O16 -","8","2","","Renmao Liu; Steven R. Herron; Steven A. Fleming","Copper-Catalyzed Tethered Aziridination of Unsaturated N-Tosyloxy Carbamates","Journal of Organic Chemistry","2007","72","","5587","5591","10.1021/jo0705014","","","0.71073","MoKα","","0.0993","0.0667","","","0.2059","0.2286","","","","","","1.49","","","","has coordinates,has disorder","178419","2020-10-21","18:00:00",""
"4024052","6.8765","0.0013","7.0185","0.0013","28.58","0.005","90","","92.844","0.002","90","","1377.6","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","amine addition","4-(2-(benzyl(methyl)amino)propan-2-yl)oxazolidin-2-one","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","1","","Renmao Liu; Steven R. Herron; Steven A. Fleming","Copper-Catalyzed Tethered Aziridination of Unsaturated N-Tosyloxy Carbamates","Journal of Organic Chemistry","2007","72","","5587","5591","10.1021/jo0705014","","","0.71073","MoKα","","0.1055","0.0747","","","0.1963","0.2261","","","","","","1.056","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024053","9.0091","0.0015","15.194","0.004","16.428","0.002","90","","90","","90","","2248.7","0.8","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cl N4 -","- C9 H17 Cl N4 -","- C72 H136 Cl8 N32 -","8","2","","Deniz Akalay; Gerd Dürner; Jan W. Bats; Michael Bolte; Michael W. Göbel","Synthesis of C~2~-Symmetric Bisamidines: A New Type of Chiral Metal-Free Lewis Acid Analogue Interacting with Carbonyl Groups","Journal of Organic Chemistry","2007","72","","5618","5624","10.1021/jo070534j","","","0.71073","MoKα","","0.0947","0.0461","","","0.0798","0.0937","","","","","","1.019","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024054","13.068","0.005","12.86","0.003","13.187","0.003","90","","111.22","0.03","90","","2065.8","1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H34 N10 O14 -","- C43 H34 N10 O14 -","- C86 H68 N20 O28 -","2","1","","Deniz Akalay; Gerd Dürner; Jan W. Bats; Michael Bolte; Michael W. Göbel","Synthesis of C~2~-Symmetric Bisamidines: A New Type of Chiral Metal-Free Lewis Acid Analogue Interacting with Carbonyl Groups","Journal of Organic Chemistry","2007","72","","5618","5624","10.1021/jo070534j","","","0.71073","MoKα","","0.1305","0.05","","","0.0689","0.0843","","","","","","1.025","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024055","9.4491","0.0008","17.214","0.003","14.6652","0.0016","90","","102.537","0.008","90","","2328.5","0.5","159","2","159","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F6 N4 P -","- C7 H13 F6 N4 P -","- C56 H104 F48 N32 P8 -","8","2","","Deniz Akalay; Gerd Dürner; Jan W. Bats; Michael Bolte; Michael W. Göbel","Synthesis of C~2~-Symmetric Bisamidines: A New Type of Chiral Metal-Free Lewis Acid Analogue Interacting with Carbonyl Groups","Journal of Organic Chemistry","2007","72","","5618","5624","10.1021/jo070534j","","","0.71073","MoKα","","0.0565","0.0424","","","0.0981","0.1065","","","","","","1.089","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024056","8.3429","0.0012","10.1851","0.0011","11.0769","0.0018","90","","92.149","0.012","90","","940.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cl N4 -","- C7 H13 Cl N4 -","- C28 H52 Cl4 N16 -","4","1","","Deniz Akalay; Gerd Dürner; Jan W. Bats; Michael Bolte; Michael W. Göbel","Synthesis of C~2~-Symmetric Bisamidines: A New Type of Chiral Metal-Free Lewis Acid Analogue Interacting with Carbonyl Groups","Journal of Organic Chemistry","2007","72","","5618","5624","10.1021/jo070534j","","","0.71073","MoKα","","0.0335","0.0314","","","0.08","0.0814","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024057","11.3159","0.0018","7.5465","0.0012","21.013","0.003","90","","90","","90","","1794.4","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N3 -","- C10 H11 N3 -","- C80 H88 N24 -","8","1","","Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier","BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron","Journal of Organic Chemistry","2007","72","","5637","5646","10.1021/jo0705420","","","0.71073","MoKα","","0.0496","0.0435","","","0.122","0.1271","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024058","12.5847","0.0009","15.0987","0.0011","9.6289","0.0007","90","","98.961","0.001","90","","1807.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B N3 O -","- C22 H20 B N3 O -","- C88 H80 B4 N12 O4 -","4","1","","Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier","BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron","Journal of Organic Chemistry","2007","72","","5637","5646","10.1021/jo0705420","","","0.71073","MoKα","","0.0595","0.0465","","","0.124","0.1316","","","","","","1.075","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024059","12.7082","0.0012","15.4722","0.0014","9.3613","0.0009","90","","97.495","0.001","90","","1824.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B N3 -","- C22 H20 B N3 -","- C88 H80 B4 N12 -","4","1","","Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier","BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron","Journal of Organic Chemistry","2007","72","","5637","5646","10.1021/jo0705420","","","0.71073","MoKα","","0.0624","0.0468","","","0.1281","0.139","","","","","","1.068","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024060","13.315","0.004","15.279","0.004","9.319","0.002","90","","92.567","0.004","90","","1894","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 B F3 N3 -","- C22 H17 B F3 N3 -","- C88 H68 B4 F12 N12 -","4","1","","Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier","BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron","Journal of Organic Chemistry","2007","72","","5637","5646","10.1021/jo0705420","","","0.71073","MoKα","","0.0983","0.054","","","0.127","0.1443","","","","","","1.031","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024061","13.5897","0.0002","14.3599","0.0002","9.2557","0.0002","90","","90","","90","","1806.22","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 B N4 -","- C22 H17 B N4 -","- C88 H68 B4 N16 -","4","1","","Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier","BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron","Journal of Organic Chemistry","2007","72","","5637","5646","10.1021/jo0705420","","","1.54178","CuKα","","0.0267","0.0251","","","0.0652","0.0662","","","","","","0.988","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024062","10.563","0.004","9.543","0.004","15.602","0.006","90","","106.986","0.006","90","","1504.2","1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F9 N2 O -","- C14 H9 F9 N2 O -","- C56 H36 F36 N8 O4 -","4","1","","Hiroyuki Suzuki; Norio Sakai; Ryohei Iwahara; Takayuki Fujiwaka; Mitsunobu Satoh; Akikazu Kakehi; Takeo Konakahara","Novel Synthesis of 7-Fluoro-8-(trifluoromethyl)-1H-1,6-naphthyridin-4-one Derivatives: Intermolecular Cyclization of an N-Silyl-1-azaallyl Anion with Perfluoroalkene and Subsequent Intramolecular Skeletal Transformation of the Resulting Pentasubstituted Pyridines","Journal of Organic Chemistry","2007","72","","5878","5881","10.1021/jo070564m","","","0.71073","MoKα","","0.1315","0.1017","","","0.2729","0.3046","","","","","","0.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024063","5.1074","0.0014","17.39","0.005","12.98","0.003","90","","100.79","0.005","90","","1132.5","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F4 N2 O -","- C12 H9 F4 N2 O -","- C48 H36 F16 N8 O4 -","4","1","","Hiroyuki Suzuki; Norio Sakai; Ryohei Iwahara; Takayuki Fujiwaka; Mitsunobu Satoh; Akikazu Kakehi; Takeo Konakahara","Novel Synthesis of 7-Fluoro-8-(trifluoromethyl)-1H-1,6-naphthyridin-4-one Derivatives: Intermolecular Cyclization of an N-Silyl-1-azaallyl Anion with Perfluoroalkene and Subsequent Intramolecular Skeletal Transformation of the Resulting Pentasubstituted Pyridines","Journal of Organic Chemistry","2007","72","","5878","5881","10.1021/jo070564m","","","0.71073","MoKα","","0.0727","0.058","","","0.152","0.1625","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024064","20.8895","0.0009","5.2252","0.0002","14.8559","0.0006","90","","131.117","0.002","90","","1221.62","0.09","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1","","","- C12 H8 N6 O2 S -","- C12 H8 N6 O2 S -","- C48 H32 N24 O8 S4 -","4","0.5","","Alan R. Katritzky; Levan Khelashvili; Khanh N. B. Le; Prabhu P. Mohapatra; Peter J. Steel","Synthesis of o-Sulfamidotriazobenzenes from 1,1'-Sulfonylbis(benzotriazole)","Journal of Organic Chemistry","2007","72","","5805","5808","10.1021/jo0705723","","","0.71073","MoKα","","0.031","0.0263","","","0.0647","0.068","","","","","","1.038","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024065","10.1479","0.0003","10.2295","0.0003","14.7132","0.0004","90","","99.468","0.001","90","","1506.54","0.07","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2a","","","- C14 H21 N5 O2 S -","- C14 H21 N5 O2 S -","- C56 H84 N20 O8 S4 -","4","1","","Alan R. Katritzky; Levan Khelashvili; Khanh N. B. Le; Prabhu P. Mohapatra; Peter J. Steel","Synthesis of o-Sulfamidotriazobenzenes from 1,1'-Sulfonylbis(benzotriazole)","Journal of Organic Chemistry","2007","72","","5805","5808","10.1021/jo0705723","","","0.71073","MoKα","","0.0316","0.0298","","","0.0846","0.0865","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024066","9.093","0.0013","15.335","0.002","17.377","0.003","90","","90.224","0.002","90","","2423.1","0.6","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H56 O12 P2 -","- C55 H56 O12 P2 -","- C110 H112 O24 P4 -","2","1","","Davide Bello; Tashfeen Aslam; Geert Bultynck; Alexandra M. Z. Slawin; H. Llewelyn Roderick; Martin D. Bootman; Stuart J. Conway","Synthesis and Biological Action of Novel 4-Position-Modified Derivatives of D-myo-Inositol 1,4,5-Trisphosphate","Journal of Organic Chemistry","2007","72","","5647","5659","10.1021/jo070611a","","","0.71073","MoKα","","0.0305","0.03","","","0.0766","0.0774","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024067","12.19","0.001","15.244","0.001","17.299","0.001","87.518","0.01","71.966","0.01","82.401","0.01","3029.8","0.4","293","2","293","2","","","","","","","Jonny Slatt, Unit for Organic Chemistry, CNT, Dep. of Biosciences at Novum, Karolinska Institute, Novum Research Park, SE-141 57 Huddinge, Sweden","4","P -1","-P 1","2","","","","- C32 H33 N5 O5 -","- C32 H33 N5 O5 -","- C128 H132 N20 O20 -","4","2","","Niklas Wahlström; Johnny Slätt; Birgitta Stensland; Anne Ertan; Jan Bergman; Tomasz Janosik","Synthetic Applications of Cyanoacetylated Bisindoles: Synthesis of Novel Cycloheptadiindoles, Indolocarbazoles, and Related Aza Analogues","Journal of Organic Chemistry","2007","72","","5886","5889","10.1021/jo0706729","","","0.71073","MoKα","","0.1842","0.0661","","","0.1676","0.2035","","","","","","0.838","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024068","10.4553","0.0009","23.32","0.002","13.9462","0.0012","90","","92.526","0.006","90","","3397","0.5","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H46 O6 -","- C38 H46 O6 -","- C152 H184 O24 -","4","2","","Masayuki Yamashita; Navnath Dnyanoba Yadav; Takeshi Sawaki; Ikuko Takao; Ikuo Kawasaki; Yasuko Sugimoto; Akemi Miyatake; Kousuke Murai; Ayano Takahara; Ai Kurume; Shunsaku Ohta","Asymmetric Total Synthesis of (-)-Linderol A","Journal of Organic Chemistry","2007","72","","5697","5703","10.1021/jo070682+","","","1.54187","CuKα","","","0.0492","","","","0.147","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024069","8.0442","0.0008","9.0713","0.0009","18.9881","0.0018","90","","91.249","0.006","90","","1385.3","0.2","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O6 -","- C32 H34 O6 -","- C64 H68 O12 -","2","1","","Masayuki Yamashita; Navnath Dnyanoba Yadav; Takeshi Sawaki; Ikuko Takao; Ikuo Kawasaki; Yasuko Sugimoto; Akemi Miyatake; Kousuke Murai; Ayano Takahara; Ai Kurume; Shunsaku Ohta","Asymmetric Total Synthesis of (-)-Linderol A","Journal of Organic Chemistry","2007","72","","5697","5703","10.1021/jo070682+","","","1.54187","CuKα","","","0.0499","","","","0.1432","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024070","7.4451","0.0001","14.8116","0.0003","16.3139","0.0004","90","","90","","90","","1799","0.06","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Susan A. Garner; Michael J. Krische","Rhodium-Catalyzed Reductive Mannich Coupling of Vinyl Ketones to N-Sulfonylimines Mediated by Hydrogen","Journal of Organic Chemistry","2007","72","","5843","5846","10.1021/jo070779w","","","0.71073","MoKα","","0.0334","0.0287","","","0.0695","0.0729","","","","","","0.981","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024071","10.224","0.005","9.366","0.005","16.942","0.009","90","0","92.86","0.04","90","0","1620.4","1.4","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O2 -","- C38 H52 N2 O2 -","- C76 H104 N4 O4 -","2","1","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0878","0.0677","","","0.186","0.2183","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024072","9.567","0.002","10.794","0.002","23.003","0.006","90","0","90","0","90","0","2375.3","0.9","298","2","298","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C100 H140 N4 O12 -","4","1","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.1008","0.0614","","","0.1667","0.2012","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024073","10.6078","0.0003","11.6253","0.0003","13.1419","0.0003","90","","92.734","0.002","90","","1618.8","0.07","95","2","95","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","2","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0519","0.0367","","","0.0782","0.0846","","","","","","0.978","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024074","8.633","0.003","9.999","0.003","13.048","0.005","90","0","95.02","0.03","90","0","1122","0.7","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N2 O4 -","- C23 H32 N2 O4 -","- C46 H64 N4 O8 -","2","1","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0453","0.0402","","","0.0965","0.1016","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024075","13.4677","0.0017","14.3805","0.0015","17.864","0.002","90","","90","","90","","3459.7","0.7","100","2","95","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C144 H192 N16 O24 -","8","2","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0417","0.0329","","","0.0756","0.0801","","","","","","0.997","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024076","9.395","0.003","11.052","0.004","13.035","0.004","106.77","0.03","91.97","0.03","93.72","0.03","1291.2","0.8","298","2","298","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C26 H38 N2 O4 -","- C26 H38 N2 O4 -","- C52 H76 N4 O8 -","2","2","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0462","0.0416","","","0.1127","0.1168","","","","","","1.042","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024077","10.1622","0.0003","11.5565","0.0004","16.7153","0.0007","70.356","0.001","73.339","0.001","64.827","0.002","1649.3","0.1","113.2","","","","","","","","","","","2","P -1","-P 1","2","","","","- C22 H24 -","- C22 H24 -","- C88 H96 -","4","2","","Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu","Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes","Journal of Organic Chemistry","2007","72","","6251","6254","10.1021/jo0701233","","","0.7107","MoKα","","","0.0544","","","","0.1526","","","","","","1.868","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024078","8.4851","0.0003","8.6692","0.0005","11.7774","0.0005","103.661","0.002","98.748","0.002","99.811","0.003","812.61","0.07","113.2","","","","","","","","","","","2","P -1","-P 1","2","","","","- C22 H24 -","- C22 H24 -","- C44 H48 -","2","1","","Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu","Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes","Journal of Organic Chemistry","2007","72","","6251","6254","10.1021/jo0701233","","","0.7107","MoKα","","","0.0577","","","","0.1719","","","","","","2.537","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024079","9.9768","0.0002","11.5045","0.0003","18.2991","0.0005","80.1604","0.0008","76.659","0.002","67.7642","0.0004","1883.52","0.08","113.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 Br2 -","- C22 H22 Br2 -","- C88 H88 Br8 -","4","2","","Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu","Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes","Journal of Organic Chemistry","2007","72","","6251","6254","10.1021/jo0701233","","","0.7107","MoKα","","","0.0379","","","","0.1048","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024080","8.593","","11.344","","11.883","","104.91","","108.71","","110.08","","938.4","","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 Br2 -","- C22 H22 Br2 -","- C44 H44 Br4 -","2","1","","Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu","Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes","Journal of Organic Chemistry","2007","72","","6251","6254","10.1021/jo0701233","","","0.71069","MoKα","","0.0436","0.0373","","","0.0978","0.1011","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024081","9.5186","0.0003","12.2793","0.0004","16.6625","0.0007","98.6777","0.0015","97.2329","0.0019","102.827","0.0011","1851.35","0.11","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H28 -","- C24 H28 -","- C96 H112 -","4","2","","Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu","Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes","Journal of Organic Chemistry","2007","72","","6251","6254","10.1021/jo0701233","","","0.71069","MoKα","","0.0696","0.0515","","","0.142","0.1531","","","","","","1.052","","","","has coordinates","209364","2020-10-21","18:00:00",""
"4024082","11.2423","0.001","11.793","0.0011","13.3567","0.001","108.197","0.002","105.652","0.005","108.365","0.002","1457.4","0.2","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H36 -","- C42 H35.651 -","- C84 H71.302 -","2","1","","Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu","Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes","Journal of Organic Chemistry","2007","72","","6251","6254","10.1021/jo0701233","","","0.71069","MoKα","","0.1156","0.0697","","","0.1803","0.2054","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024083","10.594","0.0002","11.26","0.0003","14.358","0.0003","80.293","0.001","68.793","0.0013","89.138","0.0013","1571.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 Br2 N2 O4 -","- C37 H35 Br2 N2 O4 -","- C74 H70 Br4 N4 O8 -","2","1","","Paramasivan Rajasingh; Revital Cohen; Elijah Shirman; Linda J. W. Shimon; Boris Rybtchinski","Selective Bromination of Perylene Diimides under Mild Conditions","Journal of Organic Chemistry","2007","72","","5973","5979","10.1021/jo070367n","","","0.71073","MoKα","","0.0608","0.0517","","","0.1422","0.1477","","","","","","1.063","","","","has coordinates,has disorder","178419","2020-10-21","18:00:00",""
"4024084","45.0275","0.0016","7.2114","0.0003","6.1034","0.0002","90","","95.116","0.002","90","","1973.95","0.13","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 N2 O S -","- C23 H19 F3 N2 O S -","- C92 H76 F12 N8 O4 S4 -","4","1","","José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso","Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2007","72","","5994","6005","10.1021/jo0705519","","","1.54178","CuKα","","0.0502","0.0436","","","0.1078","0.1125","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024085","9.6663","0.0013","10.7795","0.0014","10.0018","0.0012","90","","97.002","0.005","90","","1034.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O3 S2 -","- C22 H20 N2 O3 S2 -","- C44 H40 N4 O6 S4 -","2","1","","José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso","Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2007","72","","5994","6005","10.1021/jo0705519","","","1.54178","CuKα","","0.0636","0.0566","","","0.1369","0.1428","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024086","12.5771","0.0007","11.765","0.0006","15.0272","0.0008","90","","92.852","0.002","90","","2220.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H50 Cl2 N4 O2 S2 -","- C49 H50 Cl2 N4 O2 S2 -","- C98 H100 Cl4 N8 O4 S4 -","2","1","","José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso","Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2007","72","","5994","6005","10.1021/jo0705519","","","1.54178","CuKα","","0.0528","0.0444","","","0.1081","0.1138","","","","","","1.016","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024087","12.3408","0.0002","12.8642","0.0002","7.746","0.0001","90","","98.089","0.001","90","","1217.48","0.03","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-Ethyl-7-hydroxy-9-methyl-6H-benzo[c]chromen-6-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Ibrar Hussain; Van Thi Hong Nguyen; Mirza Arfan Yawer; Tuan Thanh Dang; Christine Fischer; Helmut Reinke; Peter Langer","Synthesis of Dibenzo[b,d]pyran-6-ones Based on [3 + 3] Cyclizations of 1,3-Bis(silyl enol ethers) with 3-Silyloxy-2-en-1-ones","Journal of Organic Chemistry","2007","72","","6255","6258","10.1021/jo070608r","","","0.71073","MoKα","","0.0508","0.04","","","0.1088","0.1219","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024088","8.8222","0.0014","32.448","0.005","10.488","0.0016","90","","90.097","0.002","90","","3002.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","2","","Howard E. Zimmerman; Oleg D. Mitkin","The Aza-Type-B Photochemical Rearrangement: The Role of a Second Carbonyl in Heterocyclic Photochemistry. Mechanistic and Exploratory Organic Photochemistry","Journal of Organic Chemistry","2007","72","","6091","6096","10.1021/jo0706372","","","0.71073","Mo-Kα","","0.0555","0.0499","","","0.1146","0.1172","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024089","6.7633","0.0002","13.7539","0.0004","17.2571","0.0004","90","","96.485","0.002","90","","1595.01","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,3,5-Trimehyl-10b-phenyl-2,3-dihydro-10bH-[1,3]oxazolo[2,3-a]isoquinoline","","- C40 H42 N2 O2 -","- C40 H42 N2 O2 -","- C80 H84 N4 O4 -","2","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna","Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes","Journal of Organic Chemistry","2007","72","","6316","6319","10.1021/jo070708x","","","0.71073","MoKα","","0.0345","0.0314","","","0.0773","0.08","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024090","18.3485","0.0005","16.3317","0.0004","8.575","0.0002","90","","90","","90","","2569.6","0.11","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","2,4',4'-Trimethyl-2,3-dihydrospiro(2,3-epoxy-indene-1,2'-[1,3]-oxazolidine)","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna","Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes","Journal of Organic Chemistry","2007","72","","6316","6319","10.1021/jo070708x","","","0.71073","MoKα","","0.0317","0.0301","","","0.0821","0.0837","","","","","","1.104","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024091","14.697","0.004","8.0055","0.0019","22.71","0.005","90","","91.738","0.005","90","","2670.8","1.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N3 O S -","- C32 H29 N3 O S -","- C128 H116 N12 O4 S4 -","4","1","","Jia-Qi Li; Rong-Zhen Liao; Wan-Jian Ding; Ying Cheng","Highly Efficient and Site-Selective [3 + 2] Cycloaddition of Carbene-Derived Ambident Dipoles with Ketenes for a Straightforward Synthesis of Spiro-Pyrrolidones","Journal of Organic Chemistry","2007","72","","6266","6269","10.1021/jo070759u","","","0.71073","MoKα","","0.1117","0.0458","","","0.0959","0.1207","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024092","23.149","0.003","12.4217","0.0011","18.529","0.002","90","","125.65","","90","","4329.6","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Au Cl P S -","- C25 H20 Au Cl P S -","- C200 H160 Au8 Cl8 P8 S8 -","8","1","","Yoshihiro Matano; Tooru Miyajima; Hiroshi Imahori; Yoshifumi Kimura","Synthesis of 2-Aryl-5-styrylphospholes: Promising Candidates for the Phosphole-Based NLO Chromophores","Journal of Organic Chemistry","2007","72","","6200","6205","10.1021/jo070822f","","","0.7107","MoKα","","0.023","0.0216","","","0.0487","0.0494","","","","","","1.118","","","","has coordinates,has disorder","178419","2020-10-21","18:00:00",""
"4024093","10.342","0.001","7.731","0.001","20.344","0.003","90","","100.453","0.001","90","","1599.5","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Paquette 1451","","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C60 H72 N16 O24 -","4","2","","Emel Adaligil; Barry D. Davis; David G. Hilmey; Young Shen; Jason M. Spruell; Jennifer S. Brodbelt; K. N. Houk; Leo A. Paquette","Synthesis of, and Structural Assignments to the Stereoisomers of Bis (2,2')- and Tris (2,2',2' ')-Tetrahydrofurans: Conformational Features and Ionic Binding Capacities of These Gateway Polycyclic Networks","Journal of Organic Chemistry","2007","72","","6215","6223","10.1021/jo0708238","","x-ray","0.71073","MoKα","","0.0456","0.0371","","","0.0931","0.0978","","","","","","1.031","","","","has coordinates,has disorder","178419","2020-10-21","18:00:00",""
"4024094","16.3542","0.0003","17.9863","0.0003","18.0871","0.0004","66.749","0.001","85.227","0.001","63.118","0.001","4330.46","0.14","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H86 Cl2 N4 O18 -","- C97 H86 Cl2 N4 O18 -","- C194 H172 Cl4 N8 O36 -","2","1","","Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee","Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids","Journal of Organic Chemistry","2007","72","","6232","6240","10.1021/jo070872k","","","0.71073","MoKα","","0.1919","0.0676","","","0.1406","0.1834","","","","","","0.995","","","","has coordinates,has disorder","178419","2020-10-21","18:00:00",""
"4024095","13.3598","0.0003","18.5652","0.0004","23.1445","0.0006","71.668","0.001","84.352","0.001","77.554","0.001","5318.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H120 N4 O16 S2 -","- C100 H92 N4 O16 S2 -","- C200 H184 N8 O32 S4 -","2","1","","Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee","Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids","Journal of Organic Chemistry","2007","72","","6232","6240","10.1021/jo070872k","","","0.71073","MoKα","","0.1714","0.0762","","","0.1661","0.1831","","","","","","1.202","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024096","12.5773","0.0013","13.0527","0.0014","14.9394","0.0016","103.581","0.002","103.794","0.002","113.814","0.002","2022.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O9 -","- C48 H42 N2 O9 -","- C96 H84 N4 O18 -","2","1","","Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee","Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids","Journal of Organic Chemistry","2007","72","","6232","6240","10.1021/jo070872k","","","0.71073","MoKα","","0.1533","0.0574","","","0.118","0.1523","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024097","12.1293","0.0007","13.3588","0.0008","13.7337","0.0008","68.826","0.001","83.025","0.001","75.297","0.001","2006","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 N3 O9 -","- C47 H41 N3 O9 -","- C94 H82 N6 O18 -","2","1","","Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee","Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids","Journal of Organic Chemistry","2007","72","","6232","6240","10.1021/jo070872k","","","0.71073","MoKα","","0.1738","0.061","","","0.136","0.1795","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024098","6.5412","0.0006","9.2157","0.0008","20.015","0.002","90","","90","","90","","1206.54","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1,1-dimethylethoxycarbonyl)-(pyrrolidin-2-yl)boronic acid","","- C9 H18 B N O4 -","- C9 H18 B N O4 -","- C36 H72 B4 N4 O16 -","4","1","","Andrei S. Batsanov; Christophe Grosjean; Thorben Schütz; Andrew Whiting","A (-)-Sparteine-Directed Highly Enantioselective Synthesis of Boroproline. Solid- and Solution-State Structure and Properties","Journal of Organic Chemistry","2007","72","","6276","6279","10.1021/jo0708792","","","0.71073","MoKα","","0.0326","0.0295","","","0.0735","0.075","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024099","10.8981","0.001","8.7698","0.0008","10.9656","0.001","90","","91.19","0.01","90","","1047.8","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-{(4S,5S)-4,5-diphenyl-[1,3,2]dioxaborolan-2-yl}- pyrrolidine-1-carboxylic acid tert-butyl ester","","- C23 H28 B N O4 -","- C23 H28 B N O4 -","- C46 H56 B2 N2 O8 -","2","1","","Andrei S. Batsanov; Christophe Grosjean; Thorben Schütz; Andrew Whiting","A (-)-Sparteine-Directed Highly Enantioselective Synthesis of Boroproline. Solid- and Solution-State Structure and Properties","Journal of Organic Chemistry","2007","72","","6276","6279","10.1021/jo0708792","","","0.71073","MoKα","","0.0497","0.0376","","","0.0791","0.084","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024100","9.795","0.0016","8.637","0.0018","9.836","0.0015","90","","103.874","0.012","90","","807.8","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau","Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization","Journal of Organic Chemistry","2007","72","","6280","6283","10.1021/jo0708893","","","1.5418","CuKα","","0.0422","0.0315","","","0.0711","0.078","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024101","6.7731","0.001","8.4962","0.0013","15.1193","0.0019","94.33","0.004","92.99","0.005","111.162","0.005","806.1","0.2","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau","Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization","Journal of Organic Chemistry","2007","72","","6280","6283","10.1021/jo0708893","","","1.5418","CuKα","","0.0487","0.0465","","","0.1361","0.143","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024102","8.521","0.002","9.176","0.001","17.747","0.003","90","","90","","90","","1387.6","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau","Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization","Journal of Organic Chemistry","2007","72","","6280","6283","10.1021/jo0708893","","","1.5418","CuKα","","0.0412","0.0408","","","0.1088","0.1093","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024103","10.143","0.0006","21.7743","0.0013","8.3134","0.0006","90","","105.954","0.004","90","","1765.3","0.2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau","Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization","Journal of Organic Chemistry","2007","72","","6280","6283","10.1021/jo0708893","","","1.5418","CuKα","","0.0949","0.0859","","","0.2378","0.2414","","","","","","1.064","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024104","17.415","0.003","12.538","0.002","17.415","0.003","90","","113","","90","","3500.2","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 F12 N O2 P2 S2 -","- C32 H31 F12 N O2 P2 S2 -","- C128 H124 F48 N4 O8 P8 S8 -","4","1","","Bing-Jun Zhao; Henry J. Shine; John N. Marx; Cristina Hofmann; Kenton H. Whitmire","Addition of the Phenoxathiin Cation Radical to Alkenes and Nonconjugated Dienes. Formation of (E)- and (Z)-(10-Phenoxathiiniumyl)alkenes and (E)- and (Z)-(10-Phenoxathiiniumyl)dienes on Basic Alumina","Journal of Organic Chemistry","2007","72","","6154","6161","10.1021/jo070898b","","","0.71073","MoKα","","0.0873","0.0582","","","0.1579","0.1795","","","","","","1.055","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024105","8.5232","0.0017","9.801","0.002","11.406","0.002","104.63","0.003","90.817","0.003","106.22","0.003","881.5","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 F6 O P S -","- C16 H15 F6 O P S -","- C32 H30 F12 O2 P2 S2 -","2","1","","Bing-Jun Zhao; Henry J. Shine; John N. Marx; Cristina Hofmann; Kenton H. Whitmire","Addition of the Phenoxathiin Cation Radical to Alkenes and Nonconjugated Dienes. Formation of (E)- and (Z)-(10-Phenoxathiiniumyl)alkenes and (E)- and (Z)-(10-Phenoxathiiniumyl)dienes on Basic Alumina","Journal of Organic Chemistry","2007","72","","6154","6161","10.1021/jo070898b","","","0.71073","MoKα","","0.1509","0.0845","","","0.1978","0.231","","","","","","1.026","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024106","8.083","0.001","11.4021","0.0013","14.4056","0.0017","92.201","0.004","90.443","0.004","104.495","0.005","1284.3","0.3","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C10 H17 N3 O5 -","- C10 H17 N3 O5 -","- C40 H68 N12 O20 -","4","4","","Olivier Loiseleur; Dougal Ritson; Mafalda Nina; Patrick Crowley; Trixie Wagner; Stephen Hanessian","Ring-Modified Analogues and Molecular Dynamics Studies To Probe the Requirements for Fungicidal Activities of Malayamycin A and Its N-Nucleoside Variants","Journal of Organic Chemistry","2007","72","","6353","6363","10.1021/jo070520d","","","1.54178","CuKα","","0.0506","0.0482","","","0.1284","0.1318","","","","","","1.041","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024107","11.23","0.002","13.374","0.003","25.007","0.005","90","","90","","90","","3755.8","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H26.5 N5 O6.25 -","- C15.5 H26.5 N5 O6.25 -","- C124 H212 N40 O50 -","8","2","","Olivier Loiseleur; Dougal Ritson; Mafalda Nina; Patrick Crowley; Trixie Wagner; Stephen Hanessian","Ring-Modified Analogues and Molecular Dynamics Studies To Probe the Requirements for Fungicidal Activities of Malayamycin A and Its N-Nucleoside Variants","Journal of Organic Chemistry","2007","72","","6353","6363","10.1021/jo070520d","","","1.54178","CuKα","","0.051","0.0439","","","0.0943","0.098","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024108","10.7003","0.0017","14.395","0.002","8.1812","0.0013","90","","90","","90","","1260.2","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Rodney F. Klima; Abhijit V. Jadhav; Pradeep N. D. Singh; Mingxin Chang; Christine Vanos; Jagadis Sankaranarayanan; Mai Vu; Nazarin Ibrahim; Elaine Ross; Shaun McCloskey; Rajesh S. Murthy; Jeanette A. Krause; Bruce S. Ault; Anna D. Gudmundsdóttir","Photoinduced C-N Bond Cleavage in 2-Azido-1,3-diphenyl-propan-1-one Derivatives: Photorelease of Hydrazoic Acid","Journal of Organic Chemistry","2007","72","","6372","6381","10.1021/jo070558q","","","0.71073","MoKα","","0.0606","0.0559","","","0.1295","0.1319","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024109","16.5672","0.0018","5.917","0.0006","23.228","0.003","90","","104.453","0.002","90","","2204.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Rodney F. Klima; Abhijit V. Jadhav; Pradeep N. D. Singh; Mingxin Chang; Christine Vanos; Jagadis Sankaranarayanan; Mai Vu; Nazarin Ibrahim; Elaine Ross; Shaun McCloskey; Rajesh S. Murthy; Jeanette A. Krause; Bruce S. Ault; Anna D. Gudmundsdóttir","Photoinduced C-N Bond Cleavage in 2-Azido-1,3-diphenyl-propan-1-one Derivatives: Photorelease of Hydrazoic Acid","Journal of Organic Chemistry","2007","72","","6372","6381","10.1021/jo070558q","","","0.71073","MoKα","","0.1313","0.0665","","","0.1228","0.1419","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024110","12.273","0.003","21.104","0.005","12.788","0.003","90","","101.141","0.004","90","","3249.8","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl6 N -","- C34 H33 Cl6 N -","- C136 H132 Cl24 N4 -","4","1","","Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck","C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)","Journal of Organic Chemistry","2007","72","","6382","6389","10.1021/jo070565e","","","0.71073","MoKα","","0.1091","0.058","","","0.1385","0.1773","","","","","","1.018","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024111","10.1378","0.0004","11.5653","0.0004","12.6616","0.0005","75.685","0.002","79.458","0.002","68.905","0.002","1334.77","0.09","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 O8 -","- C32 H35 O8 -","- C64 H70 O16 -","2","1","","Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck","C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)","Journal of Organic Chemistry","2007","72","","6382","6389","10.1021/jo070565e","","","0.71073","MoKα","","0.0851","0.0616","","","0.1736","0.1952","","","","","","1.212","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024112","15.031","0.0006","12.7781","0.0005","9.6823","0.0004","90","","90","","90","","1859.66","0.13","294","2","294","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C39 H50 Cl2 S6 -","- C39 H50 Cl2 S6 -","- C78 H100 Cl4 S12 -","2","0.5","","Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck","C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)","Journal of Organic Chemistry","2007","72","","6382","6389","10.1021/jo070565e","","","0.71073","MoKα","","0.0684","0.0627","","","0.171","0.1766","","","","","","1.057","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024113","11.5676","0.0009","11.7065","0.0009","17.1424","0.0015","80.568","0.004","83.11","0.004","82.016","0.004","2256.5","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H50 Cl6 S6 -","- C43 H50 Cl6 S6 -","- C86 H100 Cl12 S12 -","2","1","","Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck","C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)","Journal of Organic Chemistry","2007","72","","6382","6389","10.1021/jo070565e","","","0.71073","MoKα","","0.0797","0.057","","","0.1326","0.1498","","","","","","0.988","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024114","7.51","0.005","12.824","0.005","13.261","0.007","73.61","0.03","78.8","0.03","87.33","0.03","1201.9","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Compound 2a","4-Methoxy-10,11-dihydrocyclohepta[c]chromene-6,9-dione, compound 2a","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","2","","Marie Varin; Angéle Chiaroni; Jean-Yves Lallemand; Bogdan Iorga; Catherine Guillou","A New Access to Dihydrotropones through Ring Expansion of Spirocyclohexadienones: Synthesis and Mechanism","Journal of Organic Chemistry","2007","72","","6421","6426","10.1021/jo070594p","","","0.71073","MoKα","","0.0779","0.0486","","","0.1101","0.1272","","","","","","1.024","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024115","15.5426","0.0008","8.5151","0.0004","17.1816","0.0008","90","","90","","90","","2273.93","0.19","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","compound (6)","6-Hydroxy-2,2,5,8-tetramethylchroman","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0463","0.042","","","0.1161","0.1209","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024116","22.4807","0.0012","10.3086","0.0005","22.0953","0.0012","90","","114.706","0.001","90","","4651.8","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","compound (7)","6-Hydroxy-2,2,5,8-tetramethylchroman","","- C13 H18 O2 -","- C13 H18 O2 -","- C208 H288 O32 -","16","2","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0554","0.0462","","","0.1225","0.1309","","","","","","1.02","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024117","16.2752","0.0014","11.8402","0.001","8.8053","0.0008","90","","97.757","0.002","90","","1681.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound (8a)","4-Nitro-benzoic acid 2,2,8-trimethyl-chroman-6-yl ester","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0525","0.0429","","","0.1144","0.1231","","","","","","1.026","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024118","8.8349","0.0013","7.2041","0.0011","19.113","0.003","90","","94.448","0.003","90","","1212.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound (14)","6-Hydroxy-7-nitro-2,2,5,8-tetramethylchroman","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0656","0.043","","","0.1033","0.1146","","","","","","0.929","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024119","11.139","0.005","16.477","0.007","7.087","0.003","90","","90","","90","","1300.8","0.9","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","compound (16)","6-Hydroxy-5-nitro-2,2,7,8-tetramethylchroman","","- C13 H17 N O4 -","- C12.992 H17 N O4 -","- C51.968 H68 N4 O16 -","4","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.1635","0.0489","","","0.0956","0.1303","","","","","","0.776","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024120","6.7561","0.0014","9.35","0.0019","9.6965","0.0019","108.101","0.004","91.717","0.004","96.312","0.004","577.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","compound (23)","6-Hydroxy-5-nitro-2,2,8-trimethylchroman","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C24 H30 N2 O8 -","2","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0659","0.0495","","","0.1267","0.137","","","","","","1.06","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024121","10.4534","0.0008","14.3766","0.0011","9.4672","0.0007","90","","114.346","0.002","90","","1296.25","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound (25)","6-Hydroxy-5,7-dinitro-2,2,8-trimethylchroman","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C48 H56 N8 O24 -","4","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0475","0.0409","","","0.118","0.1232","","","","","","1.069","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024122","10.332","0.002","6.883","0.001","10.983","0.002","90","","116.71","0.02","90","","697.7","0.2","293","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H7 N3 S2 -","- C15 H7 N3 S2 -","- C30 H14 N6 S4 -","2","0.5","","Silvia Alías; Raquel Andreu; María Jesús Blesa; Santiago Franco; Javier Garín; Aurora Gragera; Jesús Orduna; Pilar Romero; Belén Villacampa; Magali Allain","Synthesis, Structure, and Optical Properties of 1,4-Dithiafulvene-Based Nonlinear Optic-phores","Journal of Organic Chemistry","2007","72","","6440","6446","10.1021/jo070694v","","x-ray","0.71073","MoKα","","","0.0411","","","","0.0878","","","","","","0.88","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024123","12.432","0.0002","16.2601","0.0003","17.7369","0.0003","74.3751","0.0009","83.9217","0.0009","74.2005","0.0008","3320.44","0.1","173.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C36 H32 O8 S4 -","- C36 H32 O8 S4 -","- C144 H128 O32 S16 -","4","4","","Takanori Shibata; Hiroshi Kurokawa; Kazumasa Kanda","Enantioselective Intramolecular [2 + 2 + 2] Cycloaddition of Enediynes for the Synthesis of Chiral Cyclohexa-1,3-dienes","Journal of Organic Chemistry","2007","72","","6521","6525","10.1021/jo070762d","","","1.54187","CuKα","","","0.0482","","","","0.0556","","","","","","6.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024124","9.968","0.001","18.833","0.003","18.415","0.003","90","","95.555","0.003","90","","3440.8","0.9","193","2","193","2","","","","","","","Lash laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 N3 Ni O2 -","- C48 H33 N3 Ni O2 -","- C192 H132 N12 Ni4 O8 -","4","1","","Timothy D. Lash; Joseph T. Szymanski; Gregory M. Ferrence","Tetraaryldimethoxybenziporphyrins. At the Edge of Carbaporphyrinoid Aromaticity","Journal of Organic Chemistry","2007","72","","6481","6492","10.1021/jo070947k","","x-ray","0.71073","MoKα","","0.084","0.0676","","","0.1895","0.2066","","","","","","1.034","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024125","8.1386","0.0003","10.7325","0.0004","15.5997","0.0006","90","","90","","90","","1362.6","0.09","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","12a","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Alan R. Katritzky; Niveen M. Khashab; Danniebelle N. Haase; Megumi Yoshioka; Ion Ghiviriga; Peter J. Steel","C-Aminoimidoylation and C-Thiocarbamoylation of Esters, Sulfones, and Ketones","Journal of Organic Chemistry","2007","72","","6742","6748","10.1021/jo070545c","","","0.71073","MoKα","","0.0248","0.0244","","","0.0665","0.0669","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024126","14.3023","0.0004","5.775","0.0002","17.5354","0.0005","90","","112.69","0.001","90","","1336.26","0.07","93","2","93","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","19a","","","- C14 H13 N O S2 -","- C14 H13 N O S2 -","- C56 H52 N4 O4 S8 -","4","1","","Alan R. Katritzky; Niveen M. Khashab; Danniebelle N. Haase; Megumi Yoshioka; Ion Ghiviriga; Peter J. Steel","C-Aminoimidoylation and C-Thiocarbamoylation of Esters, Sulfones, and Ketones","Journal of Organic Chemistry","2007","72","","6742","6748","10.1021/jo070545c","","","0.71073","MoKα","","0.0293","0.0284","","","0.0752","0.0758","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024127","10.6521","0.0009","12.8865","0.0011","25.943","0.002","95.385","0.005","91.957","0.005","100.719","0.005","3478.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H94 N8 O7 S3 -","- C74 H94 N8 O7 S3 -","- C148 H188 N16 O14 S6 -","2","1","","Simona Curreli; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Arjan W. Kleij","Facile Isolation of Bisimines Based on 3,3'-Diaminobenzidine: Direct Access to Unsymmetrical Bimetallic Salphen Building Blocks","Journal of Organic Chemistry","2007","72","","7018","7021","10.1021/jo070696f","","","0.71073","MoKα","","0.1392","0.0884","","","0.2244","0.2661","","","","","","0.991","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024128","9.5658","0.0014","8.8883","0.0013","17.097","0.003","90","","91.981","0.002","90","","1452.7","0.4","100","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F -","- C20 H17 F -","- C80 H68 F4 -","4","1","","Guan-You Lin; Chun-Yao Yang; Rai-Shung Liu","Gold-Catalyzed Synthesis of Bicyclo[4.3.0]nonadiene Derivatives via Tandem 6-endo-dig/Nazarov Cyclization of 1,6-Allenynes","Journal of Organic Chemistry","2007","72","","6753","6757","10.1021/jo0707939","","","0.71073","MoKα","","0.0584","0.0488","","","0.1312","0.139","","","","","","1.064","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024129","17.086","0.005","38.818","0.012","11.632","0.004","90","","96.54","0.005","90","","7665","4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 N3 -","- C41 H45 N3 -","- C328 H360 N24 -","8","2","","Eric L. Spitler; Sean P. McClintock; Michael M. Haley","Dynamic Proton-Induced Emission Switching in Donor-Functionalized Dehydrobenzopyrid[15]annulenes","Journal of Organic Chemistry","2007","72","","6692","6699","10.1021/jo070827c","","","0.71073","MoKα","","0.159","0.0981","","","0.2457","0.2805","","","","","","1.041","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024130","9.182","0.002","14.218","0.004","14.92","0.004","75.347","0.004","82.272","0.004","76.899","0.004","1829.2","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H49 N3 O -","- C41 H45 N3 -","- C82 H90 N6 -","2","1","","Eric L. Spitler; Sean P. McClintock; Michael M. Haley","Dynamic Proton-Induced Emission Switching in Donor-Functionalized Dehydrobenzopyrid[15]annulenes","Journal of Organic Chemistry","2007","72","","6692","6699","10.1021/jo070827c","","","0.71073","MoKα","","0.0604","0.0488","","","0.1403","0.1498","","","","","","1.051","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024131","7.3056","0.0014","9.6015","0.0018","15.749","0.003","90","","101.937","0.003","90","","1080.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N6 O2 -","- C22 H26 N6 O2 -","- C44 H52 N12 O4 -","2","0.5","","Philip C. Haussmann; Saeed I. Khan; J. Fraser Stoddart","Equilibrating Dynamic [2]Rotaxanes","Journal of Organic Chemistry","2007","72","","6708","6713","10.1021/jo0708590","","","0.71073","MoKα","","0.0677","0.0413","","","0.1005","0.1122","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024132","12.407","0.006","8.095","0.004","15.533","0.007","90","","95.256","0.008","90","","1553.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mesityl-O-S(O)(CF3)=N-SO2CF3 (3g)","","","- C11 H11 F6 N O4 S2 -","- C11 H11 F6 N O4 S2 -","- C44 H44 F24 N4 O16 S8 -","4","1","","Kenneth K. Laali; Takao Okazaki; Scott D. Bunge","N-(Trifluoromethylsulfonyl)aryloxytrifluoromethylsulfoximines [ArO-SO(CF~3~)=NTf and N-Aryltriflimides Ar-N(Tf)~2~ by Thermal and Photolytic Dediazoniation of [ArN~2~][BF~4~] in [BMIM][Tf~2~N] Ionic Liquid: Exploiting the Ambident Nucleophilic Character of a ""Nonnucleophilic"" Anion","Journal of Organic Chemistry","2007","72","","6758","6762","10.1021/jo0708801","","","0.71073","MoKα","","0.1252","0.0816","","","0.205","0.2362","","","","","","1.035","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024133","16.126","0.003","21.227","0.003","16.074","0.004","90","","90","","90","","5502.2","1.9","297","2","297","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H35 N3 O8 -","- C24 H35 N3 O8 -","- C192 H280 N24 O64 -","8","1","","Deekonda Srinivas; Rajesh Gonnade; Sapna Ravindranathan; Gangadhar J. Sanjayan","Conformationally Constrained Aliphatic-Aromatic Amino-Acid-Conjugated Hybrid Foldamers with Periodic β-Turn Motifs","Journal of Organic Chemistry","2007","72","","7022","7025","10.1021/jo0709044","","","0.71073","MoKα","","0.1093","0.0695","","","0.1492","0.1653","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024134","9.0593","0.0009","12.9316","0.0013","15.2798","0.0015","113.073","0.002","95.164","0.002","98.212","0.002","1608.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H90 N4 S2 -","- C78 H90 N4 S2 -","- C78 H90 N4 S2 -","1","0.5","","Martina Hauck; Jan Schönhaber; Anthony J. Zucchero; Kenneth I. Hardcastle; Thomas J. J. Müller; Uwe H. F. Bunz","Phenothiazine Cruciforms: Synthesis and Metallochromic Properties","Journal of Organic Chemistry","2007","72","","6714","6725","10.1021/jo070922l","","","0.71073","MoKα","","0.0926","0.0712","","","0.1704","0.1837","","","","","","1.083","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024135","7.1887","0.0001","7.5136","0.0001","9.5782","0.0001","90","","96.1275","0.0009","90","","514.392","0.011","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 Cl N O3 -","- C10 H12 Cl N O3 -","- C20 H24 Cl2 N2 O6 -","2","1","","Nicolas Joubert; Radek Pohl; Blanka Klepetářová; Michal Hocek","Modular and Practical Synthesis of 6-Substituted Pyridin-3-yl C-Nucleosides","Journal of Organic Chemistry","2007","72","","6797","6805","10.1021/jo0709504","","","1.54184","CuKα","","0.029","0.0288","","0.0328","0.0327","0.0327","","","","","","0.9217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024136","5.6723","0.0001","10.6767","0.0001","19.435","0.0001","90","","90","","90","","1177.01","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C48 H72 N8 O12 -","4","1","","Nicolas Joubert; Radek Pohl; Blanka Klepetářová; Michal Hocek","Modular and Practical Synthesis of 6-Substituted Pyridin-3-yl C-Nucleosides","Journal of Organic Chemistry","2007","72","","6797","6805","10.1021/jo0709504","","","1.54184","CuKα","","0.0401","0.034","","0.044","0.0374","0.0374","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024137","9.1592","0.0004","10.477","0.0004","12.342","0.0005","90","","90.81","0.001","90","","1184.23","0.08","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Claudia L. Molina; Chun P. Chow; Kenneth J. Shea","Intramolecular N-Acylazo Diels-Alder Reaction: Regio- and Stereoselective Synthesis of Bridgehead Bicyclic 1,2-Diazines","Journal of Organic Chemistry","2007","72","","6816","6823","10.1021/jo070978f","","","0.71073","MoKα","","0.0401","0.0347","","","0.0861","0.0905","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024138","8.9659","0.0008","13.189","0.0012","10.8474","0.001","90","","100.93","0.002","90","","1259.4","0.2","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Claudia L. Molina; Chun P. Chow; Kenneth J. Shea","Intramolecular N-Acylazo Diels-Alder Reaction: Regio- and Stereoselective Synthesis of Bridgehead Bicyclic 1,2-Diazines","Journal of Organic Chemistry","2007","72","","6816","6823","10.1021/jo070978f","","","0.71073","MoKα","","0.0418","0.0356","","","0.0891","0.0949","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024139","21.341","0.002","9.6458","0.0007","13.273","0.001","90","","90","","90","","2732.2","0.4","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa","Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes","Journal of Organic Chemistry","2007","72","","6786","6791","10.1021/jo071005i","","","1.5418","CuK'a","","","0.092","","","","0.2123","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024140","10.1187","0.0015","9.4944","0.0014","14.032","0.002","90","","97.056","0.008","90","","1337.8","0.3","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C62 H74 N2 O4 -","2","1","","Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa","Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes","Journal of Organic Chemistry","2007","72","","6786","6791","10.1021/jo071005i","","","1.54178","CuK'a","","","0.0542","","","","0.1711","","","","","","1.258","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024141","11.125","0.0008","11.125","0.0008","22.9386","0.0019","90","","90","","90","","2839","0.4","296.1","","","","","","","","","","","4","P 41","P 4w","76","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa","Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes","Journal of Organic Chemistry","2007","72","","6786","6791","10.1021/jo071005i","","","1.54187","CuK'a","","","0.0625","","","","0.189","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024142","12.434","0.002","16.122","0.003","12.667","0.002","90","","104.923","0.004","90","","2453.6","0.8","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","inv-CB6","inv-CB6","","- C36 H56.4 Cl N24 O21.7 -","- C36 H56.428 Cl N24 O21.714 -","- C72 H112.856 Cl2 N48 O43.428 -","2","1","","Simin Liu; Kimoon Kim; Lyle Isaacs","Mechanism of the Conversion of Inverted CB[6] to CB[6]","Journal of Organic Chemistry","2007","72","","6840","6847","10.1021/jo071034t","","","0.71073","MoKα","","0.0649","0.0431","","","0.0998","0.1129","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024143","10.4389","0.0018","16.491","0.003","22.816","0.004","90","","90","","90","","3927.8","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 Cl4 O4 P2 Pd Ru -","- C39 H34 Cl4 O4 P2 Pd Ru -","- C156 H136 Cl16 O16 P8 Pd4 Ru4 -","4","1","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.0459","0.0385","","","0.0732","0.0757","","","","","","0.935","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024144","10.0342","0.0006","20.4049","0.0012","42.599","0.003","90","","90","","90","","8722","0.9","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C41 H36 Cl6 O4 P2 Pd Ru -","- C41 H36 Cl5.5 O4 P2 Pd Ru -","- C328 H288 Cl44 O32 P16 Pd8 Ru8 -","8","1","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.0945","0.0673","","","0.1258","0.1399","","","","","","1.019","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024145","10.5308","0.0005","10.5308","0.0005","35.165","0.002","90","","90","","90","","3899.7","0.4","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C39 H34 Cl4 Fe O4 P2 Pd -","- C39 H34 Cl4 Fe O4 P2 Pd -","- C156 H136 Cl16 Fe4 O16 P8 Pd4 -","4","1","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.06","0.0468","","","0.1021","0.1161","","","","","","0.915","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024146","10.4928","0.0006","17.4542","0.001","21.2109","0.0013","90","","91.888","0.001","90","","3882.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40.5 H37 Cl3 Fe O4 P2 Pd -","- C40.5 H37 Cl3 Fe O4 P2 Pd -","- C162 H148 Cl12 Fe4 O16 P8 Pd4 -","4","2","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.0694","0.0502","","","0.1101","0.1336","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024147","23.419","0.004","11.296","0.002","12.658","0.002","90","","90","","90","","3348.5","1","165","2","165","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C34 H28 Ag F3 N O5 P S2 -","- C34 H28 Ag F3 N O5 P S2 -","- C136 H112 Ag4 F12 N4 O20 P4 S8 -","4","1","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.1412","0.1192","","","0.2748","0.2803","","","","","","1.984","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024148","10.5853","0.0003","14.0278","0.0004","14.5458","0.0004","63.584","0.001","86.746","0.002","72.257","0.002","1834.47","0.09","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H31 N O10 S -","- C41 H31 N O10 S -","- C82 H62 N2 O20 S2 -","2","2","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.1256","0.0769","","","0.1891","0.2234","","","","","","1.023","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024149","14.5994","0.0016","6.3161","0.0008","14.6613","0.0017","90","","105.935","0.007","90","","1300","0.3","165","2","165","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O9 S -","- C26 H27 N O9 S -","- C52 H54 N2 O18 S2 -","2","1","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.2833","0.0843","","","0.1149","0.1652","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024150","4.3258","0.0002","8.982","0.0004","8.4721","0.0004","90","","90.594","0.003","90","","329.16","0.03","165","2","165","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H5 N O S -","- C7 H5 N O S -","- C14 H10 N2 O2 S2 -","2","1","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.0538","0.0398","","","0.0677","0.0702","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024151","25.5198","0.0008","5.0809","0.0002","20.1359","0.0007","90","","90","","90","","2610.89","0.16","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 F3 N O5 S2 -","- C9 H10 F3 N O5 S2 -","- C72 H80 F24 N8 O40 S16 -","8","2","","Medha N. Kamat; Nigam P. Rath; Alexei V. Demchenko","Versatile Synthesis and Mechanism of Activation of S-Benzoxazolyl Glycosides","Journal of Organic Chemistry","2007","72","","6938","6946","10.1021/jo0711844","","","0.71073","MoKα","","0.0462","0.0353","","","0.0697","0.0749","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024152","6.0966","0.0002","15.7561","0.0007","8.7435","0.0003","90","","103.906","0.003","90","","815.27","0.05","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Jesús López-Cantarero; M. Belén Cid; Thomas B. Poulsen; Marco Bella; José Luis García Ruano; Karl Anker Jørgensen","Intriguing Behavior of Cinchona Alkaloids in the Enantioselective Organocatalytic Hydroxyamination of α-Substituted-α-cyanoacetates","Journal of Organic Chemistry","2007","72","","7062","7065","10.1021/jo071186o","","x-ray","1.54178","CuKα","","0.0304","0.0294","","","0.0713","0.0717","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024153","8.5337","0.0008","12.4631","0.0011","15.9278","0.0014","90","","90","","90","","1694","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Xiaomei Wei; Ileana I. Rodríguez; Abimael D. Rodríguez; Charles L. Barnes","Caribenols A and B, Sea Whip Derived Norditerpenes with Novel Tricarbocyclic Skeletons","Journal of Organic Chemistry","2007","72","","7386","7389","10.1021/jo070649n","","","0.71073","MoKα","","0.0416","0.0337","","","0.0747","0.0779","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024154","6.6822","0.0008","7.4362","0.001","16.416","0.003","90","","99.948","0.017","90","","803.4","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Subhankar Tripathi; Biswajit G. Roy; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Synthesis of Oxepane Ring Containing Monocyclic, Conformationally Restricted Bicyclic and Spirocyclic Nucleosides from D-Glucose: A Cycloaddition Approach","Journal of Organic Chemistry","2007","72","","7427","7430","10.1021/jo070846m","","","0.71073","MoKα","","0.0607","0.041","","","0.0839","0.0916","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024155","5.6097","0.0005","18.1997","0.0013","21.936","0.002","90","","90","","90","","2239.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Subhankar Tripathi; Biswajit G. Roy; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Synthesis of Oxepane Ring Containing Monocyclic, Conformationally Restricted Bicyclic and Spirocyclic Nucleosides from D-Glucose: A Cycloaddition Approach","Journal of Organic Chemistry","2007","72","","7427","7430","10.1021/jo070846m","","","0.71073","MoKα","","0.0852","0.0616","","","0.1158","0.1216","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024156","14.549","0.002","8.871","0.001","15.167","0.003","90","","118.49","0.003","90","","1720.5","0.5","293","2","293","2","","","","","","","firstly synthesized","4","P 1 21/n 1","-P 2yn","14","trans 5,6,7,8-tetrahydro-6,8-diphenylisoquinoline hydrochloride","trans 5,6,7,8-tetrahydro-6,8-diphenylisoquinoline hydrochloride","","- C21 H20 Cl N -","- C21 H20 Cl N -","- C84 H80 Cl4 N4 -","4","1","","Konstantin Yu. Koltunov; G.K. Surya Prakash; Golam Rasul; George A. Olah","Superacidic Activation of Quinoline and Isoquinoline; Their Reactions with Cyclohexane and Benzene","Journal of Organic Chemistry","2007","72","","7394","7397","10.1021/jo070875x","","","0.71073","MoKα","","0.1734","0.0503","","","0.0941","0.1191","","","","","","0.797","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024157","10.342","0.0005","7.9843","0.0003","11.1511","0.0005","90","","109.152","0.002","90","","869.82","0.07","293","2","293","2","","","","","","","firstly synthesized","4","P 1 21 1","P 2yb","4","trans 5,6,7,8-tetrahydro-5,7-diphenylquinoline hydrochloride","trans 5,6,7,8-tetrahydro-5,7-diphenylquinoline hydrochloride","","- C21 H20 Cl N -","- C21 H20 Cl N -","- C42 H40 Cl2 N2 -","2","1","","Konstantin Yu. Koltunov; G.K. Surya Prakash; Golam Rasul; George A. Olah","Superacidic Activation of Quinoline and Isoquinoline; Their Reactions with Cyclohexane and Benzene","Journal of Organic Chemistry","2007","72","","7394","7397","10.1021/jo070875x","","","0.71073","MoKα","","0.0345","0.0303","","","0.0753","0.0771","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024158","12.706","0.002","15.1141","0.0015","13.0214","0.0017","90","","97.3","0.02","90","","2480.3","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.8 H59.6 Cl3.6 O4 S4 -","- C45.8 H59.6 Cl3.6 O4 S4 -","- C91.6 H119.2 Cl7.2 O8 S8 -","2","0.5","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","1.54184","CuKα","","0.0791","0.0663","","0.0908","0.0822","0.0822","","","","","","1.0958","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024159","8.779","0.0003","9.018","0.0003","10.071","0.0004","103.771","0.0015","105.148","0.0017","109.517","0.0018","677.42","0.05","150","","150","","","","","","","","?","4","P -1","-P 1","2","","","","- C30 H28 O4 S4 -","- C30 H28 O4 S4 -","- C30 H28 O4 S4 -","1","0.5","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","0.71073","MoKα","","0.0345","0.0291","","0.0439","0.0385","0.0385","","","","","","1.0212","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024160","10.516","0.0002","18.8366","0.0003","31.7909","0.0006","90.1202","0.0006","94.7055","0.0008","94.91","0.0008","6252.8","0.19","150","","150","","","","","","","","?","4","P -1","-P 1","2","","","","- C33 H33.25 O4 S4 -","- C33 H33.25 O4 S4 -","- C264 H266 O32 S32 -","8","4","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","0.71073","MoKα","","0.082","0.0438","","0.072","0.0504","0.0504","","","","","","1.0933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024161","8.9805","0.0004","9.2539","0.0005","9.8518","0.0007","66.037","0.005","74.034","0.005","62.74","0.004","661.06","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O2 S2 -","- C14 H12 O2 S2 -","- C28 H24 O4 S4 -","2","1","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","1.5418","CuKα","","0.0858","0.0826","","0.0782","0.0744","0.0744","","","","","","1.113","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024162","10.006","0.002","20.624","0.002","20.815","0.002","90","","99.552","0.01","90","","4236.1","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 O4 S4 -","- C42 H52 O4 S4 -","- C168 H208 O16 S16 -","4","1","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","1.5418","CuKα","","0.1603","0.0715","","0.0901","0.0594","0.0594","","","","","","1.2258","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024163","35.611","0.0007","35.611","0.0007","11.908","0.0002","90","","90","","120","","13077.9","0.4","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H28 O4 S4 -","- C30 H28 O4 S4 -","- C540 H504 O72 S72 -","18","1","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","0.71073","MoKα","","0.0842","0.0524","","0.0857","0.0594","0.0594","","","","","","1.1035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024164","22.8552","0.001","19.5516","0.001","22.5968","0.001","90","","114.36","0.01","90","","9198.5","1","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 O4 S4 -","- C46 H62 O4 S4 -","- C368 H496 O32 S32 -","8","1","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","1.5418","CuKα","","0.0922","0.0747","","0.0665","0.0637","0.0637","","","","","","1.0343","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024165","6.6245","0.0006","6.8299","0.0007","17.4479","0.0018","90","","90","","90","","789.42","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H9 O4 -","- C8 H9 O4 -","- C32 H36 O16 -","4","1","","Taedong Ok; Aram Jeon; Joohee Lee; Jung Hak Lim; Chang Seop Hong; Hee-Seung Lee","Enantiomerically Pure Synthesis of β-Substituted γ-Butyrolactones: A Key Intermediate to Concise Synthesis of Pregabalin","Journal of Organic Chemistry","2007","72","","7390","7393","10.1021/jo0709605","","","0.71073","MoKα","","0.0424","0.04","","","0.1125","0.1153","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024166","6.934","0.0002","9.632","0.0003","17.3308","0.0005","90","","90","","90","","1157.49","0.06","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N O4 -","- C13 H10 N O4 -","- C52 H40 N4 O16 -","4","1","","Taedong Ok; Aram Jeon; Joohee Lee; Jung Hak Lim; Chang Seop Hong; Hee-Seung Lee","Enantiomerically Pure Synthesis of β-Substituted γ-Butyrolactones: A Key Intermediate to Concise Synthesis of Pregabalin","Journal of Organic Chemistry","2007","72","","7390","7393","10.1021/jo0709605","","","0.71073","MoKα","","0.0557","0.0508","","","0.1298","0.1351","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024167","11.0966","0.0003","12.1982","0.0004","19.3775","0.0007","90","","94.928","0.002","90","","2613.21","0.15","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O4 S -","- C28 H30 N2 O4 S -","- C112 H120 N8 O16 S4 -","4","1","","Loránd Kiss; Sven Mangelinckx; Reijo Sillanpää; Ferenc Fülöp; Norbert De Kimpe","An Easy Stereoselective Access to β,γ-Aziridino α-Amino Ester Derivatives via Mannich Reaction of Benzophenone Imines of Glycine Esters with N-Sulfonyl α-Chloroaldimines","Journal of Organic Chemistry","2007","72","","7199","7206","10.1021/jo0710634","","x-ray","0.71073","MoKα","","0.0869","0.056","","","0.1049","0.1181","","","","","","1.068","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024168","10.8141","0.0006","25.3685","0.0015","9.6924","0.0003","90","","107.649","0.003","90","","2533.8","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N2 O4 S -","- C27 H28 N2 O4 S -","- C108 H112 N8 O16 S4 -","4","1","","Loránd Kiss; Sven Mangelinckx; Reijo Sillanpää; Ferenc Fülöp; Norbert De Kimpe","An Easy Stereoselective Access to β,γ-Aziridino α-Amino Ester Derivatives via Mannich Reaction of Benzophenone Imines of Glycine Esters with N-Sulfonyl α-Chloroaldimines","Journal of Organic Chemistry","2007","72","","7199","7206","10.1021/jo0710634","","x-ray","0.71073","MoKα","","0.1089","0.0737","","","0.1324","0.1505","","","","","","1.133","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024169","9.7446","0.0004","10.6546","0.0003","14.6097","0.0005","75.349","0.002","74.192","0.002","80.609","0.002","1404.77","0.08","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C30 H34 N2 O4 S -","- C30 H34 N2 O4 S -","- C60 H68 N4 O8 S2 -","2","1","","Loránd Kiss; Sven Mangelinckx; Reijo Sillanpää; Ferenc Fülöp; Norbert De Kimpe","An Easy Stereoselective Access to β,γ-Aziridino α-Amino Ester Derivatives via Mannich Reaction of Benzophenone Imines of Glycine Esters with N-Sulfonyl α-Chloroaldimines","Journal of Organic Chemistry","2007","72","","7199","7206","10.1021/jo0710634","","x-ray","0.71073","MoKα","","0.1031","0.061","","","0.1031","0.1192","","","","","","1.074","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024170","10.8515","0.0003","12.6958","0.0005","20.1106","0.0006","90","","93.351","0.002","90","","2765.87","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O4 S -","- C30 H34 N2 O4 S -","- C120 H136 N8 O16 S4 -","4","1","","Loránd Kiss; Sven Mangelinckx; Reijo Sillanpää; Ferenc Fülöp; Norbert De Kimpe","An Easy Stereoselective Access to β,γ-Aziridino α-Amino Ester Derivatives via Mannich Reaction of Benzophenone Imines of Glycine Esters with N-Sulfonyl α-Chloroaldimines","Journal of Organic Chemistry","2007","72","","7199","7206","10.1021/jo0710634","","x-ray","0.71073","MoKα","","0.1324","0.0732","","","0.1161","0.1367","","","","","","1.08","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024171","17.3631","0.0009","8.6187","0.0003","19.3747","0.001","90","","116.673","0.002","90","","2590.8","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O4 S -","- C28 H30 N2 O4 S -","- C112 H120 N8 O16 S4 -","4","1","","Loránd Kiss; Sven Mangelinckx; Reijo Sillanpää; Ferenc Fülöp; Norbert De Kimpe","An Easy Stereoselective Access to β,γ-Aziridino α-Amino Ester Derivatives via Mannich Reaction of Benzophenone Imines of Glycine Esters with N-Sulfonyl α-Chloroaldimines","Journal of Organic Chemistry","2007","72","","7199","7206","10.1021/jo0710634","","x-ray","0.71073","MoKα","","0.1068","0.0646","","","0.1181","0.1356","","","","","","1.039","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024172","20.291","","15.783","","8.674","","90","","95.82","","90","","2763.55","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","?","- C108 O24 -","- C108 O24 -","","","","Alexander O. Terent'ev; Maxim M. Platonov; Eduard J. Sonneveld; Rene Peschar; Vladimir V. Chernyshev; Zoya A. Starikova; Gennady I. Nikishin","New Preparation of 1,2,4,5,7,8-Hexaoxonanes","Journal of Organic Chemistry","2007","72","","7237","7243","10.1021/jo071072c","","","","","","","","","","","","","","","","","","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024173","20.526","0.015","12.282","0.011","12.551","0.012","90","","92.17","0.05","90","","3162","5","295","2","295","2","","","","","","","The title compound was synthesized in the Institute of Organic Chemistry Russian Academy of Sciences, Moscow, Russia.","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 O6 -","- C32 H58 O6 -","- C128 H232 O24 -","4","0.5","","Alexander O. Terent'ev; Maxim M. Platonov; Eduard J. Sonneveld; Rene Peschar; Vladimir V. Chernyshev; Zoya A. Starikova; Gennady I. Nikishin","New Preparation of 1,2,4,5,7,8-Hexaoxonanes","Journal of Organic Chemistry","2007","72","","7237","7243","10.1021/jo071072c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024174","11.072","0.009","11.854","0.009","16.489","0.012","90","","103.18","0.04","90","","2107","3","295","2","295","2","","","","","","","The title compound was synthesized in the Institute of Organic Chemistry Russian Academy of Sciences, Moscow, Russia.","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","1","","Alexander O. Terent'ev; Maxim M. Platonov; Eduard J. Sonneveld; Rene Peschar; Vladimir V. Chernyshev; Zoya A. Starikova; Gennady I. Nikishin","New Preparation of 1,2,4,5,7,8-Hexaoxonanes","Journal of Organic Chemistry","2007","72","","7237","7243","10.1021/jo071072c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024175","12.815","0.007","13.032","0.008","6.332","0.003","95.38","0.03","92.33","0.03","73.67","0.02","1010.2","1","295","2","295","2","","","","","","","The title compound was synthesized in the Institute of Organic Chemistry Russian Academy of Sciences, Moscow, Russia.","3","P -1","-P 1","2","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C44 H68 O12 -","2","1","","Alexander O. Terent'ev; Maxim M. Platonov; Eduard J. Sonneveld; Rene Peschar; Vladimir V. Chernyshev; Zoya A. Starikova; Gennady I. Nikishin","New Preparation of 1,2,4,5,7,8-Hexaoxonanes","Journal of Organic Chemistry","2007","72","","7237","7243","10.1021/jo071072c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024176","14.64","0.006","14.217","0.006","10.196","0.004","90","","92.542","0.007","90","","2120.2","1.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H31 Cl3 O6 -","- C19 H31 Cl3 O6 -","- C76 H124 Cl12 O24 -","4","1","","Alexander O. Terent'ev; Maxim M. Platonov; Eduard J. Sonneveld; Rene Peschar; Vladimir V. Chernyshev; Zoya A. Starikova; Gennady I. Nikishin","New Preparation of 1,2,4,5,7,8-Hexaoxonanes","Journal of Organic Chemistry","2007","72","","7237","7243","10.1021/jo071072c","","","0.71073","MoKα","","0.0338","0.032","","","0.0856","0.0871","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024177","21.414","0.004","23.166","0.004","24.601","0.005","88.98","0.005","78.128","0.005","84.935","0.005","11896","4","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H114 N21 O10 P -","- C111 H114 N21 O10 P -","- C444 H456 N84 O40 P4 -","4","2","","Evgeny A. Katayev; Jonathan L. Sessler; Victor N. Khrustalev; Yuri A. Ustynyuk","Synthetic Model of the Phosphate Binding Protein: Solid-State Structure and Solution-Phase Anion Binding Properties of a Large Oligopyrrolic Macrocycle","Journal of Organic Chemistry","2007","72","","7244","7252","10.1021/jo071106g","","","0.71073","MoKα","","0.2392","0.0996","","","0.1596","0.1837","","","","","","0.988","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024178","7.9747","0.0003","15.2901","0.0006","10.4868","0.0004","90.01","","99.03","","90","","1262.86","0.08","173","","173","","","","","","","","","6","P 1","P 1","1","PdCl2(t-Bu-QuinoxP*)","[(R,R)-2,3-bis((tert-butyl)methylphosphino)quinoxaline]dichloropalladium","","- C38 H60 Cl8 N4 P4 Pd2 -","- C19 H30 Cl4 N2 P2 Pd -","- C38 H60 Cl8 N4 P4 Pd2 -","2","2","","Tsuneo Imamoto; Miwako Nishimura; Aya Koide; Kazuhiro Yoshida","t-Bu-QuinoxP* Ligand: Applications in Asymmetric Pd-Catalyzed Allylic Substitution and Ru-Catalyzed Hydrogenation","Journal of Organic Chemistry","2007","72","","7413","7416","10.1021/jo071192k","","","0.71073","MoKα","","0.0201","0.0198","","","0.0503","0.0504","","","","","","1.099","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024179","48.051","0.007","9.5884","0.0013","29.886","0.004","90","","91.057","0.003","90","","13767","3","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C152 H186 N2 O41 -","- C152 H184 N2 O41 -","- C608 H736 N8 O164 -","4","0.5","","Tao Han; Chuan-Feng Chen","Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes","Journal of Organic Chemistry","2007","72","","7287","7293","10.1021/jo071195x","","","0.7107","MoKα","","0.1249","0.0942","","","0.255","0.2895","","","","","","1.085","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024180","11.892","0.006","15.745","0.007","22.822","0.011","99.818","0.01","93.828","0.006","97.213","0.009","4160","3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C80.5 H95.75 Cl2 Li2 N3.25 O30 -","- C80.5 H95 Cl2 Li2 N3.25 O30 -","- C161 H190 Cl4 Li4 N6.5 O60 -","2","1","","Tao Han; Chuan-Feng Chen","Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes","Journal of Organic Chemistry","2007","72","","7287","7293","10.1021/jo071195x","","","0.7107","MoKα","","0.1993","0.1604","","","0.4303","0.4592","","","","","","1.609","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024181","12.137","0.003","16.202","0.004","23.478","0.006","76.116","0.009","86.728","0.011","76.863","0.01","4364.6","1.9","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H83 F12 K2 N O18 P2 -","- C78 H83 F12 K2 N O18 P2 -","- C156 H166 F24 K4 N2 O36 P4 -","2","1","","Tao Han; Chuan-Feng Chen","Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes","Journal of Organic Chemistry","2007","72","","7287","7293","10.1021/jo071195x","","","0.7107","MoKα","","0.1967","0.1436","","0.1711","0.1673","0.1673","","","","","","1.1576","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024182","29.938","0.003","29.938","0.003","17.0369","0.0016","90","","90","","120","","13224","2","113","2","113","2","","","","","","","","6","P -3","-P 3","147","","","","- C80 H100.17 F12 N2 O17.08 P2 -","- C80 H99 F12 N2 O17.0933 P2 -","- C480 H594 F72 N12 O102.56 P12 -","6","1","","Tao Han; Chuan-Feng Chen","Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes","Journal of Organic Chemistry","2007","72","","7287","7293","10.1021/jo071195x","","","0.7107","MoKα","","0.0834","0.076","","","0.2017","0.2127","","","","","","1.062","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024183","6.7373","0.0008","12.9144","0.0009","14.3355","0.0009","90","","101.895","0.004","90","","1220.52","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","13","2-(tris-methylsulfanyl-methyl)-3-methyl-pyridine","","- C10 H15 N S3 -","- C10 H15 N S3 -","- C40 H60 N4 S12 -","4","1","","Victor Mamane; Emmanuel Aubert; Yves Fort","The Methyl Group as a Source of Structural Diversity in Heterocyclic Chemistry: Side Chain Functionalization of Picolines and Related Heterocycles","Journal of Organic Chemistry","2007","72","","7294","7300","10.1021/jo071209z","","","0.71073","MoKα","","0.0344","0.0267","","","0.0708","0.0735","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024184","8.2196","0.0004","10.2735","0.0007","13.857","0.0011","92.479","0.004","106.581","0.004","111.661","0.004","1027.68","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","25","2-(tris-phenylsulfanyl-methyl)-pyridine","","- C24 H19 N S3 -","- C24 H19 N S3 -","- C48 H38 N2 S6 -","2","1","","Victor Mamane; Emmanuel Aubert; Yves Fort","The Methyl Group as a Source of Structural Diversity in Heterocyclic Chemistry: Side Chain Functionalization of Picolines and Related Heterocycles","Journal of Organic Chemistry","2007","72","","7294","7300","10.1021/jo071209z","","","0.71073","MoKα","","0.0324","0.0291","","","0.0765","0.078","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024185","11.384","0.0013","10.6382","0.0012","20.331","0.002","90","","90.589","0.002","90","","2462.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 Br O3 -","- C27 H35 Br O3 -","- C108 H140 Br4 O12 -","4","2","","Amy L. Lane; Elizabeth P. Stout; Mark E. Hay; Anne C. Prusak; Kenneth Hardcastle; Craig R. Fairchild; Scott G. Franzblau; Karine Le Roch; Jacques Prudhomme; William Aalbersberg; Julia Kubanek","Callophycoic Acids and Callophycols from the Fijian Red Alga Callophycus serratus","Journal of Organic Chemistry","2007","72","","7343","7351","10.1021/jo071210y","","","0.71073","MoKα","","0.1197","0.0647","","","0.1042","0.1179","","","","","","1","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024186","9.0332","0.0009","23.745","0.002","11.0309","0.0011","90","","103.957","0.001","90","","2296.2","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[2'-(1-Hydroxy-1-isopropyl-2-methyl-propyl)-biphenyl-2-yl] -2,4-dimethyl-pentan-3-ol","","- C26 H38 O2 -","- C26 H38 O2 -","- C104 H152 O8 -","4","1","","Daniele Casarini; Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti; Carlo Rosini","Structure, Conformation, Stereodynamics, Dimer Formation, and Absolute Configuration of Axially Chiral Atropisomers of Hindered Biphenyl Carbinols","Journal of Organic Chemistry","2007","72","","7667","7676","10.1021/jo701481m","","","0.71073","MoKα","","0.0555","0.0484","","","0.1639","0.1699","","","","","","1.729","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024187","8.9223","0.001","11.0696","0.0012","11.9651","0.0014","67.507","0.008","74.357","0.009","72.459","0.009","1025","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C44 H42 N6 O12 -","2","1","","Vadim S. Korotkov; Oleg V. Larionov; Anja Hofmeister; Jörg Magull; Armin de Meijere","GaCl~3~-Catalyzed Insertion of Diazene Derivatives into the Cyclopropane Ring","Journal of Organic Chemistry","2007","72","","7504","7510","10.1021/jo0704816","","","0.71073","MoKα","","0.0651","0.0376","","","0.0713","0.077","","","","","","1.005","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024188","9.1054","0.0004","15.0233","0.0009","15.1878","0.0007","90","","99.518","0.003","90","","2048.99","0.18","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O6 -","- C22 H21 N3 O6 -","- C88 H84 N12 O24 -","4","1","","Vadim S. Korotkov; Oleg V. Larionov; Anja Hofmeister; Jörg Magull; Armin de Meijere","GaCl~3~-Catalyzed Insertion of Diazene Derivatives into the Cyclopropane Ring","Journal of Organic Chemistry","2007","72","","7504","7510","10.1021/jo0704816","","","0.71073","MoKα","","0.0421","0.0313","","","0.0802","0.0837","","","","","","1.013","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024189","11.0013","0.0008","9.2305","0.0006","21.613","0.0002","90","","91.697","0.007","90","","2193.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","","José M. Concellón; Virginia del Solar; Santiago García-Granda; M. Rosario Díaz","Totally Selective Reaction of CO~2~ with Enantiopure Amino Epoxides under Mild Reaction Conditions. Synthesis and Synthetic Applications of Enantiopure (4R,1'S)- or (4S,1'S)-4-(1-Aminoalkyl)-2-oxo-1,3-dioxolanes","Journal of Organic Chemistry","2007","72","","7567","7573","10.1021/jo070829x","","","1.5418","CuKα","","0.1231","0.0637","","","0.1423","0.1871","","","","","","1.024","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024190","7.67","0.003","9.846","0.004","11.078","0.005","103.439","0.007","91.449","0.009","111.541","0.008","751.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Bin Yan; Yebing Zhou; Hao Zhang; Jingjin Chen; Yuanhong Liu","Highly Efficient Synthesis of Functionalized Indolizines and Indolizinones by Copper-Catalyzed Cycloisomerizations of Propargylic Pyridines","Journal of Organic Chemistry","2007","72","","7783","7786","10.1021/jo070983j","","","0.71073","MoKα","","0.1447","0.0982","","","0.2541","0.2849","","","","","","0.929","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024191","6.1721","0.0004","8.3012","0.0006","17.1703","0.0012","100.228","0.001","96.551","0.001","104.693","0.001","825.66","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 F5 N O6 P -","- C12 H11 F5 N O6 P -","- C24 H22 F10 N2 O12 P2 -","2","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.0508","0.048","","","0.1293","0.1314","","","","","","1.09","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024192","12.259","0.003","15.159","0.004","9.95","0.003","90","","111.936","0.004","90","","1715.1","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F3 N O6 P -","- C13 H15 F3 N O6 P -","- C52 H60 F12 N4 O24 P4 -","4","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.146","0.0979","","","0.1959","0.2196","","","","","","1.162","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024193","8.4942","0.0007","18.7298","0.0015","19.7636","0.0016","67.141","0.001","86.272","0.001","84.659","0.001","2883.3","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 F6 N O7 P -","- C15 H16 F6 N O7 P -","- C90 H96 F36 N6 O42 P6 -","6","3","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1158","0.066","","","0.1598","0.1799","","","","","","0.979","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024194","7.083","0.001","16.715","0.002","14.637","0.002","90","","96.001","0.003","90","","1723.4","0.4","295","1","295","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 F6 N O6 P -","- C11 H16 F6 N O6 P -","- C44 H64 F24 N4 O24 P4 -","4","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1121","0.0958","","","0.1908","0.1985","","","","","","1.323","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024195","16.428","0.003","11.695","0.002","8.0881","0.0015","90","","100.953","0.003","90","","1525.7","0.5","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 N O7 P2 -","- C9 H21 N O7 P2 -","- C36 H84 N4 O28 P8 -","4","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.0858","0.0637","","","0.1623","0.1734","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024196","12.2816","0.0012","18.3529","0.0018","9.2776","0.0009","90","","107.517","0.002","90","","1994.2","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F6 N O6 P -","- C14 H14 F6 N O6 P -","- C56 H56 F24 N4 O24 P4 -","4","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1444","0.1092","","","0.261","0.2847","","","","","","1.14","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024197","11.7792","0.0007","13.4173","0.0009","8.3445","0.0005","90","","90","","90","","1318.81","0.14","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C44 H64 N4 O20 P4 -","4","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1041","0.0534","","","0.056","0.0649","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024198","11.1322","0.0006","9.4331","0.0005","25.1364","0.0015","90","","90","","90","","2639.6","0.3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 F5 N O4 P -","- C10 H9 F5 N O4 P -","- C80 H72 F40 N8 O32 P8 -","8","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1034","0.0805","","","0.1607","0.1725","","","","","","1.26","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024199","14.792","0.002","3.8691","0.0008","21.435","0.005","90","","106.12","0.02","90","","1178.53","","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-difluoro-benzo[c]phenanthrene","","- C18 H10 F2 -","- C18 H10 F2 -","- C72 H40 F8 -","4","1","","Suyeal Bae; Heduck Mah; Surendrakumar Chaturvedi; Tamara Musafia Jeknic; William M. Baird; Amy K. Katz; H. L. Carrell; Jenny P. Glusker; Takao Okazaki; Kenneth K. Laali; Barbara Zajc; Mahesh K. Lakshman","Synthetic, Crystallographic, Computational, and Biological Studies of 1,4-Difluorobenzo[c]phenanthrene and Its Metabolites","Journal of Organic Chemistry","2007","72","","7625","7633","10.1021/jo071145s","","","0.71073","MoKa","","0.061","0.048","","0.103","0.102","","0.083","","1.712","1.858","1.858","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024200","7.681","0.006","8.366","0.005","21.16","0.02","90","","98.34","0.05","90","","1345.3","2","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,4-difluoro-benzo[c]phenanthrene-9,10-dihydrodiol","","- C18 H12 F2 O2 -","- C18 H12 F2 O2 -","- C72 H48 F8 O8 -","4","1","","Suyeal Bae; Heduck Mah; Surendrakumar Chaturvedi; Tamara Musafia Jeknic; William M. Baird; Amy K. Katz; H. L. Carrell; Jenny P. Glusker; Takao Okazaki; Kenneth K. Laali; Barbara Zajc; Mahesh K. Lakshman","Synthetic, Crystallographic, Computational, and Biological Studies of 1,4-Difluorobenzo[c]phenanthrene and Its Metabolites","Journal of Organic Chemistry","2007","72","","7625","7633","10.1021/jo071145s","","","0.71073","MoKa","","0.16","0.089","","0.165","0.157","","0.112","","2.016","2.435","2.435","2.435","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024201","7.814","0.007","8.174","0.002","20.263","0.002","90","","94.6","0.02","90","","1290.1","1.2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3,4-dihydrodiol-benzo[c]phenanthrene","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Suyeal Bae; Heduck Mah; Surendrakumar Chaturvedi; Tamara Musafia Jeknic; William M. Baird; Amy K. Katz; H. L. Carrell; Jenny P. Glusker; Takao Okazaki; Kenneth K. Laali; Barbara Zajc; Mahesh K. Lakshman","Synthetic, Crystallographic, Computational, and Biological Studies of 1,4-Difluorobenzo[c]phenanthrene and Its Metabolites","Journal of Organic Chemistry","2007","72","","7625","7633","10.1021/jo071145s","","","0.71073","MoKα","","0.1116","0.0614","","","0.0949","0.1029","","","","","","1.608","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024202","12.7203","0.0011","45.428","0.004","11.6976","0.0006","90","","91.788","0.005","90","","6756.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81 Cl8 N O7 -","- C70 H81 Cl8 N O7 -","- C280 H324 Cl32 N4 O28 -","4","1","","Amel Ben Othman; Jeong Won Lee; Jia-Sheng Wu; Jong Seung Kim; Rym Abidi; Pierre Thuéry; Jean Marc Strub; Alain Van Dorsselaer; Jacques Vicens","Calix[4]arene-Based, Hg^2+^-Induced Intramolecular Fluorescence Resonance Energy Transfer Chemosensor","Journal of Organic Chemistry","2007","72","","7634","7640","10.1021/jo071226o","","","0.71073","MoKα","","0.135","0.0854","","","0.2417","0.2705","","","","","","1.094","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024203","7.601","0.005","7.577","0.005","26.341","0.005","90","","94.107","0.005","90","","1513.2","1.4","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Jose M. Antelo Miguez; Luis Angel Adrio; Antonio Sousa-Pedrares; Jose M. Vila; King Kuok (Mimi) Hii","A Practical and General Synthesis of Unsymmetrical Terphenyls","Journal of Organic Chemistry","2007","72","","7771","7774","10.1021/jo701308b","","","0.71069","MoKα","","0.1175","0.0819","","","0.2257","0.2499","","","","","","1.13","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4024204","8.82","0.003","11.774","0.005","13.6","0.007","101.089","0.018","106.943","0.016","104.443","0.015","1253.7","1","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C56 H58 N2 O14 -","2","1","","Sun-Liang Cui; Jun Wang; Xu-Feng Lin; Yan-Guang Wang","Domino Reaction of 3-(2-Formylphenoxy)propenoates and Amines: A Novel Synthesis of 1,4-Dihydropyridines from Salicaldehydes, Ethyl Propiolate, and Amines","Journal of Organic Chemistry","2007","72","","7779","7782","10.1021/jo7013593","","","0.71075","MoKα","","","0.0505","","","","0.1375","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024205","8.25","0.002","13.256","0.004","16.975","0.005","90","","92.084","0.004","90","","1855.2","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl F3 N O2 -","- C19 H17 Cl F3 N O2 -","- C76 H68 Cl4 F12 N4 O8 -","4","1","","Dmitry Shabashov; Olafs Daugulis","Palladium-Catalyzed Anilide ortho-Arylation and Subsequent One-Pot Cyclization to Phenanthridines","Journal of Organic Chemistry","2007","72","","7720","7725","10.1021/jo701387m","","","0.71073","MoKα","","0.0686","0.0422","","","0.1067","0.1236","","","","","","0.93","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024206","8.378","0.002","10.646","0.002","16.16","0.003","86.01","0.003","89.132","0.003","88.626","0.003","1437.2","0.5","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","2","","Dmitry Shabashov; Olafs Daugulis","Palladium-Catalyzed Anilide ortho-Arylation and Subsequent One-Pot Cyclization to Phenanthridines","Journal of Organic Chemistry","2007","72","","7720","7725","10.1021/jo701387m","","","0.71073","MoKα","","0.0737","0.065","","","0.2053","0.214","","","","","","1.032","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024207","12.7902","0.001","5.0003","0.0004","18.5981","0.0014","90","","109.263","0.001","90","","1122.85","0.15","571","2","571","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","biphenyl-2,2'-diyldimethanol","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Daniele Casarini; Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti; Carlo Rosini","Structure, Conformation, Stereodynamics, Dimer Formation, and Absolute Configuration of Axially Chiral Atropisomers of Hindered Biphenyl Carbinols","Journal of Organic Chemistry","2007","72","","7667","7676","10.1021/jo701481m","","","0.71073","MoKα","","0.0509","0.0421","","","0.124","0.1291","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024208","8.9963","0.0013","9.9418","0.0014","10.2139","0.0014","118.026","0.001","95.944","0.002","101.472","0.002","769.52","0.19","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","2,2'-(biphenyl-2,2'-diyl)dipropan-2-ol","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Daniele Casarini; Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti; Carlo Rosini","Structure, Conformation, Stereodynamics, Dimer Formation, and Absolute Configuration of Axially Chiral Atropisomers of Hindered Biphenyl Carbinols","Journal of Organic Chemistry","2007","72","","7667","7676","10.1021/jo701481m","","","0.71073","MoKα","","0.0484","0.0413","","","0.126","0.1316","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024209","9.7091","0.0004","9.8972","0.0003","15.0704","0.0005","76.163","0.0019","77.145","0.002","78.022","0.0018","1352.55","0.08","110","","110","","","","","","","","","6","P -1","-P 1","2","","ZnC-Br7T10","","- C30 H24 Br Cl3 N4 Zn -","- C30 H24 Br Cl3 N4 Zn -","- C60 H48 Br2 Cl6 N8 Zn2 -","2","1","","Chinnasamy Muthiah; Marcin Ptaszek; Tien M. Nguyen; Kyle M. Flack; Jonathan S. Lindsey","Two Complementary Routes to 7-Substituted Chlorins. Partial Mimics of Chlorophyll b","Journal of Organic Chemistry","2007","72","","7736","7749","10.1021/jo701500d","","","0.71073","MolybdenumKα","","0.072","0.043","","0.043","","0.042","","","","","","1.2","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4024210","14.9216","0.0002","17.772","0.0002","19.357","0.0002","92.121","0.001","110.495","0.001","96.432","0.001","4761.98","0.1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","6,13(2,3-triphenyleno)-6,13(di-1-butyl)-a,c,l,n-tetrabenzopentacene","","- C70 H54 -","- C70 H54 -","- C280 H216 -","4","2","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.1052","0.0601","","","0.1572","0.1847","","","","","","0.985","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024211","9.377","0.0002","10.8057","0.0002","14.9048","0.0003","106.194","0.001","91.617","0.001","106.409","0.001","1381.82","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,3,6,7,12,13-hexabromo-9,10-dibutyltriptycene","","- C28 H24 Br6 -","- C28 H24 Br6 -","- C56 H48 Br12 -","2","1","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0365","0.0242","","","0.0533","0.0568","","","","","","1.042","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024212","20.3011","0.0005","8.4982","0.0002","13.5289","0.0003","90","","122.365","0.001","90","","1971.46","0.08","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","9,10-dibutyltriptycene","9,10-dibutyl-9,10(1,2-dibenzo)anthracene","","- C28 H30 -","- C28 H30 -","- C112 H120 -","4","0.5","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0504","0.0455","","","0.1226","0.1295","","","","","","1.05","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024213","9.3588","0.0003","10.6539","0.0003","12.7806","0.0004","71.319","0.001","83.604","0.001","83.15","0.001","1194.94","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,3,6,7,12,13-hexabromotriptycene","","- C23 H14 Br6 O -","- C23 H14 Br6 O -","- C46 H28 Br12 O2 -","2","1","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0523","0.0333","","","0.0746","0.083","","","","","","1.04","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024214","15.4178","0.0008","9.5733","0.0005","15.4178","0.0008","90","","117.43","","90","","2019.72","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3,6,7,12,13-hexabromotriptycene","","- C20 H8 Br6 -","- C20 H8 Br6 -","- C80 H32 Br24 -","4","1","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0598","0.0316","","","0.0654","0.0728","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024215","15.851","0.002","19.184","0.003","23.951","0.004","90","","90","","90","","7282.8","1.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H42 B N7 P Rh -","- C40 H42 B N7 P Rh -","- C320 H336 B8 N56 P8 Rh8 -","8","1","","Jun Yang; Anthony Sabarre; Lauren R. Fraser; Brian O. Patrick; Jennifer A. Love","Synthesis of 1,1-Disubstituted Alkyl Vinyl Sulfides via Rhodium-Catalyzed Alkyne Hydrothiolation: Scope and Limitations","Journal of Organic Chemistry","2009","74","","182","187","10.1021/jo801644s","","","0.71073","MoKα","","0.0336","0.0241","","","0.0581","0.0657","","","","","","1.081","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024216","4.0595","0.0002","6.8131","0.0003","39.3862","0.0018","90","","90","","90","","1089.33","0.09","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 I N4 -","- C11 H7 I N4 -","- C44 H28 I4 N16 -","4","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.0323","0.0315","","","0.0793","0.0798","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024217","6.5313","0.0002","13.5186","0.0005","7.7087","0.0003","90","","93.291","0.001","90","","679.51","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C24 H16 I4 N12 -","4","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.0291","0.0232","","","0.0561","0.0591","","","","","","1.143","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024218","4.3247","0.0005","6.9071","0.0007","13.3984","0.0014","90","","97.715","0.004","90","","396.6","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C7 H3 I N4 -","- C7 H3 I N4 -","- C14 H6 I2 N8 -","2","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.012","0.0119","","","0.03","0.03","","","","","","1.127","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024219","9.1218","0.0006","9.8426","0.0007","10.7786","0.0007","101.029","0.002","112.749","0.001","91.45","0.001","870.68","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C32 H48 N8 O8 -","2","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0724","0.045","","","0.1116","0.1243","","","","","","0.937","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024220","8.1119","0.0009","23.87","0.003","8.8068","0.001","90","","90","","90","","1705.3","0.3","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C64 H96 N16 O16 -","4","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0358","0.0321","","","0.0738","0.0772","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024221","12.8503","0.0007","12.9078","0.0007","44.377","0.003","90","","97.186","0.001","90","","7303","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H28 N4 O2 -","- C18 H28 N4 O2 -","- C288 H448 N64 O32 -","16","4","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0563","0.0438","","","0.1061","0.1124","","","","","","1.002","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024222","16.33","0.0006","16.1503","0.0006","8.5508","0.0003","90","","90","","90","","2255.14","0.14","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H32 N4 O6 -","- C19 H32 N4 O6 -","- C76 H128 N16 O24 -","4","0.5","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0406","0.0342","","","0.0905","0.0945","","","","","","1.05","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024223","9.1808","0.0005","15.9331","0.0009","16.1761","0.0009","90","","97.11","0.001","90","","2348","0.2","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","- C80 H136 N16 O32 -","4","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0434","0.0382","","","0.1053","0.1095","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024224","8.7415","0.0006","22.665","0.0016","10.2718","0.0007","90","","103.32","0.002","90","","1980.4","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N4 O5 -","- C19 H30 N4 O5 -","- C76 H120 N16 O20 -","4","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0669","0.0534","","","0.1151","0.1213","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024225","6.4087","0.0008","17.125","0.002","19.009","0.003","90","","90","","90","","2086.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 O8 P -","- C21 H23 O8 P -","- C84 H92 O32 P4 -","4","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0908","0.065","","","0.108","0.1162","","","","","","1.075","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024226","12.5781","0.0017","5.6986","0.0008","14.879","0.002","90","","109.526","0.002","90","","1005.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl O7 P -","- C20 H20 Cl O7 P -","- C40 H40 Cl2 O14 P2 -","2","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0477","0.0413","","","0.0946","0.0978","","","","","","1.044","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024227","7.4778","0.0005","18.2738","0.0013","7.7736","0.0005","90","","114.183","0.001","90","","969.02","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 O8 P -","- C18 H27 O8 P -","- C36 H54 O16 P2 -","2","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0303","0.0296","","","0.0781","0.0787","","","","","","1.024","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024228","7.9117","0.0005","14.4385","0.0009","16.3254","0.0011","90","","90","","90","","1864.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl F3 N O3 S -","- C19 H15 Cl F3 N O3 S -","- C76 H60 Cl4 F12 N4 O12 S4 -","4","1","","M. Belén Cid; Jesús López-Cantarero; Sara Duce; José Luis García Ruano","Enantioselective Organocatalytic Approach to the Synthesis of α,α-Disubstituted Cyanosulfones","Journal of Organic Chemistry","2009","74","","431","434","10.1021/jo801968p","","","0.71073","MoKα","","0.0319","0.0297","","","0.0757","0.0769","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024229","6.8461","0.0001","14.8555","0.0002","19.2378","0.0003","90","","90.401","0.001","90","","1956.48","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F3 N O3 S -","- C21 H18 F3 N O3 S -","- C84 H72 F12 N4 O12 S4 -","4","2","","M. Belén Cid; Jesús López-Cantarero; Sara Duce; José Luis García Ruano","Enantioselective Organocatalytic Approach to the Synthesis of α,α-Disubstituted Cyanosulfones","Journal of Organic Chemistry","2009","74","","431","434","10.1021/jo801968p","","","1.54178","CuKα","","0.034","0.0337","","","0.0875","0.0877","","","","","","1.088","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024230","9.5696","0.0003","19.2499","0.0005","9.8027","0.0002","90","","104.089","0.001","90","","1751.47","0.08","153","2","153","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C34 H37 F6 N O P Pd S Sb -","- C34 H37 F6 N O P Pd S Sb -","- C68 H74 F12 N2 O2 P2 Pd2 S2 Sb2 -","2","1","","Hongshan Lai; Zhiyan Huang; Qiong Wu; Yong Qin","Synthesis of Novel Enantiopure Biphenyl P,N-Ligands and Application in Palladium-Catalyzed Asymmetric Addition of Arylboronic Acids to N-Benzylisatin","Journal of Organic Chemistry","2009","74","","283","288","10.1021/jo802036m","","","0.71073","MoKα","","0.0272","0.0253","","","0.0574","0.0584","","","","","","0.998","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024231","6.212","0.003","7.42","0.004","13.04","0.006","90.105","0.007","94.926","0.008","90.416","0.007","598.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C30 H22 Cl2 O4 -","2","1","","Li Lu; Xue-Yuan Liu; Xing-Zhong Shu; Ke Yang; Ke-Gong Ji; Yong-Min Liang","Platinum-Catalyzed Cycloisomerization Reaction of 1,6-Enyne Coupling with Rearrangement of Propargylic Esters","Journal of Organic Chemistry","2009","74","","474","477","10.1021/jo802043z","","","0.71073","MoKα","","0.0448","0.0404","","","0.1076","0.1164","","","","","","0.571","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024232","26.372","0.005","5.6563","0.0011","20.652","0.004","90","","108.83","0.03","90","","2915.7","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 F2 O4 -","- C18 H16 F2 O4 -","- C144 H128 F16 O32 -","8","1","","Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink","Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols","Journal of Organic Chemistry","2009","74","","274","282","10.1021/jo8020506","","","0.71073","MoKα","","0.08","0.065","","","0.151","0.161","","","","","","1.13","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024233","9.3219","0.0005","10.5827","0.0019","11.9459","0.0016","83.63","0.02","68.448","0.013","73.18","0.02","1049.2","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","2","","Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink","Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols","Journal of Organic Chemistry","2009","74","","274","282","10.1021/jo8020506","","","0.71073","MoKα","","0.044","0.043","","","0.127","0.129","","","","","","1.15","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024234","6.6","0.003","9.507","0.004","17.683","0.007","90","","93.003","0.007","90","","1108","0.7","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","2","","Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink","Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols","Journal of Organic Chemistry","2009","74","","274","282","10.1021/jo8020506","","","0.71073","MoKα","","0.05","0.046","","","0.096","0.099","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024235","17.7305","0.0012","17.6079","0.0012","20.3449","0.0013","90","","93.101","0.001","90","","6342.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C145 H164 O17 -","- C145 H164 O17 -","- C290 H328 O34 -","2","0.5","","Lev Kuno; Silvio E. Biali","Isotopic Perturbation of the Conformational Equilibrium in Methylene-Functionalized Calixarenes","Journal of Organic Chemistry","2009","74","","48","57","10.1021/jo8020538","","","0.71073","MoKα","","0.0903","0.0727","","","0.1963","0.2081","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024236","14.1975","0.0019","14.937","0.002","8.9175","0.0012","90","","90","","90","","1891.2","0.4","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C26 H20 -","- C26 H20 -","- C104 H80 -","4","1","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","","0.71073","MoKα","","0.0435","0.0364","","","0.0967","0.0998","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024237","13.2112","0.0019","17.063","0.003","18.018","0.003","90","","90","","90","","4061.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 O8 S2 -","- C46 H48 O8 S2 -","- C184 H192 O32 S8 -","4","1","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","","0.71073","MoKα","","0.134","0.0487","","","0.0682","0.0794","","","","","","0.722","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024238","15.423","0.002","13.0638","0.0018","16.267","0.002","90","","100.976","0.002","90","","3217.6","0.8","30","2","30","2","","","","","","","","3","C 1 2 1","C 2y","5","tetraphenylene","Dideuteriotetraphenylene","","- C24 H12 D4 -","- C24 H12 D4 -","- C192 H96 D32 -","8","2","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","neutron","0","polychromaticbeamofneutrons","","0.079","0.079","","","0.1991","0.1991","","","","","","1.023","","","","has coordinates","190777","2020-10-21","18:00:00",""
"4024239","7.964","0.004","11.56","0.005","16.232","0.007","73.108","0.008","81.205","0.009","72.258","0.008","1358.5","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 S7 Si2 -","- C22 H20 S7 Si2 -","- C44 H40 S14 Si4 -","2","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.0949","0.0485","","","0.0988","0.1175","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024240","8.0503","0.0018","9.591","0.002","9.965","0.002","85.848","0.004","79.656","0.004","68.223","0.004","702.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C22 H22 Br2 S6 Si2 -","2","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.048","0.0349","","","0.0881","0.093","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024241","11.4964","0.0016","14.345","0.002","15.846","0.002","90","","90","","90","","2613.3","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 S6 Si2 -","- C22 H22 S6 Si2 -","- C88 H88 S24 Si8 -","4","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.0437","0.0339","","","0.0785","0.0834","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024242","10.928","0.01","14.441","0.014","18.117","0.018","74.483","0.016","78.083","0.018","85.768","0.019","2695","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 S12 Si4 -","- C44 H40 S12 Si4 -","- C88 H80 S24 Si8 -","2","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.3988","0.1351","","","0.2525","0.3675","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024243","8.6992","0.0003","9.7549","0.0004","13.8934","0.0006","83.301","0.003","86.487","0.003","69.316","0.002","1095.21","0.08","293","2","293","2","","","","","","","synthesized by the authors, see text","3","P -1","-P 1","2","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","2","","Jean-François Brazeau; Philippe Mochirian; Michel Prévost; Yvan Guindon","Stereopentads Derived from a Sequence of Mukaiyama Aldolization and Free Radical Reduction on α-Methyl-β-alkoxy Aldehydes: A General Strategy for Efficient Polypropionate Synthesis","Journal of Organic Chemistry","2009","74","","64","74","10.1021/jo8021583","","","1.54178","CuKα","","0.0763","0.0455","","0.1214","","0.111","","","0.931","","","1.1","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024244","6.3406","0.0002","15.9727","0.0003","18.9708","0.0005","90","","90","","90","","1921.3","0.09","150","1","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 I2 N O2 S -","- C17 H19 I2 N O2 S -","- C68 H76 I8 N4 O8 S4 -","4","1","","Alena Rudolph; Nils Rackelmann; Marc-Olivier Turcotte-Savard; Mark Lautens","Application of Secondary Alkyl Halides to a Domino Aryl Alkylation Reaction for the Synthesis of Aromatic Heterocycles","Journal of Organic Chemistry","2009","74","","289","297","10.1021/jo802180h","","","0.71073","MoKα","","0.0639","0.0405","","","0.0889","0.1016","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024245","10.0109","0.0007","11.0993","0.0012","11.8283","0.0014","73.54","0.004","84.798","0.006","85.389","0.006","1253.2","0.2","150","1","150","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C54 H52 N4 O12 S2 -","2","2","","Alena Rudolph; Nils Rackelmann; Marc-Olivier Turcotte-Savard; Mark Lautens","Application of Secondary Alkyl Halides to a Domino Aryl Alkylation Reaction for the Synthesis of Aromatic Heterocycles","Journal of Organic Chemistry","2009","74","","289","297","10.1021/jo802180h","","","0.71073","MoKα","","0.1384","0.0731","","","0.1636","0.2056","","","","","","1.025","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024246","25.862","0.001","12.875","0.001","20.539","0.001","90","","90","","90","","6838.9","0.7","122.4","0.5","122.4","0.5","","","","","","","","5","F d d 2","F 2 -2d","43","","trans-4-[6-(4-Nitrophenyl)hex-3-ene-1,5-diynyl]tetrathiafulvalene","","- C18 H9 N O2 S4 -","- C18 H9 N O2 S4 -","- C288 H144 N16 O32 S64 -","16","1","","Asbjørn S. Andersson; Lasse Kerndrup; Anders Ø. Madsen; Kristine Kilså; Mogens Brøndsted Nielsen; Philip R. La Porta; Ivan Biaggio","Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors","Journal of Organic Chemistry","2009","74","","375","382","10.1021/jo802190q","","","0.71073","MoKα","","0.038","0.0316","","","0.0755","0.0801","","","","","","1.069","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024247","7.203","0.001","7.444","0.0014","9.295","0.001","82.759","0.01","73.703","0.01","89.824","0.012","474.28","0.12","122","5","122.4","0.5","","","","","","","","5","P -1","-P 1","2","","cif-1-Bromo-4-4(4-nitrophenyl)but-1-en-3-yne","","- C10 H6 Br N O2 -","- C10 H6 Br N O2 -","- C20 H12 Br2 N2 O4 -","2","1","","Asbjørn S. Andersson; Lasse Kerndrup; Anders Ø. Madsen; Kristine Kilså; Mogens Brøndsted Nielsen; Philip R. La Porta; Ivan Biaggio","Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors","Journal of Organic Chemistry","2009","74","","375","382","10.1021/jo802190q","","","0.71073","MoKα","","0.0408","0.032","","","0.1166","0.1328","","","","","","1.013","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024248","14.8181","0.0016","7.9738","0.0009","14.4428","0.0015","90","","93.794","0.003","90","","1702.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Ji-Bao Xia; Xue-Qiang Wang; Shu-Li You","Synthesis of Biindolizines through Highly Regioselective Palladium-Catalyzed C-H Functionalization","Journal of Organic Chemistry","2009","74","","456","458","10.1021/jo802227u","","","0.71073","MoKα","","0.1263","0.0541","","","0.1087","0.1388","","","","","","0.863","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024249","8.915","0.0005","9.0415","0.0005","13.2976","0.0007","85.139","0.001","72.634","0.001","65.228","0.001","927.86","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C46 H60 N4 -","2","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0606","0.0536","","","0.1263","0.1308","","","","","","1.003","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024250","17.9781","0.0014","15.641","0.0012","5.618","0.0004","90","","90","","90","","1579.8","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0744","0.0575","","","0.1211","0.129","","","","","","1.003","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024251","10.7489","0.0008","5.085","0.0004","15.8645","0.0012","90","","103.529","0.002","90","","843.06","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C46 H44 N4 -","2","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0673","0.0565","","","0.1227","0.1292","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024252","12.0629","0.0015","12.869","0.0016","10.6925","0.0013","90","","91.566","0.002","90","","1659.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C84 H92 N12 -","4","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0933","0.0552","","","0.1121","0.1279","","","","","","1.005","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024253","7.3457","0.0005","23.4327","0.0016","29.416","0.002","90","","90","","90","","5063.4","0.6","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H18 S6 -","- C30 H18 S6 -","- C240 H144 S48 -","8","2","","Angelica L. P. Cornacchio; Jacquelyn T. Price; Michael C. Jennings; Robert McDonald; Viktor N. Staroverov; Nathan D. Jones","Meta-Substituted Thienyl Benzenes: A Comparative Synthetic, Structural and Computational Study","Journal of Organic Chemistry","2009","74","","530","544","10.1021/jo801771d","","","0.71073","MoKα","","0.1214","0.0609","","","0.1189","0.1463","","","","","","1.045","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024254","12.6544","0.0005","12.8296","0.0005","10.1259","0.0005","90","","100.168","0.002","90","","1618.13","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S2 -","- C20 H13 F S2 -","- C80 H52 F4 S8 -","4","1","","Angelica L. P. Cornacchio; Jacquelyn T. Price; Michael C. Jennings; Robert McDonald; Viktor N. Staroverov; Nathan D. Jones","Meta-Substituted Thienyl Benzenes: A Comparative Synthetic, Structural and Computational Study","Journal of Organic Chemistry","2009","74","","530","544","10.1021/jo801771d","","","0.71073","MoKα","","0.0542","0.0433","","","0.1452","0.1533","","","","","","1.175","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024255","9.7008","0.0007","11.2343","0.0008","16.6045","0.0012","90","","90","","90","","1809.6","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N4 O4 S -","- C16 H20 N4 O4 S -","- C64 H80 N16 O16 S4 -","4","1","","Debatosh Majumdar; Matthew D. Alexander; James K. Coward","Synthesis of Isopeptide Epoxide Peptidomimetics","Journal of Organic Chemistry","2009","74","","617","627","10.1021/jo801907p","","","0.71073","MoKα","","0.0329","0.0285","","","0.0727","0.0755","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024256","14.2915","0.0006","4.2258","0.0002","16.0431","0.0006","90","","113.905","0.001","90","","885.78","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Rahul Bhattacharya; Ananta Kumar Atta; Debanjana Dey; Tanmaya Pathak","Densely Functionalized Chiral Pyrroles from Endocyclic, Exocyclic, and Acyclic Vinyl Sulfone-Modified Carbohydrates","Journal of Organic Chemistry","2009","74","","669","674","10.1021/jo801948m","","","0.71073","MoKα","","0.0493","0.0408","","","0.1065","0.1143","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024257","9.4862","0.0016","8.3879","0.0014","24.325","0.004","90","","90","","90","","1935.6","0.6","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Weimin Lin; Cory R. Theberge; Timothy J. Henderson; Charles K. Zercher; Jerry Jasinski; Ray. J. Butcher","Stereoselective Formation of a Functionalized Dipeptide Isostere by Zinc Carbenoid-Mediated Chain Extension","Journal of Organic Chemistry","2009","74","","645","651","10.1021/jo801993k","","","0.71073","MoKα","","0.0382","0.0346","","","0.0883","0.0906","","","","","","1.043","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024258","25.4815","0.0008","21.1342","0.0008","19.4278","0.0007","90","","111.556","0.003","90","","9730.7","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H104 O27 P6 -","- C106 H104 O27 P6 -","- C424 H416 O108 P24 -","4","0.5","","Cécile Givelet; Bernard Tinant; Luc Van Meervelt; Thierry Buffeteau; Nathalie Marchand-Geneste; Brigitte Bibal","Polyphosphorylated Triphenylenes: Synthesis, Crystal Structure, and Selective Catechol Recognition","Journal of Organic Chemistry","2009","74","","652","659","10.1021/jo802015k","","","1.54178","CuKα","","0.0604","0.049","","","0.118","0.1273","","","","","","1.027","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024259","8.3521","0.0002","15.6627","0.0003","17.7796","0.0004","74.325","0.001","89.989","0.002","77.082","0.001","2178.19","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N O6 -","- C22 H18 Br N O6 -","- C88 H72 Br4 N4 O24 -","4","2","","Qiuping Ding; Zhiyong Wang; Jie Wu","Tandem Electrophilic Cyclization-[3+2] Cycloaddition-Rearrangement Reactions of 2-Alkynylbenzaldoxime, DMAD, and Br2","Journal of Organic Chemistry","2009","74","","921","924","10.1021/jo802076k","","","0.71073","MoKα","","0.1009","0.0724","","","0.2266","0.2542","","","","","","1.045","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024260","22.677","0.007","8.009","0.002","22.944","0.007","90","","101.146","0.01","90","","4089","2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H10 F8 Ge -","- C24 H10 F8 Ge -","- C192 H80 F64 Ge8 -","8","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.0571","0.0356","","","0.0756","0.082","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024261","10.4531","0.0016","17.842","0.003","7.3749","0.0011","90","","99.108","0.002","90","","1358.1","0.4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 F8 Si -","- C14 H6 F8 Si -","- C56 H24 F32 Si4 -","4","0.5","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.7749","synchrotron","","0.061","0.0449","","","0.1349","0.1551","","","","","","1.1","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024262","8.29","0.003","15.227","0.005","16.829","0.005","90","","104.138","0.005","90","","2059.9","1.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F8 Sn -","- C24 H10 F8 Sn -","- C96 H40 F32 Sn4 -","4","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.0433","0.0299","","","0.0664","0.0705","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024263","31.114","0.005","15.076","0.002","23.715","0.003","90","","93.728","0.005","90","","11100","3","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F6 Ge -","- C36 H20 F6 Ge -","- C576 H320 F96 Ge16 -","16","2","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.117","0.0619","","","0.1291","0.1519","","","","","","1.026","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024264","31.107","0.006","15.01","0.003","23.668","0.004","90","","93.746","0.002","90","","11027","3","128","2","128","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F6 Si -","- C36 H20 F6 Si -","- C576 H320 F96 Si16 -","16","2","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.1023","0.0479","","","0.1097","0.1348","","","","","","0.964","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024265","7.5554","0.0012","10.6761","0.0018","15.488","0.003","108.257","0.003","94.493","0.003","107.582","0.003","1110.2","0.3","167","2","167","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.64 H10.64 F6 O P S2 -","- C25.64 H10.64 F6 O P S2 -","- C51.28 H21.28 F12 O2 P2 S4 -","2","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.073","0.0425","","","0.0935","0.0985","","","","","","0.866","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024266","28.555","0.005","15.308","0.003","14.505","0.003","90","","97.354","0.003","90","","6288","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H20 F6 Sn -","- C40 H20 F6 Sn -","- C320 H160 F48 Sn8 -","8","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.7749","synchrotron","","0.0577","0.0451","","","0.1367","0.1534","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024267","28.629","0.003","7.9029","0.0009","22.483","0.003","90","","128.944","0.002","90","","3956.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 Si -","- C24 H10 F8 Si -","- C192 H80 F64 Si8 -","8","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.0489","0.0361","","","0.0831","0.0884","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024268","12.2526","0.0019","13.692","0.002","16.757","0.003","90","","90","","90","","2811.2","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl2 N3 O4 S -","- C28 H29 Cl2 N3 O4 S -","- C112 H116 Cl8 N12 O16 S4 -","4","1","","Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo","An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines","Journal of Organic Chemistry","2009","74","","850","855","10.1021/jo802289s","","","0.7107","MoKα","","0.0313","0.0286","","","0.0602","0.0617","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024269","9.3477","0.0012","10.137","0.0014","16.035","0.002","101.292","0.002","93.471","0.003","112.752","0.004","1358.4","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N3 O4 S -","- C31 H31 N3 O4 S -","- C62 H62 N6 O8 S2 -","2","1","","Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo","An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines","Journal of Organic Chemistry","2009","74","","850","855","10.1021/jo802289s","","","0.7107","MoKα","","0.05","0.0392","","","0.0949","0.1003","","","","","","1.065","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024270","10.5847","0.001","11.1324","0.0012","13.8283","0.0015","102.842","0.002","111.425","0.003","97.179","0.001","1440.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 N3 O4.5 S -","- C33 H35 N3 O4.5 S -","- C66 H70 N6 O9 S2 -","2","1","","Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo","An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines","Journal of Organic Chemistry","2009","74","","850","855","10.1021/jo802289s","","","0.7107","MoKα","","0.0497","0.0423","","","0.1033","0.1084","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024271","8.6509","0.0009","23.526","0.002","9.9925","0.001","90","","94.525","0.002","90","","2027.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O -","- C27 H24 O -","- C108 H96 O4 -","4","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.1098","0.0641","","","0.1445","0.1645","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024272","10.37","0.003","11.442","0.003","12.838","0.003","63.725","0.005","69.34","0.005","72.309","0.005","1258.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H28 O -","- C33 H28 O -","- C66 H56 O2 -","2","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.1592","0.0822","","","0.186","0.2258","","","","","","0.877","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024273","7.5888","0.0008","15.6047","0.0017","17.3915","0.0019","90","","90","","90","","2059.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O -","- C25 H28 O -","- C100 H112 O4 -","4","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.0756","0.0523","","","0.1155","0.1254","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024274","11.5475","0.0011","14.4793","0.0014","13.9396","0.0013","90","","108.842","0.002","90","","2205.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 O -","- C27 H32 O -","- C108 H128 O4 -","4","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.0861","0.0561","","","0.1508","0.1675","","","","","","0.917","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024275","7.267","0.0006","11.5484","0.001","19.1557","0.0017","90","","93.152","0.0012","90","","1605.2","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O4 S Si2 -","- C30 H42 N2 O4 S Si2 -","- C60 H84 N4 O8 S2 Si4 -","2","1","","Jianbiao Peng; Derrick L. J. Clive","Asymmetric Synthesis of the ABC-Ring System of the Antitumor Antibiotic MPC1001","Journal of Organic Chemistry","2009","74","","513","519","10.1021/jo802344t","","","0.71073","MoKα","","0.0355","0.0328","","","0.0805","0.0823","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024276","4.398","0.0002","12.208","0.0006","8.659","0.0005","90","","102.87","0.004","90","","453.23","0.04","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C24 H16 O8 -","2","0.5","","Hirohiko Houjou; Takatoshi Motoyama; Seisaku Banno; Isao Yoshikawa; Koji Araki","Experimental and Theoretical Studies on Constitutional Isomers of 2,6-Dihydroxynaphthalene Carbaldehydes. Effects of Resonance-Assisted Hydrogen Bonding on the Electronic Absorption Spectra","Journal of Organic Chemistry","2009","74","","520","529","10.1021/jo802345f","","","1.54184","CuKα","","0.0631","0.0619","","","0.1798","0.181","","","","","","1.135","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024277","4.884","0.0005","5.964","0.0007","15.37","0.0017","90","","92.857","0.008","90","","447.14","0.09","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C24 H16 O8 -","2","0.5","","Hirohiko Houjou; Takatoshi Motoyama; Seisaku Banno; Isao Yoshikawa; Koji Araki","Experimental and Theoretical Studies on Constitutional Isomers of 2,6-Dihydroxynaphthalene Carbaldehydes. Effects of Resonance-Assisted Hydrogen Bonding on the Electronic Absorption Spectra","Journal of Organic Chemistry","2009","74","","520","529","10.1021/jo802345f","","","1.54184","CuKα","","0.1191","0.1059","","","0.2915","0.3111","","","","","","1.116","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024278","5.774","0.001","9.458","0.002","24.34","0.005","90","","90","","90","","1329.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Alexander G. Zhdanko; Valentine G. Nenajdenko","Nonracemizable Isocyanoacetates for Multicomponent Reactions","Journal of Organic Chemistry","2009","74","","884","887","10.1021/jo802420c","","","0.71073","MoKα","","0.0714","0.0362","","","0.1013","0.1091","","","","","","0.947","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024279","12.314","0.004","15.29","0.004","18.582","0.006","90","","103.989","0.013","90","","3395","1.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H40 Cl2 Rh2 -","- C42 H40 Cl2 Rh2 -","- C168 H160 Cl8 Rh8 -","4","2","","Ryo Shintani; Yoshitaka Ichikawa; Keishi Takatsu; Fu-Xue Chen; Tamio Hayashi","Tuning the Chiral Environment ofC2-Symmetric Diene Ligands: Development of 3,7-Disubstituted Bicyclo[3.3.1]nona-2,6-dienes","Journal of Organic Chemistry","2009","74","","869","873","10.1021/jo802437h","","","0.71075","MoKα","","","0.0228","","","","0.0285","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024280","9.3028","0.0002","11.6999","0.0003","21.374","0.0004","90","","90","","90","","2326.39","0.09","120","2","120","2","","","","","","","Claire Kay","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N O7 S -","- C23 H37 N O7 S -","- C92 H148 N4 O28 S4 -","4","1","","Claire L. Morris; Yulai Hu; Geoff D. Head; Lynda J. Brown; William G. Whittingham; Richard C. D. Brown","Oxidative Cyclization Reactions of Trienes and Dienynes: Total Synthesis of Membrarollin","Journal of Organic Chemistry","2009","74","","981","988","10.1021/jo802012a","","","0.71073","MoKα","","0.0663","0.0458","","","0.0917","0.1007","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024281","6.226","0.002","16.249","0.005","15.613","0.005","90","","94.785","0.007","90","","1574.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 O3 P -","- C17 H23 O3 P -","- C68 H92 O12 P4 -","4","1","","Fei Yu; Xiongdong Lian; Jinbo Zhao; Yihua Yu; Shengming Ma","CuX2-Mediated Halolactonization Reaction of Monoesters of 1,2-Allenyl Phosphonic Acids and Their Suzuki Cross-Coupling Reaction","Journal of Organic Chemistry","2009","74","","1130","1134","10.1021/jo802051r","","","0.71073","MoKα","","0.1223","0.0657","","","0.1421","0.1621","","","","","","0.924","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024282","11.6078","0.0013","12.1581","0.0014","15.6658","0.0018","90","","108.091","0.002","90","","2101.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O6 -","- C29 H18 O6 -","- C116 H72 O24 -","4","1","","Lu Wen; Xiaoling Cai; Fang Xu; Zhigang She; Wing Lai Chan; L. L. P. Vrijmoed; E. B. G. Jones; Yongcheng Lin","Three Metabolites from the Mangrove Endophytic FungusSporothrixsp. (#4335) from the South China Sea","Journal of Organic Chemistry","2009","74","","1093","1098","10.1021/jo802096q","","","0.71073","MoKα","","0.0571","0.0373","","","0.0891","0.1034","","","","","","1.026","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024283","8.6548","0.0001","18.4528","0.0001","13.3226","0.0001","90","","95.396","0.001","90","","2118.26","0.03","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 O7 -","- C29 H18 O7 -","- C116 H72 O28 -","4","1","","Lu Wen; Xiaoling Cai; Fang Xu; Zhigang She; Wing Lai Chan; L. L. P. Vrijmoed; E. B. G. Jones; Yongcheng Lin","Three Metabolites from the Mangrove Endophytic FungusSporothrixsp. (#4335) from the South China Sea","Journal of Organic Chemistry","2009","74","","1093","1098","10.1021/jo802096q","","","1.54178","CuKα","","0.0484","0.0461","","","0.1291","0.1334","","","","","","1.111","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024284","22.368","0.0007","22.368","0.0007","23.151","0.0004","90","","90","","90","","11583.1","0.6","293","","293","","","","","","","","see text","4","I 4","I 4","79","","","","- C72 H128 O62 S4 -","- C72 H80 O62 S4 -","- C288 H320 O248 S16 -","4","0.5","","Lukáš Kumprecht; Miloš Buděsínský; Jiří Vondrášek; Jiří Vymětal; Jiří Čěrný; Ivana Císařová; Jiří Brynda; Vladimír Herzig; Petr Koutník; Jiří Závada; Tomáš Kraus","Rigid Duplex α-Cyclodextrin Reversibly Connected With Disulfide Bonds. Synthesis and Inclusion Complexes","Journal of Organic Chemistry","2009","74","","1082","1092","10.1021/jo802139s","","x-ray","0.71073","MoKα","","0.161","0.1343","","","0.343","0.3687","","","","","","2.784","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024285","12.3707","0.0009","11.5748","0.0009","25.612","0.002","90","","90","","90","","3667.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Nathalie Chopin; Hélène Gérard; Isabelle Chataigner; Serge R. Piettre","Benzofurans as Efficient Dienophiles in Normal Electron Demand [4 + 2] Cycloadditions","Journal of Organic Chemistry","2009","74","","1237","1246","10.1021/jo802205d","","","0.71073","MoKα","","0.0593","0.0516","","","0.1492","0.1569","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024286","5.7913","0.0002","15.093","0.0008","17.9076","0.0011","90","","90","","90","","1565.27","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Arun K. Ghosh; Kai Xi","Total Synthesis of (-)-Platensimycin, a Novel Antibacterial Agent","Journal of Organic Chemistry","2009","74","","1163","1170","10.1021/jo802261f","","","0.71073","MoKα","","0.0528","0.0365","","","0.0823","0.0895","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024287","6.9518","0.0011","13.891","0.002","19.244","0.003","90","","90","","90","","1858.3","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0567","0.0332","","","0.0737","0.0849","","","","","","1.043","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024288","6.9801","0.0008","14.7897","0.0017","18.475","0.002","90","","90","","90","","1907.3","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0941","0.0479","","","0.1006","0.12","","","","","","1.021","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024289","7.2892","0.0011","12.2674","0.0019","22.715","0.004","90","","90","","90","","2031.1","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0714","0.0388","","","0.0855","0.1014","","","","","","1.044","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024290","7.2706","0.0002","14.9994","0.0003","18.4401","0.0004","90","","90","","90","","2010.98","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl N2 O4 -","- C20 H23 Cl N2 O4 -","- C80 H92 Cl4 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0505","0.036","","","0.0727","0.079","","","","","","1.057","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024291","6.9543","0.0008","14.3884","0.0016","19.721","0.002","90","","90","","90","","1973.3","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0542","0.0392","","","0.0864","0.094","","","","","","1.052","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024292","6.9085","0.0009","10.4624","0.0014","23.366","0.003","90","","90","","90","","1688.9","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C68 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0546","0.0408","","","0.0946","0.1021","","","","","","1.032","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024293","7.4134","0.0014","20.429","0.004","9.8491","0.0019","90","","104.548","0.004","90","","1443.8","0.5","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C60 H72 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.048","0.0414","","","0.0756","0.0765","","","","","","2.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024294","11.5072","0.0007","9.0242","0.0006","15.25","0.001","90","","107.625","0.001","90","","1509.27","0.17","180","1","180","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0437","0.0389","","","0.0991","0.1019","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024295","10.6791","0.0007","22.3042","0.0015","13.7749","0.0009","90","","91.13","0.001","90","","3280.4","0.4","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C136 H176 O48 -","8","2","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0689","0.0583","","","0.1208","0.1222","","","","","","2.241","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024296","22.5294","0.0012","13.8214","0.0008","10.741","0.0006","90","","90","","90","","3344.6","0.3","297","1","297","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C136 H176 O48 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0662","0.0552","","","0.1219","0.1239","","","","","","1.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024297","8.2119","0.0004","9.6137","0.0004","38.6588","0.0018","90","","90","","90","","3052","0.2","180","1","180","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0895","0.0783","","","0.1261","0.1282","","","","","","1.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024298","21.6856","0.0012","39.832","0.002","6.9889","0.0004","90","","90","","90","","6036.8","0.6","180","2","180","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C272 H352 O64 -","16","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0403","0.0372","","","0.0975","0.111","","","","","","1.458","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024299","6.8109","0.0017","20.468","0.005","10.125","0.003","90","","98.917","0.005","90","","1394.4","0.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F O4 -","- C15 H17 F O4 -","- C60 H68 F4 O16 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0549","0.0412","","","0.09","0.0958","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024300","9.6108","0.0006","9.9743","0.0006","33.578","0.002","90","","90","","90","","3218.8","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C128 H160 O32 S8 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0554","0.0458","","","0.0996","0.1053","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024301","15.3157","0.0007","16.1213","0.0011","17.3561","0.0008","108.696","0.003","112.449","0.003","101.98","0.003","3474.9","0.3","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C160 H208 O32 -","8","4","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.1758","0.0736","","","0.1779","0.2364","","","","","","1.036","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024302","15.5125","0.0006","7.6198","0.0002","14.4039","0.0007","90","","98.556","0.0019","90","","1683.62","0.11","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 F O4 -","- C18 H21 F O4 -","- C72 H84 F4 O16 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.1345","0.0534","","","0.1096","0.142","","","","","","1.005","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024303","6.0581","0.0005","9.1995","0.001","15.909","0.0017","94.029","0.005","100.953","0.006","100.439","0.006","851.03","0.15","150","1","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.1108","0.0851","","","0.2371","0.2538","","","","","","1.129","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024304","14.688","0.003","15.063","0.003","29.361","0.006","75.32","0.03","89.96","0.03","89.5","0.03","6284","2","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C288 H352 O64 -","16","8","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0885","0.0533","","","0.1212","0.1403","","","","","","1.03","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024305","8.017","0.003","12.411","0.005","18.403","0.007","90","","97.923","0.007","90","","1813.6","1.1","180","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0806","0.0556","","","0.1048","0.1257","","","","","","1.396","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024306","13.3229","0.0007","9.9293","0.0005","16.8309","0.0009","90","","110.72","0.001","90","","2082.5","0.19","180","1","180","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0771","0.0489","","","0.0743","0.0774","","","","","","1.356","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024307","8.8404","0.0014","9.4642","0.0016","13.031","0.002","94.678","0.007","103.672","0.008","92.025","0.008","1054.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O3 -","- C24 H22 Cl N3 O3 -","- C48 H44 Cl2 N6 O6 -","2","1","","Matt Nodwell; Alban Pereira; Jenna L. Riffell; Carla Zimmerman; Brian O. Patrick; Michel Roberge; Raymond J. Andersen","Synthetic Approaches to the Microtubule-Stabilizing Sponge Alkaloid Ceratamine A and Desbromo Analogues","Journal of Organic Chemistry","2009","74","","995","1006","10.1021/jo802322s","","","0.71073","MoKα","","0.0433","0.0347","","","0.0865","0.0918","","","","","","1.039","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024308","9.6611","0.0019","18.333","0.004","12.119","0.002","90","","99.36","0.03","90","","2117.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br N O3 S -","- C22 H19 Br N O3 S -","- C88 H76 Br4 N4 O12 S4 -","4","1","","Zhan-Guo Chen; Jun-Fa Wei; Run-Tao Li; Xian-Ying Shi; Peng-Fei Zhao","Copper Powder-Catalyzed Regio- and Stereoselective Aminobromination of α,β-Unsaturated Ketones with TsNH2 and NBS as Nitrogen and Halogen Sources","Journal of Organic Chemistry","2009","74","","1371","1373","10.1021/jo8023768","","","0.71073","MoKα","","0.0962","0.0631","","","0.1885","0.2146","","","","","","0.997","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024309","9.5886","0.0014","15.791","0.002","10.2752","0.0015","90","","94.358","0.003","90","","1551.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F O4 -","- C18 H15 F O4 -","- C72 H60 F4 O16 -","4","1","","Haifeng Cui; Peng Li; Zhuo Chai; Changwu Zheng; Gang Zhao; Shizheng Zhu","Facile Stereoselective Synthesis of Fluorinated Flavanone Derivatives via a One-Pot Tandem Reaction","Journal of Organic Chemistry","2009","74","","1400","1402","10.1021/jo8023818","","","0.71073","MoKα","","0.1017","0.06","","","0.1603","0.1789","","","","","","0.904","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024310","14.2858","0.0016","9.2432","0.0011","19.143","0.002","90","","92.451","0.002","90","","2525.4","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 1a","Syn-1,8-bis(2-methylnaphtyl)anthraquinone","","- C36 H24 O2 -","- C36 H24 O2 -","- C144 H96 O8 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure, Stereodynamics and Absolute Configuration of the Atropisomers of Hindered Arylanthraquinones","Journal of Organic Chemistry","2009","74","","1345","1348","10.1021/jo802383s","","","0.71073","MoKα","","0.0679","0.0471","","","0.1339","0.1426","","","","","","1.567","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024311","9.878","0.002","13.669","0.003","24.835","0.004","90","","90","","90","","3353.3","1.1","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N4 O3 -","- C36 H50 N4 O3 -","- C144 H200 N16 O12 -","4","1","","Mercedes Amat; Arantxa Gómez-Esqué; Carmen Escolano; María M. M. Santos; Elies Molins; Joan Bosch","Enantioselective Formal Synthesis of (+)-Dihydrocorynantheine and (-)-Dihydrocorynantheol","Journal of Organic Chemistry","2009","74","","1205","1211","10.1021/jo802387c","","x-ray","0.71073","MoKα","","0.1047","0.0537","","","0.114","0.1304","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024312","8.351","0.004","10.977","0.002","12.4447","0.0015","63.902","0.001","77.89","0.02","67.88","0.04","947.7","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C42 H56 N4 O6 -","2","2","","Mercedes Amat; Arantxa Gómez-Esqué; Carmen Escolano; María M. M. Santos; Elies Molins; Joan Bosch","Enantioselective Formal Synthesis of (+)-Dihydrocorynantheine and (-)-Dihydrocorynantheol","Journal of Organic Chemistry","2009","74","","1205","1211","10.1021/jo802387c","","x-ray","0.71073","MoKα","","0.0445","0.039","","","0.1039","0.1067","","","","","","1.095","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024313","7.6917","0.0011","6.6864","0.001","14.498","0.002","90","","90.221","0.002","90","","745.65","0.19","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","","Ai Ito; Hideaki Muratake; Koichi Shudo","On the Structure of 5-Nitrosotropolone","Journal of Organic Chemistry","2009","74","","1275","1281","10.1021/jo802400w","","","0.71073","MoKα","","0.0633","0.0516","","","0.13","0.1391","","","","","","1.072","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024314","12.4729","0.0013","6.9341","0.0007","14.2423","0.0015","90","","108.414","0.002","90","","1168.7","0.2","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","Ai Ito; Hideaki Muratake; Koichi Shudo","On the Structure of 5-Nitrosotropolone","Journal of Organic Chemistry","2009","74","","1275","1281","10.1021/jo802400w","","","0.71073","MoKα","","0.0475","0.0381","","","0.1013","0.1172","","","","","","1.071","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024315","7.9368","0.0009","14.6814","0.0018","14.9334","0.0017","90","","90","","90","","1740.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","1","","Guozhi Li; Xiaoxia Yang; Hongbin Zhai","Total Synthesis of (-)-5,6-Dihydrocineromycin B","Journal of Organic Chemistry","2009","74","","1356","1359","10.1021/jo802503x","","","0.71073","MoKα","","0.0843","0.0408","","","0.0822","0.096","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024316","4.8141","0.0006","26.756","0.003","11.7103","0.0013","90","","100.596","0.005","90","","1482.6","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 S2 -","- C15 H17 N O2 S2 -","- C60 H68 N4 O8 S8 -","4","2","","Antonio Osorio-Lozada; Horacio F. Olivo","Diastereoselective Preparation of Substituted δ-Valerolactones. Synthesis of (3R,4S)- and (3R,4R)-Simplactones","Journal of Organic Chemistry","2009","74","","1360","1363","10.1021/jo8025548","","","0.71073","MoKα","","0.0886","0.0497","","","0.0789","0.0913","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024317","11.224","0.003","13.322","0.003","24.853","0.006","92.41","0.007","94.883","0.006","90.353","0.007","3699","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H88 F12 N6 O14 P2 -","- C65 H82 F12 N6 O14 P2 -","- C130 H164 F24 N12 O28 P4 -","2","1","","Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang","Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host","Journal of Organic Chemistry","2009","74","","1322","1328","10.1021/jo802683d","","","0.71073","MoKα","","0.3018","0.0968","","","0.2403","0.3331","","","","","","0.756","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024318","11.1724","0.0008","21.4002","0.0015","24.7859","0.0017","90","","96.294","0.002","90","","5890.4","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H76 Cl2 N6 O15 -","- C56 H75 Cl2 N6 O15 -","- C224 H300 Cl8 N24 O60 -","4","1","","Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang","Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host","Journal of Organic Chemistry","2009","74","","1322","1328","10.1021/jo802683d","","","0.71073","MoKα","","0.118","0.0651","","","0.1698","0.227","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024319","29.399","0.006","11.476","0.002","20.644","0.004","90","","109.29","0.03","90","","6574","3","100","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 F6 N4 O18 -","- C62 H70 F6 N4 O18 -","- C248 H280 F24 N16 O72 -","4","0.5","","Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang","Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host","Journal of Organic Chemistry","2009","74","","1322","1328","10.1021/jo802683d","","","0.71073","MoKα","","0.2186","0.1612","","0.3031","0.2573","0.2573","","","","","","0.981","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024320","10.891","0.002","11.815","0.002","14.87","0.002","90","","106.25","0.002","90","","1836.9","0.4","157.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","","Alfred L. Bowie; Dirk Trauner","Total Synthesis of (\±)-Rhazinal Using Novel Palladium-Catalyzed Cyclizations","Journal of Organic Chemistry","2009","74","","1581","1586","10.1021/jo801791j","","","0.7107","MoKα","","0.0495","0.039","","0.0599","","0.0569","","","","","","1.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024321","11.3544","0.0012","10.2479","0.0011","14.9114","0.0016","90","","110.991","0.003","90","","1619.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C80 H64 O20 -","4","1","","Saroj R. De; Sujit K. Ghorai; Dipakranjan Mal","Synthesis and Rearrangement of Quinone-Embedded Epoxycyclopentenones: A New Avenue to Pyranonaphthoquinones and Indenopyranones","Journal of Organic Chemistry","2009","74","","1598","1604","10.1021/jo801961w","","","0.71073","MoKα","","0.0739","0.0451","","","0.1141","0.1345","","","","","","1.015","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024322","31.07","0.013","6.12","0.002","26.375","0.012","90","","109.59","0.016","90","","4725","3","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 F3 O P Se -","- C27 H20 F3 O P Se -","- C216 H160 F24 O8 P8 Se8 -","8","1","","Shin-ichi Kawaguchi; Takamune Shirai; Takashi Ohe; Akihiro Nomoto; Motohiro Sonoda; Akiya Ogawa","Highly Regioselective Simultaneous Introduction of Phosphino and Seleno Groups into Unsaturated Bonds by the Novel Combination of (Ph2P)2 and (PhSe)2 upon Photoirradiation","Journal of Organic Chemistry","2009","74","","1751","1754","10.1021/jo8020067","","","0.71075","MoKα","","","0.0889","","","","0.1006","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024323","19.493","0.007","5.7226","0.0016","21.742","0.01","90","","92.909","0.018","90","","2422.3","1.5","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 O P Se -","- C27 H29 O P Se -","- C108 H116 O4 P4 Se4 -","4","1","","Shin-ichi Kawaguchi; Takamune Shirai; Takashi Ohe; Akihiro Nomoto; Motohiro Sonoda; Akiya Ogawa","Highly Regioselective Simultaneous Introduction of Phosphino and Seleno Groups into Unsaturated Bonds by the Novel Combination of (Ph2P)2 and (PhSe)2 upon Photoirradiation","Journal of Organic Chemistry","2009","74","","1751","1754","10.1021/jo8020067","","","0.71075","MoKα","","","0.0741","","","","0.0812","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024324","19.973","0.006","12.492","0.003","29.095","0.008","90","","99.179","0.003","90","","7166","3","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","carbonyl(1,1,1, 3,3,3-hexafluoropropan-2-olato-kO)bis(triphenylphosphane)rhodium(I)","","- C40 H31 F6 O2 P2 Rh -","- C40 H31 F6 O2 P2 Rh -","- C320 H248 F48 O16 P16 Rh8 -","8","2","","Akio Saito; Shoko Oda; Haruhiko Fukaya; Yuji Hanzawa","Rhodium(I)-Catalyzed Synthesis of Indoles: Amino-Claisen Rearrangement of N-Propargylanilines","Journal of Organic Chemistry","2009","74","","1517","1524","10.1021/jo8022523","","","0.71073","MoKα","","0.0435","0.0327","","","0.0747","0.0798","","","","","","1.033","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024325","28.0388","0.0009","28.0388","0.0009","28.6416","0.0012","90","","90","","120","","19500.5","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H31 N5 O3 -","- C20 H31 N5 O3 -","- C720 H1116 N180 O108 -","36","2","","Paweł Dydio; Tomasz Zieliński; Janusz Jurczak","Bishydrazide Derivatives of Isoindoline as Simple Anion Receptors","Journal of Organic Chemistry","2009","74","","1525","1530","10.1021/jo802288u","","","0.71073","MoKα","","0.0969","0.0487","","","0.1467","0.1694","","","","","","1.04","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024326","11.9318","0.0007","26.3198","0.0016","13.4817","0.0008","90","","99.839","0.005","90","","4171.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N6 O4 -","- C45 H58 N6 O4 -","- C180 H232 N24 O16 -","4","1","","Paweł Dydio; Tomasz Zieliński; Janusz Jurczak","Bishydrazide Derivatives of Isoindoline as Simple Anion Receptors","Journal of Organic Chemistry","2009","74","","1525","1530","10.1021/jo802288u","","","0.71073","MoKα","","0.0715","0.0326","","","0.063","0.0696","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024327","8.9881","0.0007","13.7561","0.001","14.6616","0.0011","90","","90","","90","","1812.8","0.2","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl phomopsenonate","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Tomonobu Toyomasu; Akane Kaneko; Tetsuo Tokiwano; Yuya Kanno; Yuri Kanno; Rie Niida; Shigeyoshi Miura; Taiki Nishioka; Chiho Ikeda; Wataru Mitsuhashi; Tohru Dairi; Tomikazu Kawano; Hideaki Oikawa; Nobuo Kato; Takeshi Sassa","Biosynthetic Gene-Based Secondary Metabolite Screening: A New Diterpene, Methyl Phomopsenonate, from the FungusPhomopsis amygdali","Journal of Organic Chemistry","2009","74","","1541","1548","10.1021/jo802319e","","","1.54187","CuKα","","","0.0245","","","","0.028","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024328","7.357","0.0011","12.3496","0.0018","9.3845","0.0014","90","","110.454","0.002","90","","798.9","0.2","373","2","373","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","","D. Scott Bohle; Inna Perepichka","A New Synthetic Route to 3-Oxo-4-amino-1,2,3-oxadiazole from the Diazeniumdiolation of Benzyl Cyanide: Stable Sydnone Iminium N-Oxides","Journal of Organic Chemistry","2009","74","","1621","1626","10.1021/jo802343k","","","0.71073","MoKα","","0.0414","0.0364","","","0.1","0.1055","","","","","","1.011","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024329","9.708","0.0004","8.0824","0.0003","10.4785","0.0004","90","","115.463","0.002","90","","742.32","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O7 -","- C13 H20 N2 O7 -","- C26 H40 N4 O14 -","2","1","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0387","0.0358","","","0.1128","0.1144","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024330","6.6368","0.0003","9.9471","0.0005","19.9623","0.0011","90","","90","","90","","1317.85","0.11","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O6 -","- C13 H18 N2 O6 -","- C52 H72 N8 O24 -","4","1","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0336","0.0304","","","0.0812","0.0824","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024331","11.2038","0.0009","13.1226","0.0009","16.2129","0.0013","90","","103.267","0.003","90","","2320.1","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O8 S -","- C22 H28 N2 O8 S -","- C88 H112 N8 O32 S4 -","4","2","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0427","0.0352","","","0.0821","0.0848","","","","","","1.071","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024332","7.0568","0.0002","24.1906","0.0008","10.8673","0.0004","90","","101.291","0.002","90","","1819.23","0.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","2","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0305","0.0289","","","0.0766","0.0773","","","","","","1.044","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024333","9.8651","0.0012","11.3312","0.0013","24.133","0.003","90","","90","","90","","2697.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl [2-methyl 5-acetamido-4-morpholin-4-yl-7,8,9- tri-O-acetyl-3,5-dideoxy-D-glycerol-alfa-D-galacto-non-2- ulopyranosid]onate","","- C23 H36 N2 O12 -","- C23 H36 N2 O12 -","- C92 H144 N8 O48 -","4","1","","Deju Ye; Wenfeng Liu; Dengyou Zhang; Enguang Feng; Hualiang Jiang; Hong Liu","Efficient Dehydrative Sialylation of C-4-Aminated Sialyl-Hemiketal Donors with Ph2SO/Tf2O","Journal of Organic Chemistry","2009","74","","1733","1735","10.1021/jo802396a","","","0.71073","MoKα","","0.0684","0.0561","","","0.1382","0.1447","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024334","7.157","0.003","10.618","0.004","20.531","0.008","90","","90","","90","","1560.1","1","293.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N O3 -","- C16 H24 N O3 -","- C64 H96 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0416","","","","0.0505","","","","","","1.433","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024335","7.2075","0.0008","10.4013","0.0012","12.3538","0.0014","90","","98.287","0.002","90","","916.46","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C38 H58 N2 O6 -","2","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0598","0.0487","","","0.1323","0.1428","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024336","10.4278","0.0008","12.275","0.001","13.8915","0.0011","90","","90","","90","","1778.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F N O3 -","- C19 H22 F N O3 -","- C76 H88 F4 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0486","0.0406","","","0.1204","0.128","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024337","7.5477","0.0005","13.3662","0.0008","19.4035","0.0012","90","","90","","90","","1957.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0474","0.0377","","","0.1175","0.1279","","","","","","0.94","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024338","9.937","0.006","13.512","0.007","12.023","0.007","90","","100.595","0.009","90","","1586.9","0.1","173.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H24 N O3 -","- C64 H96 N4 O12 -","4","2","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0429","","","","0.0556","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024339","10.107","0.002","12.684","0.002","13.025","0.002","90","","90","","90","","1669.7","0.5","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 -","- C19 H22 N O3 -","- C76 H88 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0415","","","","0.0552","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024340","10.222","0.003","13.002","0.004","38.53","0.01","90","","90","","90","","5120.4","0.2","173.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F N O3 -","- C19 H21 F N O3 -","- C228 H252 F12 N12 O36 -","12","3","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0515","","","","0.075","","","","","","0.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024341","10.349","0.004","13.271","0.004","13.249","0.005","90","","90","","90","","1819","1","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 -","- C20 H24 N O4 -","- C80 H96 N4 O16 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0472","","","","0.0597","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024342","15.8347","0.0008","10.7323","0.0009","11.2665","0.0009","90","","97.153","0.004","90","","1899.8","0.2","293","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 F4 N O4 -","- C18 H23 F4 N O4 -","- C72 H92 F16 N4 O16 -","4","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","A Highly Regioselective Ring-Opening Metathesis-Cross Metathesis Process Modulated by the Electronic Effects of the Cross Metathesis Partner: An Entry to Quaternary Prolines","Journal of Organic Chemistry","2009","74","","1736","1739","10.1021/jo802399k","","","0.71073","MoKα","","0.0647","0.0467","","","0.095","0.1055","","","","","","1.059","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024343","9.3859","0.0005","10.639","0.0006","10.8902","0.0006","111.883","0.003","90.183","0.002","102.146","0.002","982.51","0.09","293","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 F3 N O4 S -","- C18 H24 F3 N O4 S -","- C36 H48 F6 N2 O8 S2 -","2","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","A Highly Regioselective Ring-Opening Metathesis-Cross Metathesis Process Modulated by the Electronic Effects of the Cross Metathesis Partner: An Entry to Quaternary Prolines","Journal of Organic Chemistry","2009","74","","1736","1739","10.1021/jo802399k","","","0.71073","MoKα","","0.0904","0.0573","","","0.1351","0.1591","","","","","","1.021","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024344","25.902","0.004","28.819","0.004","8.794","0.002","90","","90","","90","","6564","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","methyl 2,4-dimethyl-1,3-dioxo-7-(trifluoromethyl)-2,3,3a,4,9,9a- hexahydro-1H-benzo[f]isoindole-4-carboxylate","","- C17 H16 F3 N O4 -","- C17 H16 F3 N O4 -","- C272 H256 F48 N16 O64 -","16","1","","Manon Chaumontet; Pascal Retailleau; Olivier Baudoin","Cycloadditions of 1,1-Disubstituted Benzocyclobutenes Obtained by C(sp3)-H Activation","Journal of Organic Chemistry","2009","74","","1774","1776","10.1021/jo802471u","","","0.7107","MoKα","","0.0511","0.0365","","","0.0884","0.0957","","","","","","1.042","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024345","13.432","0.003","6.906","0.002","19.147","0.003","90","","113.59","0.01","90","","1627.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-methyl-1,3-dioxo-4-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f] isoindole-4-carboxylate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Manon Chaumontet; Pascal Retailleau; Olivier Baudoin","Cycloadditions of 1,1-Disubstituted Benzocyclobutenes Obtained by C(sp3)-H Activation","Journal of Organic Chemistry","2009","74","","1774","1776","10.1021/jo802471u","","","0.7107","MoKα","","0.0803","0.0489","","","0.1222","0.1405","","","","","","1.022","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024346","8.4404","0.0013","6.8469","0.001","10.5269","0.0016","90","","104.712","0.003","90","","588.41","0.15","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","00437a","","","- C14 H20 B N -","- C14 H20 B N -","- C28 H40 B2 N2 -","2","0.5","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","0.71073","MoKα","","0.0555","0.0466","","","0.1223","0.1317","","","","","","1.095","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024347","6.6529","0.0003","10.6665","0.0006","19.3817","0.001","90","","94.689","0.003","90","","1370.78","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","01011a","","","- C16 H28 B N -","- C16 H28 B N -","- C64 H112 B4 N4 -","4","1","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","0.71073","MoKα","","0.0671","0.0513","","","0.1377","0.1451","","","","","","1.036","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024348","6.9875","0.001","15.011","0.002","16.556","0.002","90","","90","","90","","1736.5","0.4","153","2","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H14 B N -","- C8 H14 B N -","- C64 H112 B8 N8 -","8","0.5","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","","","","","","","","","","","","","","","","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4024349","5.1367","0.0002","11.0649","0.0005","25.2522","0.0011","90","","90","","90","","1435.26","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C64 H56 Br4 N4 O8 -","4","1","","Limin Yang; Bin Tan; Fei Wang; Guofu Zhong","An Unexpected N-Heterocyclic Carbene-Catalyzed Annulation of Enals and Nitroso Compounds","Journal of Organic Chemistry","2009","74","","1744","1746","10.1021/jo802515g","","","0.71073","MoKα","","0.0396","0.0295","","","0.0746","0.0959","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024350","13.875","0.003","6.1786","0.0012","15.772","0.003","90","","101.37","0.03","90","","1325.6","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 O4 -","- C11 H22 O4 -","- C44 H88 O16 -","4","1","","Dnyaneshwar Gawas; Uli Kazmaier","Highly Diastereoselectiveanti-Aldol Reactions of Glycolate Titanium Enolates","Journal of Organic Chemistry","2009","74","","1788","1790","10.1021/jo8025466","","","0.71073","MoKα","","0.1024","0.0476","","","0.1041","0.1192","","","","","","0.821","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024351","5.6973","0.0004","9.7733","0.001","15.2597","0.0015","76.194","0.004","79.635","0.005","85.476","0.005","811.09","0.13","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Praew Thansandote; David G. Hulcoop; Michael Langer; Mark Lautens","Palladium-Catalyzed Annulation of Haloanilines and Halobenzamides Using Norbornadiene as an Acetylene Synthon: A Route to Functionalized Indolines, Isoquinolinones, and Indoles","Journal of Organic Chemistry","2009","74","","1673","1678","10.1021/jo802604g","","","0.71073","MoKα","","0.0996","0.0565","","","0.1289","0.1558","","","","","","1.013","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024352","6.171","0.001","18.048","0.003","13.106","0.002","90","","96.19","0.01","90","","1451.2","0.4","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-diisopropyl-3-(4'-hydroxyphenyl)-6-oxo-verdazyl","","- C14 H19 N4 O2 -","- C14 H19 N4 O2 -","- C56 H76 N16 O8 -","4","1","","Victoria Chemistruck; Dallas Chambers; David J. R. Brook","Structure-Property Relationships of Stable Free Radicals: Verdazyls with Electron-Rich Aryl Substituents","Journal of Organic Chemistry","2009","74","","1850","1857","10.1021/jo8019829","","x-ray","0.71073","MoKα","","","0.0532","","","","0.1463","","","","","","1.119","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024353","20.034","0.004","7.8517","0.0013","20.191","0.003","90","","90","","90","","3176.1","0.9","293","2","296","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","1,5-diisopropyl-3-(2'-methoxyphenyl)-6-oxo-verdazyl","","- C15 H21 N4 O2 -","- C15 H21 N4 O2 -","- C120 H168 N32 O16 -","8","2","","Victoria Chemistruck; Dallas Chambers; David J. R. Brook","Structure-Property Relationships of Stable Free Radicals: Verdazyls with Electron-Rich Aryl Substituents","Journal of Organic Chemistry","2009","74","","1850","1857","10.1021/jo8019829","","","0.71073","MoKα","","0.0605","0.0413","","","0.094","0.1039","","","","","","0.999","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024354","5.9277","0.0005","21.445","0.0015","9.0875","0.0006","90","","99.284","0.008","90","","1140.07","0.15","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","","Chanchal K. Malik; Ram Naresh Yadav; Michael G. B. Drew; Subrata Ghosh","Synthesis of Fused Cyclic Systems Containing Medium-Sized Rings through Tandem ROM-RCM of Norbornene Derivatives Embedded in a Carbohydrate Template","Journal of Organic Chemistry","2009","74","","1957","1963","10.1021/jo802077t","","","0.71073","MoKα","","0.193","0.0877","","","0.1269","0.1609","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024355","18.01","0.004","10.186","0.002","18.01","0.004","90","","113.591","0.004","90","","3027.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","2","","Michal Szostak; Lei Yao; Jeffrey Aubé","Stability of Medium-Bridged Twisted Amides in Aqueous Solutions","Journal of Organic Chemistry","2009","74","","1869","1875","10.1021/jo802192v","","","0.71073","MoKα","","0.0644","0.0453","","","0.0883","0.0946","","","","","","0.99","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024356","20.9948","0.0008","20.9948","0.0008","6.782","0.0005","90","","90","","90","","2989.4","0.3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H104 Cl5 N4 Na O8 -","- C52 H104 Cl5 N4 Na O8 -","- C104 H208 Cl10 N8 Na2 O16 -","2","0.25","","Michal Szostak; Lei Yao; Jeffrey Aubé","Stability of Medium-Bridged Twisted Amides in Aqueous Solutions","Journal of Organic Chemistry","2009","74","","1869","1875","10.1021/jo802192v","","","0.71073","MoKα","","0.0491","0.045","","","0.1166","0.1192","","","","","","1.03","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4024357","24.687","0.003","7.2684","0.0008","16.2726","0.0017","90","","98.9548","0.0019","90","","2884.2","0.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 O3 S -","- C12 H16 Cl2 O3 S -","- C96 H128 Cl16 O24 S8 -","8","2","","Jacob S. Kanady; John D. Nguyen; Joseph W. Ziller; Christopher D. Vanderwal","Synthesis and Characterization of All Four Diastereomers of 3,4-Dichloro-2-pentanol, Motifs Relevant to the Chlorosulfolipids","Journal of Organic Chemistry","2009","74","","2175","2178","10.1021/jo802390e","","","0.71073","MoKα","","0.04","0.0346","","","0.0811","0.0833","","","","","","1.065","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024358","7.5215","0.0004","10.2918","0.0005","10.5956","0.0009","111.58","0.001","100.594","0.001","104.776","0.001","701.45","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl2 O3 S -","- C12 H16 Cl2 O3 S -","- C24 H32 Cl4 O6 S2 -","2","1","","Jacob S. Kanady; John D. Nguyen; Joseph W. Ziller; Christopher D. Vanderwal","Synthesis and Characterization of All Four Diastereomers of 3,4-Dichloro-2-pentanol, Motifs Relevant to the Chlorosulfolipids","Journal of Organic Chemistry","2009","74","","2175","2178","10.1021/jo802390e","","","0.71073","MoKα","","0.0252","0.0243","","","0.0685","0.0693","","","","","","1.039","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024359","11.671","0.0007","7.3634","0.0004","16.6829","0.001","90","","96.886","0.001","90","","1423.36","0.14","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 O3 S -","- C12 H16 Cl2 O3 S -","- C48 H64 Cl8 O12 S4 -","4","1","","Jacob S. Kanady; John D. Nguyen; Joseph W. Ziller; Christopher D. Vanderwal","Synthesis and Characterization of All Four Diastereomers of 3,4-Dichloro-2-pentanol, Motifs Relevant to the Chlorosulfolipids","Journal of Organic Chemistry","2009","74","","2175","2178","10.1021/jo802390e","","","0.71073","MoKα","","0.0383","0.0358","","","0.0938","0.0957","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024360","8.432","0.002","20.859","0.003","31.946","0.005","90","","93.844","0.002","90","","5606.1","1.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","28,28-dimethyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.11.3]nonacosane","","- C26 H50 O4 Si -","- C26 H50 O4 Si -","- C208 H400 O32 Si8 -","8","2","","Alexander O. Terent'ev; Maxim M. Platonov; Anna I. Tursina; Vladimir V. Chernyshev; Gennady I. Nikishin","Ring Contraction of 1,2,4,5,7,8-Hexaoxa-3-silonanes by Selective Reduction of COOSi Fragments. Synthesis of New Silicon-Containing Rings, 1,3,5,6-Tetraoxa-2-silepanes","Journal of Organic Chemistry","2009","74","","1917","1922","10.1021/jo8023957","","x-ray","1.54184","CuKα","","0.3184","0.0844","","","0.1809","0.2572","","","","","","0.894","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024361","17.659","0.007","18.624","0.008","8.505","0.003","91.07","0.02","96.37","0.04","88.63","0.02","2778.7","1.9","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","28,28-dimethyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.11.3]nonacosane","","- C26 H50 O4 Si -","- C26 H50 O4 Si -","- C104 H200 O16 Si4 -","4","2","","Alexander O. Terent'ev; Maxim M. Platonov; Anna I. Tursina; Vladimir V. Chernyshev; Gennady I. Nikishin","Ring Contraction of 1,2,4,5,7,8-Hexaoxa-3-silonanes by Selective Reduction of COOSi Fragments. Synthesis of New Silicon-Containing Rings, 1,3,5,6-Tetraoxa-2-silepanes","Journal of Organic Chemistry","2009","74","","1917","1922","10.1021/jo8023957","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0435","2.194","","","","","","","has coordinates","209101","2020-10-21","18:00:00",""
"4024362","8.7421","0.0001","17.848","0.0003","12.4786","0.0002","90","","90","","90","","1947.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Paquette 1573","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0664","0.0399","","","0.0896","0.0999","","","","","","1.01","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024363","8.6296","0.0001","13.9375","0.0001","18.687","0.0002","101.625","0.003","95.611","0.003","98.74","0.003","2156.68","0.04","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Paquette 1598","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","2","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.06","0.0406","","","0.1071","0.1169","","","","","","1.053","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024364","25.5577","0.0003","27.3903","0.0003","12.1987","0.0001","90","","90","","90","","8539.49","0.15","293","2","293","2","","","","","","","synthesis as described","4","F d d 2","F 2 -2d","43","Paquette 1597","","","- C26 H22 N2 O5 -","- C26 H22 N2 O5 -","- C416 H352 N32 O80 -","16","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0517","0.0364","","","0.0834","0.0901","","","","","","1.023","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024365","7.3446","0.0001","11.9258","0.0002","11.857","0.0002","90","","95.691","0.001","90","","1033.44","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Paquette 1593","","","- C11 H9 N O2 S -","- C11 H9 N O2 S -","- C44 H36 N4 O8 S4 -","4","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0563","0.0365","","","0.0958","0.1044","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024366","10.0258","0.0014","10.2798","0.0015","16.313","0.002","88.121","0.003","76.794","0.003","65.924","0.003","1490.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 Br N O4 S -","- C33 H28 Br N O4 S -","- C66 H56 Br2 N2 O8 S2 -","2","1","","Xiao-Yang Guan; Min Shi","Phosphine-Mediated [3+2] Cycloaddition Reactions of Ethyl 5,5-Diarylpenta-2,3,4-trienoates with Arylmethylidenemalononitriles and N-Tosylimines","Journal of Organic Chemistry","2009","74","","1977","1981","10.1021/jo802489t","","","0.71073","MoKα","","0.1093","0.0627","","","0.1457","0.1727","","","","","","0.877","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024367","10.2036","0.001","11.2203","0.0011","11.5131","0.0012","84.328","0.002","66.732","0.002","79.838","0.002","1191.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Cl N2 O2 -","- C29 H21 Cl N2 O2 -","- C58 H42 Cl2 N4 O4 -","2","1","","Xiao-Yang Guan; Min Shi","Phosphine-Mediated [3+2] Cycloaddition Reactions of Ethyl 5,5-Diarylpenta-2,3,4-trienoates with Arylmethylidenemalononitriles and N-Tosylimines","Journal of Organic Chemistry","2009","74","","1977","1981","10.1021/jo802489t","","","0.71073","MoKα","","0.0722","0.0593","","","0.1626","0.1731","","","","","","1.055","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024368","24.3555","0.0007","9.3452","0.0003","26.4861","0.0008","90","","113.904","0.003","90","","5511.3","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H25 B Cl F2 N3 -","- C33.5 H24 B Cl F2 N3 -","- C268 H192 B8 Cl8 F16 N24 -","8","1","","Erik Lager; Jianzhao Liu; Angélica Aguilar-Aguilar; Ben Zhong Tang; Eduardo Peña-Cabrera","Novelmeso-Polyarylamine-BODIPY Hybrids: Synthesis and Study of Their Optical Properties","Journal of Organic Chemistry","2009","74","","2053","2058","10.1021/jo802519b","","","1.54184","CuKα","","0.0874","0.058","","","0.134","0.1495","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024369","8.632","0.001","14.784","0.003","21.883","0.005","74.74","0.02","80.49","0.02","74.47","0.02","2582.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl2 N4 O4 S Si -","- C20 H30 Cl2 N4 O4 S Si -","- C80 H120 Cl8 N16 O16 S4 Si4 -","4","2","","Valérie Declerck; Loic Toupet; Jean Martinez; Frédéric Lamaty","Selective [3 + 2] Huisgen Cycloaddition. Synthesis of Trans-Disubstituted Triazolodiazepines from Aza-Baylis-Hillman Adducts","Journal of Organic Chemistry","2009","74","","2004","2007","10.1021/jo802533d","","","0.71069","MoKα","","0.172","0.1147","","","0.3528","0.3702","","","","","","1.201","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024370","8.1701","0.0004","19.146","0.0009","20.1433","0.0009","80.168","0.002","79.911","0.002","82.436","0.002","3039.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 Cl14 O2 Sb2 -","- C54.866 H44.019 Cl13.95 O2 Sb2 -","- C109.732 H88.038 Cl27.9 O4 Sb4 -","2","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0702","0.0511","","","0.1075","0.1134","","","","","","1.027","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024371","10.9084","0.0002","7.7113","0.0001","17.1754","0.0003","90","","90","","90","","1444.76","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C72 H48 Br8 -","4","0.5","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0263","0.0258","","","0.0664","0.0668","","","","","","1.134","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024372","13.4025","0.0003","14.1016","0.0003","32.0118","0.0006","90","","90","","90","","6050.1","0.2","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H30 -","- C44 H30 -","- C352 H240 -","8","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0321","0.0285","","","0.0753","0.0775","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024373","7.1033","0.0001","27.2058","0.0004","15.6121","0.0003","90","","99.047","0.001","90","","2979.52","0.08","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 -","- C44 H30 -","- C176 H120 -","4","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0302","0.0282","","","0.0711","0.0724","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024374","15.6346","0.0002","9.3962","0.0001","23.8279","0.0003","90","","106.506","0.001","90","","3356.2","0.07","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C184 H136 O8 -","4","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0326","0.0306","","","0.0824","0.0841","","","","","","0.947","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024375","6.2204","0.0001","28.4415","0.0005","9.5979","0.0002","90","","96.922","0.001","90","","1685.66","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 O4 -","- C46 H34 O4 -","- C92 H68 O8 -","2","0.5","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0398","0.0346","","","0.091","0.0943","","","","","","0.986","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024376","18.7319","0.0009","14.0417","0.0006","24.5674","0.0011","90","","96.357","0.003","90","","6422.2","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 -","- C42 H42 -","- C336 H336 -","8","2","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0826","0.0705","","","0.1965","0.2054","","","","","","1.04","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024377","6.65","0.0002","11.3864","0.0003","11.6666","0.0003","113.84","0.002","92.775","0.001","93.205","0.002","804.31","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 B O3 -","- C17 H25 B O3 -","- C34 H50 B2 O6 -","2","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0376","0.0316","","","0.085","0.0885","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024378","22.004","0.012","14.111","0.008","15.11","0.008","90","","100.015","0.01","90","","4620","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","carboxymethyl-tri-n-tetradecylphosphonium bromide","","- C44 H90 Br O2 P -","- C44 H90 Br O2 P -","- C176 H360 Br4 O8 P4 -","4","1","","Kefeng Ma; Kwang-Ming Lee; Liliya Minkova; Richard G. Weiss","Design Criteria for Ionic Liquid Crystalline Phases of Phosphonium Salts with Three Equivalent Longn-Alkyl Chains","Journal of Organic Chemistry","2009","74","","2088","2098","10.1021/jo802605k","","","0.71073","MoKα","","0.3876","0.0484","","","0.0995","0.1709","","","","","","0.551","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024379","21.568","0.003","14.199","0.002","15.455","0.002","90","","96.566","0.003","90","","4701.9","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","amidomethyl-tri-tetradecylphosphonium bromide","","- C44 H91 Br N O P -","- C44 H91 Br N O P -","- C176 H364 Br4 N4 O4 P4 -","4","1","","Kefeng Ma; Kwang-Ming Lee; Liliya Minkova; Richard G. Weiss","Design Criteria for Ionic Liquid Crystalline Phases of Phosphonium Salts with Three Equivalent Longn-Alkyl Chains","Journal of Organic Chemistry","2009","74","","2088","2098","10.1021/jo802605k","","","0.71073","MoKα","","0.1867","0.0368","","","0.076","0.1158","","","","","","0.73","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024380","9.2652","0.0009","13.7631","0.0013","31.772","0.003","90","","90","","90","","4051.5","0.7","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C192 H176 N16 O16 S8 -","8","2","","Xiao-Long Qiu; Jiewen Zhu; Guikai Wu; Wen-Hwa Lee; A. Richard Chamberlin","Stereoselective Synthesis of Chiral IBR2 Analogues","Journal of Organic Chemistry","2009","74","","2018","2027","10.1021/jo802607f","","","0.71073","MoKα","","0.0565","0.0366","","","0.0732","0.0819","","","","","","1.054","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024381","8.4153","0.0009","13.8166","0.0014","17.6679","0.0018","90","","90","","90","","2054.3","0.4","155","2","155","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Xiao-Long Qiu; Jiewen Zhu; Guikai Wu; Wen-Hwa Lee; A. Richard Chamberlin","Stereoselective Synthesis of Chiral IBR2 Analogues","Journal of Organic Chemistry","2009","74","","2018","2027","10.1021/jo802607f","","","0.71073","MoKα","","0.0301","0.0278","","","0.0724","0.0743","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024382","8.5418","0.0014","6.32","0.0012","11.847","0.002","90","","107.98","0.02","90","","608.34","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","","Weixin Tang; Yu Xiang; Aijun Tong","Salicylaldehyde Azines as Fluorophores of Aggregation-Induced Emission Enhancement Characteristics","Journal of Organic Chemistry","2009","74","","2163","2166","10.1021/jo802631m","","","0.71073","MoKα","","0.0719","0.0453","","","0.0828","0.0941","","","","","","1.026","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024383","17.6506","0.0003","5.65986","0.00009","19.6269","0.0003","90","","112.271","0.002","90","","1814.46","0.06","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 Br3 Cl O3 -","- C15 H18 Br3 Cl O3 -","- C60 H72 Br12 Cl4 O12 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0436","0.0306","","","0.0577","0.0604","","","","","","0.901","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024384","10.08901","0.00012","14.1397","0.0002","26.0378","0.0004","90","","95.048","0.0013","90","","3700.03","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Br Cl O2 -","- C11 H16 Br Cl O2 -","- C132 H192 Br12 Cl12 O24 -","12","3","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","0.71073","MoKα","","0.1116","0.0583","","","0.0813","0.0989","","","","","","1.134","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024385","9.29884","0.00006","10.68804","0.00007","13.90395","0.00009","90","","90","","90","","1381.86","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br O4 -","- C13 H19 Br O4 -","- C52 H76 Br4 O16 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0201","0.0196","","","0.0521","0.0523","","","","","","1.047","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024386","9.43332","0.00017","10.8457","0.00015","14.12","0.0003","90","","90","","90","","1444.63","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br3 Cl O2 -","- C11 H16 Br3 Cl O2 -","- C44 H64 Br12 Cl4 O8 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0519","0.0407","","","0.1035","0.1087","","","","","","1.078","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024387","5.5066","0.0002","8.4345","0.0004","9.5074","0.0004","64.62","0.004","89.601","0.004","89.365","0.004","398.93","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H20 Br2 O5 -","- C13 H20 Br2 O5 -","- C13 H20 Br2 O5 -","1","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.032","0.0319","","","0.0828","0.0829","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024388","15.615","0.0003","11.0079","0.0002","9.15002","0.00019","90","","99.8615","0.0018","90","","1549.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br2 Cl O4 -","- C13 H19 Br2 Cl O4 -","- C52 H76 Br8 Cl4 O16 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","0.71073","MoKα","","0.0433","0.0263","","","0.0631","0.0714","","","","","","1.071","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024389","10.433","0.003","11.751","0.003","12.122","0.003","90","","91.12","0.02","90","","1486","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br3 N O4 -","- C11 H12 Br3 N O4 -","- C44 H48 Br12 N4 O16 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0916","0.0354","","","0.0718","0.0791","","","","","","0.783","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024390","7.8886","0.0011","10.8447","0.0013","12.5544","0.0013","90","","93.54","0.009","90","","1072","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br3 N O3 -","- C6 H8 Br3 N O3 -","- C24 H32 Br12 N4 O12 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0411","0.0301","","","0.0751","0.0774","","","","","","0.992","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024391","7.735","0.003","13.855","0.005","10.472","0.003","90","","90.82","0.03","90","","1122.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Br3 N O2 -","- C7 H10 Br3 N O2 -","- C28 H40 Br12 N4 O8 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0799","0.0463","","","0.1023","0.1117","","","","","","1.033","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024392","7.3612","0.0005","11.0472","0.0012","15.508","0.0018","90","","102.165","0.008","90","","1232.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Br2 N O3 -","- C10 H9 Br2 N O3 -","- C40 H36 Br8 N4 O12 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0763","0.0447","","","0.1158","0.129","","","","","","1.081","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024393","9.6721","0.0007","6.0987","0.0004","10.3902","0.0008","90","","105.755","0.001","90","","589.86","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H23 N O -","- C13 H23 N O -","- C26 H46 N2 O2 -","2","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0432","0.0398","","","0.1051","0.1079","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024394","6.1721","0.0006","10.284","0.0011","19.865","0.002","90","","90","","90","","1260.9","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O -","- C14 H25 N O -","- C56 H100 N4 O4 -","4","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0388","0.0328","","","0.0824","0.0865","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024395","6.0276","0.001","19.16","0.003","6.0924","0.001","90","","106.163","0.002","90","","675.78","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cl N O2 -","- C13 H24 Cl N O2 -","- C26 H48 Cl2 N2 O4 -","2","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0434","0.0356","","","0.0739","0.0769","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024396","15.0086","0.0018","5.5608","0.0007","18.443","0.002","90","","105.738","0.003","90","","1481.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","U. C. Reddy; S. Bondalapati; Anil K. Saikia","Stereoselective One-Pot, Three-Component Synthesis of 4-Aryltetrahydropyran via Prins-Friedel-Crafts Reaction","Journal of Organic Chemistry","2009","74","","2605","2608","10.1021/jo802531h","","","0.71073","MoKα","","0.0984","0.0434","","","0.0996","0.1218","","","","","","0.968","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024397","16.873","0.0006","10.3219","0.0003","9.8594","0.0003","90","","98.28","0.001","90","","1699.23","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Ylva E. Bergman; Roger Mulder; Patrick Perlmutter","Total Synthesis of 20-Norsalvinorin A. 1. Preparation of a Key Intermediate","Journal of Organic Chemistry","2009","74","","2589","2591","10.1021/jo802623n","","","0.71073","MoKα","","0.0678","0.0609","","","0.1236","0.1268","","","","","","1.207","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024398","16.6579","0.0007","6.185","0.0003","15.0265","0.0006","90","","98.553","0.002","90","","1530.95","0.12","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Irina Denissova; Luca Maretti; Brian C. Wilkes; J.C. Scaiano; Yvan Guindon","Raising the Ceiling of Diastereoselectivity in Hydrogen Transfer on Acyclic Radicals","Journal of Organic Chemistry","2009","74","","2438","2446","10.1021/jo802634w","","","1.54178","CuKα","","0.0319","0.0276","","","0.0717","0.0737","","","","","","1.042","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024399","9.3732","0.0005","13.9484","0.0006","14.0455","0.0006","90","","90","","90","","1836.32","0.15","120","","120","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Solid-State NMR and X-ray Analysis of Structural Transformations in O-H...N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition","Journal of Organic Chemistry","2009","74","","2261","2270","10.1021/jo802673f","","","0.71073","MoKα","","0.1407","0.05","","0.0373","0.0339","0.0339","","","","","","1.257","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024400","10.1485","0.0004","7.1265","0.0003","20.0717","0.0006","90","","94.684","0.002","90","","1446.8","0.09","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Solid-State NMR and X-ray Analysis of Structural Transformations in O-H...N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition","Journal of Organic Chemistry","2009","74","","2261","2270","10.1021/jo802673f","","","0.71073","MoKα","","0.0617","0.0421","","0.0671","0.0548","0.0548","","","","","","1.0218","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024401","10.1927","0.0005","7.161","0.0009","20.2559","0.0008","90","","94.1624","0.0014","90","","1474.6","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Solid-State NMR and X-ray Analysis of Structural Transformations in O-H...N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition","Journal of Organic Chemistry","2009","74","","2261","2270","10.1021/jo802673f","","","0.71073","MoKα","","0.1177","0.0378","","0.0763","0.043","0.043","","","","","","1.1332","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024402","20.827","0.004","14.58","0.003","26.455","0.005","90","","111.3","0.03","90","","7484","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H35 N3 O2 S -","- C40 H35 N3 O2 S -","- C320 H280 N24 O16 S8 -","8","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.0865","0.0517","","","0.141","0.1506","","","","","","0.882","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024403","12.553","0.007","15.7","0.008","15.905","0.009","79.87","0.02","82.14","0.02","83.29","0.02","3043","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 N3 O2 S -","- C36 H35 N3 O2 S -","- C144 H140 N12 O8 S4 -","4","2","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.1958","0.1151","","","0.3229","0.3921","","","","","","1.023","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024404","14.6346","0.0014","16.416","0.0017","11.7446","0.0013","90","","90","","90","","2821.5","0.5","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H35 N3 O2 S -","- C32 H35 N3 O2 S -","- C128 H140 N12 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0591","0.0489","","","0.1112","0.1163","","","","","","1.009","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024405","19.773","0.002","9.6285","0.0008","20.595","0.002","90","","118.257","0.003","90","","3453.7","0.6","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H41 N3 O3 S -","- C39 H41 N3 O3 S -","- C156 H164 N12 O12 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0816","0.0686","","","0.168","0.1783","","","","","","1.087","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024406","10.7265","0.0003","27.9714","0.0008","12.3434","0.0004","90","","109.745","0.002","90","","3485.71","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N4 O3 S -","- C38 H38 N4 O3 S -","- C152 H152 N16 O12 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.0702","0.0466","","","0.1065","0.1188","","","","","","1.021","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024407","31.981","0.006","10.008","0.002","23.073","0.005","90","","123.03","0.03","90","","6191","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 N4 O2 S -","- C35 H32 N4 O2 S -","- C280 H256 N32 O16 S8 -","8","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.0935","0.0613","","","0.1234","0.1365","","","","","","1.057","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024408","10.451","0.006","22.396","0.014","13.213","0.008","90","","95.01","0.013","90","","3081","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N4 O2 S -","- C35 H32 N4 O2 S -","- C140 H128 N16 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.1418","0.0473","","","0.0899","0.1172","","","","","","1.011","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024409","13.3539","0.0019","13.481","0.002","16.861","0.002","90","","90","","90","","3035.4","0.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 N4 O2 S -","- C35 H32 N4 O2 S -","- C140 H128 N16 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0401","0.0366","","","0.0801","0.0819","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024410","5.9053","0.0001","13.5525","0.0002","16.3577","0.0003","90","","90","","90","","1309.1","0.1","20","0.05","20","0.05","","","","","","","","3","P b c a","-P 2ac 2ab","61","Meldrum's Acid","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Deepak Chopra; Vladimir V. Zhurov; Elizabeth A. Zhurova; A. Alan Pinkerton","Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid: A Combined Experimental and Theoretical Electron Density Study","Journal of Organic Chemistry","2009","74","","2389","2395","10.1021/jo8027054","","","0.71073","MoKα","","0.013","0.013","","","","0.023","0.015","","","","","1.0473","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024411","12.9824","0.0003","10.2376","0.0002","10.7952","0.0002","90","","91.485","0.001","90","","1434.29","0.05","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N -","- C16 H20 Br N -","- C64 H80 Br4 N4 -","4","1","","Dusan Hesek; Mijoon Lee; Bruce C. Noll; Jed F. Fisher; Shahriar Mobashery","Complications from Dual Roles of Sodium Hydride as a Base and as a Reducing Agent","Journal of Organic Chemistry","2009","74","","2567","2570","10.1021/jo802706d","","x-ray","1.54178","CuKα","","0.0215","0.0209","","","0.0534","0.0538","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024412","9.0162","0.0004","9.5201","0.0004","9.5212","0.0004","111.414","0.002","99.719","0.002","91.631","0.002","746.29","0.06","100","2","100","2","","","","","","","synthesized","3","P -1","-P 1","2","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","1","","Dusan Hesek; Mijoon Lee; Bruce C. Noll; Jed F. Fisher; Shahriar Mobashery","Complications from Dual Roles of Sodium Hydride as a Base and as a Reducing Agent","Journal of Organic Chemistry","2009","74","","2567","2570","10.1021/jo802706d","","x-ray","1.54178","CuKα","","0.0405","0.0386","","","0.0989","0.1006","","","","","","1.035","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024413","12.8213","0.0007","15.9442","0.0007","6.1647","0.0004","90","","90","","90","","1260.22","0.12","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H6 N6 O -","- C4 H6 N6 O -","- C32 H48 N48 O8 -","8","1","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0543","0.0393","","","0.1023","0.1145","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024414","9.8701","0.0005","8.4761","0.0004","16.1109","0.0008","90","","90","","90","","1347.84","0.11","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis(1,1'-methyl-1,1'-(2-hydroxyethyl)tetrazolyl))tetrazene","","","- C8 H16 N12 O2 -","- C8 H16 N12 O2 -","- C32 H64 N48 O8 -","4","0.5","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0381","0.0271","","","0.0702","0.0782","","","","","","1.058","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024415","6.2353","0.0003","9.172","0.0004","9.746","0.0006","114.736","0.005","94.422","0.004","92.195","0.004","503.19","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Bis(1,1'-methyl-1,1'-(iso-propyl-2-(1H-tetrazolyl) acetate))tetrazene","","","- C14 H24 N12 O4 -","- C14 H24 N12 O4 -","- C14 H24 N12 O4 -","1","0.5","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0407","0.0302","","","0.0796","0.0858","","","","","","1.112","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024416","11.0279","0.0004","15.4282","0.0004","8.9824","0.0003","90","","113.594","0.004","90","","1400.51","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(1,1'-methyl-1,1'-( 2-(1H-tetrazolyl)acetic acid))tetrazene","","","- C8 H12 N12 O4 -","- C8 H12 N12 O4 -","- C32 H48 N48 O16 -","4","1","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0429","0.0291","","","0.074","0.0799","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024417","16.4843","0.0015","9.9238","0.0009","16.6985","0.0016","90","","106.622","0.002","90","","2617.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 O5 -","- C33 H24 O5 -","- C132 H96 O20 -","4","1","","Zhi-Bin Zhu; Min Shi","Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and Limitations","Journal of Organic Chemistry","2009","74","","2481","2485","10.1021/jo802786r","","","0.71073","MoKα","","0.1171","0.09","","","0.2676","0.29","","","","","","1.047","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024418","8.206","0.0017","10.129","0.002","12.189","0.003","66.066","0.003","79.794","0.004","79.539","0.004","904.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H22 -","- C25 H22 -","- C50 H44 -","2","1","","Zhi-Bin Zhu; Min Shi","Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and Limitations","Journal of Organic Chemistry","2009","74","","2481","2485","10.1021/jo802786r","","","0.71073","MoKα","","0.0993","0.0705","","","0.202","0.2176","","","","","","1.074","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024419","6.3126","0.0008","41.037","0.005","8.6916","0.0011","90","","94.553","0.003","90","","2244.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Zhi-Bin Zhu; Min Shi","Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and Limitations","Journal of Organic Chemistry","2009","74","","2481","2485","10.1021/jo802786r","","","0.71073","MoKα","","0.1006","0.0794","","","0.2012","0.2156","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024420","5.4356","0.0016","13.512","0.004","18.503","0.006","90","","90","","90","","1359","0.7","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","José C. González-Gómez; Francisco Foubelo; Miguel Yus","Modular Stereocontrolled Assembly of R2Zn, Cyclic Enones and N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2009","74","","2547","2553","10.1021/jo802812w","","","0.71073","MoKα","","0.0956","0.0666","","","0.1406","0.1543","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024421","5.8939","0.001","10.3365","0.0018","26.251","0.005","90","","90.417","0.004","90","","1599.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N3 O2 -","- C17 H14 Br N3 O2 -","- C68 H56 Br4 N12 O8 -","4","1","","Min Jiang; Min Shi","Reactions of Monoaryl-Substituted Methylenecyclobutanes and Methylenecyclopropanes with 1-Hydroxybenzotriazole (HOBt), 1-Hydroxy-7-azabenzotriazole (HOAt), and 1-Hydroxysuccinimide (HOSu)","Journal of Organic Chemistry","2009","74","","2516","2520","10.1021/jo9000299","","","0.71073","MoKα","","0.12","0.0527","","","0.1172","0.1552","","","","","","0.823","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024422","6.9387","0.0002","13.8095","0.0005","18.6075","0.0006","90","","90","","90","","1782.97","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C80 H92 Br4 O8 -","4","1","","Nai-Wen Tseng; Mark Lautens","Rhodium-Catalyzed Vinylcyclopropanation/Cyclopentenation of Strained Alkenes via a Sequential Carborhodation Process","Journal of Organic Chemistry","2009","74","","2521","2526","10.1021/jo900039g","","","0.71073","MoKα","","0.0714","0.0366","","","0.0747","0.0861","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024423","23.04","0.008","11.81","0.004","9.619","0.003","90","","92.597","0.007","90","","2614.7","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 O3 -","- C31 H32 N4 O3 -","- C124 H128 N16 O12 -","4","1","","Mikhail Krasavin; Sergey Shkavrov; Vladislav Parchinsky; Konstantin Bukhryakov","Imidazo[1,2-a]quinoxalines Accessed via Two Sequential Isocyanide-Based Multicomponent Reactions","Journal of Organic Chemistry","2009","74","","2627","2629","10.1021/jo900050k","","","0.71073","MoKα","","0.0909","0.0476","","","0.0694","0.0747","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024424","12.9231","0.0011","6.6306","0.0006","35.487","0.003","90","","96.199","0.002","90","","3023","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Dicyclohexylamino)propane-1,3-diol","","- C15 H29 N O2 -","- C15 H29 N O2 -","- C120 H232 N8 O16 -","8","2","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.12","0.0608","","","0.1276","0.1494","","","","","","0.921","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024425","7.4601","0.0007","7.5153","0.0007","11.1194","0.001","86.462","0.002","72.485","0.002","64.207","0.001","533.53","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(Diisopropylamino)propane-1,3-diol","","- C9 H21 N O2 -","- C9 H21 N O2 -","- C18 H42 N2 O4 -","2","1","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0529","0.0481","","","0.1241","0.1284","","","","","","1.034","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024426","7.2537","0.0015","12.906","0.003","14.907","0.003","65.765","0.004","85.429","0.004","83.2","0.004","1262.9","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","2-(2,2,6,6-Tetramethyl-1-piperidinyl)propane-1,3-diol","","- C12 H25 N O2 -","- C12 H25 N O2 -","- C48 H100 N4 O8 -","4","2","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0665","0.0515","","","0.1388","0.1477","","","","","","1.057","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024427","10.9485","0.0006","11.1399","0.0006","14.3517","0.0008","90","","103.7","0.001","90","","1700.61","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Bis(diisopropylamino)-1-propanol","","- C15 H34 N2 O -","- C15 H34 N2 O -","- C60 H136 N8 O4 -","4","1","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0945","0.0729","","","0.1996","0.2191","","","","","","1.055","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024428","6.4556","0.0007","13.4106","0.0015","17.6286","0.0019","90","","95.762","0.002","90","","1518.5","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Dicyclohexylamino)-2-methylpropane-1,3-diol","","- C16 H31 N O2 -","- C16 H31 N O2 -","- C64 H124 N4 O8 -","4","1","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0511","0.0458","","","0.126","0.1298","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024429","7.258","0.008","8.97","0.01","8.41","0.01","90","","110.889","0.016","90","","511.5","1","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C20 H28 O10 -","2","1","","C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade","Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F","Journal of Organic Chemistry","2009","74","","2842","2845","10.1021/jo802539z","","","0.71073","MoKα","","0.0592","0.0558","","","0.146","0.149","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024430","10.036","0.005","9.173","0.004","10.955","0.005","90","","90.174","0.008","90","","1008.6","0.8","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","2","","C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade","Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F","Journal of Organic Chemistry","2009","74","","2842","2845","10.1021/jo802539z","","","0.71073","MoKα","","0.0442","0.036","","","0.0896","0.0939","","","","","","1.024","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024431","10.5012","0.001","17.8328","0.0017","17.776","0.0017","90","","94.963","0.002","90","","3316.4","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H96 Zr2 -","- C88 H96 Zr2 -","- C176 H192 Zr4 -","2","0.5","","Adam D. Miller; Jennifer L. McBee; T. Don Tilley","Zirconocene-Mediated Macrocyclizations of Diynes Containing Di-o-Methylphenylene Spacers","Journal of Organic Chemistry","2009","74","","2880","2883","10.1021/jo802715m","","","0.775","synchrotron","","0.0842","0.06","","","0.1641","0.1848","","","","","","1.09","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024432","6.7518","0.0003","17.3942","0.0007","31.4299","0.0013","90","","90","","90","","3691.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O6 S -","- C17 H14 Br N O6 S -","- C136 H112 Br8 N8 O48 S8 -","8","2","","Chao Zhou; Zhao Fang; Chunling Fu; Shengming Ma","Highly Regio- and Stereoselective Oxidative Hydroacetoxylation of 1,2-Allenylic Sulfoxides via a Different Mechanism","Journal of Organic Chemistry","2009","74","","2887","2890","10.1021/jo802755k","","","0.71073","MoKα","","0.0569","0.0379","","","0.0886","0.0988","","","","","","1.049","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024433","20.235","0.002","7.9255","0.0008","16.7147","0.0018","90","","109.567","0.002","90","","2525.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C96 H112 O32 S8 -","8","1","","Chao Zhou; Zhao Fang; Chunling Fu; Shengming Ma","Highly Regio- and Stereoselective Oxidative Hydroacetoxylation of 1,2-Allenylic Sulfoxides via a Different Mechanism","Journal of Organic Chemistry","2009","74","","2887","2890","10.1021/jo802755k","","","0.71073","MoKα","","0.0811","0.0462","","","0.0768","0.0847","","","","","","0.824","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024434","8.3591","0.0013","23.949","0.004","8.0712","0.0013","90","","111.071","0.003","90","","1507.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Chao Zhou; Zhao Fang; Chunling Fu; Shengming Ma","Highly Regio- and Stereoselective Oxidative Hydroacetoxylation of 1,2-Allenylic Sulfoxides via a Different Mechanism","Journal of Organic Chemistry","2009","74","","2887","2890","10.1021/jo802755k","","","0.71073","MoKα","","0.1147","0.0664","","","0.1588","0.1824","","","","","","0.889","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024435","10.391","0.0019","19.155","0.004","19.178","0.004","107.102","0.002","93.505","0.003","91.272","0.002","3638.3","1.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 N2 O2 -","- C48 H40 N2 O2 -","- C192 H160 N8 O8 -","4","2","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.1044","0.0529","","","0.1303","0.1557","","","","","","0.807","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024436","30.709","0.005","8.4717","0.0014","18.198","0.003","90","","111.575","0.002","90","","4402.6","1.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 Cl6 N2 O2 -","- C50 H42 Cl6 N2 O2 -","- C200 H168 Cl24 N8 O8 -","4","0.5","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.1219","0.0638","","","0.1687","0.2015","","","","","","1.129","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024437","7.765","0.002","24.472","0.007","13.084","0.004","90","","101.834","0.005","90","","2433.5","1.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C120 H104 N8 O8 -","2","0.5","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.2078","0.0874","","","0.2175","0.2942","","","","","","0.946","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024438","16.925","0.003","15.637","0.003","22.381","0.004","90","","103.617","0.004","90","","5756.8","1.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 N4 O9 -","- C64 H64 N4 O9 -","- C256 H256 N16 O36 -","4","1","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.136","0.0797","","","0.2193","0.26","","","","","","0.986","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024439","8.9054","0.0005","12.2932","0.0008","16.4551","0.0009","90","","90","","90","","1801.44","0.18","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Hephzibah J. Kumpaty; Michael L. Van Linn; M. Shahjahan Kabir; F. Holger Försterling; Jeffrey R. Deschamps; James M. Cook","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","Journal of Organic Chemistry","2009","74","","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0315","0.0302","","","0.0812","0.0825","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024440","9.3419","0.0006","13.3456","0.0007","19.2967","0.001","90","","90","","90","","2405.8","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Cl N3 O4 -","- C27 H26 Cl N3 O4 -","- C108 H104 Cl4 N12 O16 -","4","1","","Hephzibah J. Kumpaty; Michael L. Van Linn; M. Shahjahan Kabir; F. Holger Försterling; Jeffrey R. Deschamps; James M. Cook","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","Journal of Organic Chemistry","2009","74","","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0435","0.0349","","","0.0836","0.088","","","","","","1","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024441","11.8759","0.0014","9.4026","0.0011","23.997","0.003","90","","90","","90","","2679.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methyl-4-p-tolyl-2H-1,4-benzoxazin-3(4H)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","Enguang Feng; He Huang; Yu Zhou; Deju Ye; Hualiang Jiang; Hong Liu","Copper(I)-Catalyzed One-Pot Synthesis of 2H-1,4-Benzoxazin-3-(4H)-ones fromo-Halophenols and 2-Chloroacetamides","Journal of Organic Chemistry","2009","74","","2846","2849","10.1021/jo802818s","","","0.71073","MoKα","","0.0854","0.0532","","","0.1305","0.1441","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024442","4.7002","0.0008","8.2106","0.0013","45.378","0.008","90","","90","","90","","1751.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br F O2 -","- C20 H16 Br F O2 -","- C80 H64 Br4 F4 O8 -","4","1","","Laijun Zhang; Wei Zhang; Jun Liu; Jinbo Hu","C-F Bond Cleavage by Intramolecular SN2 Reaction of Alkyl Fluorides with O- and N-Nucleophiles","Journal of Organic Chemistry","2009","74","","2850","2853","10.1021/jo802819p","","","0.71073","MoKα","","0.1561","0.0468","","","0.0667","0.0985","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024443","12.651","0.003","5.5009","0.0011","19.408","0.004","90","","92.321","0.016","90","","1349.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H17 N O5 S -","- C12 H17 N O5 S -","- C48 H68 N4 O20 S4 -","4","1","","Appu Aravind; Muthukumar Gomathi Sankar; Babu Varghese; Sundarababu Baskaran","Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol","Journal of Organic Chemistry","2009","74","","2858","2861","10.1021/jo900030p","","","0.71073","MoKα","","0.0701","0.0572","","","0.1517","0.1704","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024444","9.9862","0.0005","10.0925","0.0005","17.6731","0.001","103.933","0.002","91.236","0.002","92.306","0.002","1726.49","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","2","","Gwendolyn A. Marriner; Sean M. Kerwin","An Improved Synthesis of (\±)-N'-Nitrosonornicotine 5'-Acetate","Journal of Organic Chemistry","2009","74","","2891","2892","10.1021/jo9000417","","","0.71069","MoKα","","0.101","0.0487","","","0.104","0.1257","","","","","","1.007","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024445","11.8033","0.0019","11.8091","0.0015","12.196","0.003","95.133","0.01","99.094","0.016","92.299","0.007","1669.3","0.5","293.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 N2 -","- C18 H26 N2 -","- C72 H104 N8 -","4","2","","Adeeb Al-Sheikh Ali; Judy Cipot-Wechsler; T. Stanley Cameron; Alison Thompson","Formation of Vinylic Dipyrroles by the Deprotonation of meso-Alkyl and meso-Benzyl Dipyrrin HCl Salts","Journal of Organic Chemistry","2009","74","","2866","2869","10.1021/jo900064y","","","0.7107","MoKα","","","0.0597","","","","0.0609","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024446","7.7822","0.0016","24.463","0.005","24.531","0.005","62.524","0.003","81.547","0.003","86.098","0.003","4098.4","1.5","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C70.85 H66.7 Br6 Cl3.7 N9 O21 S6 -","- C70.851 H66.702 Br6 Cl3.702 N9 O21 S6 -","- C141.702 H133.404 Br12 Cl7.404 N18 O42 S12 -","2","1","","Nicolas Proust; Judith C. Gallucci; Leo A. Paquette","Effect of Sulfonyl Protecting Groups on the Neighboring Group Participation Ability of Sulfonamido Nitrogen","Journal of Organic Chemistry","2009","74","","2897","2900","10.1021/jo900065q","","x-ray","0.7749","synchrotron","","0.1244","0.0683","","","0.1594","0.1832","","","","","","1.029","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024447","10.75","0.002","13.323","0.003","13.796","0.003","90","","101.06","0.03","90","","1939.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl N O -","- C24 H18 Cl N O -","- C96 H72 Cl4 N4 O4 -","4","1","","Jie-Ping Wan; Shi-Feng Gan; Gong-Lei Sun; Yuan-Jiang Pan","Novel Regioselectivity: Three-Component Cascade Synthesis of Unsymmetrical 1,4- and 1,2-Dihydropyridines","Journal of Organic Chemistry","2009","74","","2862","2865","10.1021/jo900068z","","","0.71073","MoKα","","0.088","0.0571","","","0.1542","0.2177","","","","","","1.174","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024448","10.419","0.004","11.019","0.005","11.262","0.005","90","","90","","90","","1293","1","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4,5,5-Tetramethyl-2-(1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0307","0.029","","","0.076","0.0772","","","","","","1.119","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024449","6.3148","0.0012","19.953","0.004","10.259","0.002","90","","93.738","0.003","90","","1289.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4,5,5-Tetramethyl-2-(1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0848","0.0682","","","0.1813","0.1891","","","","","","1.104","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024450","7.874","0.005","18.647","0.013","10.976","0.008","90","","91.425","0.012","90","","1611.1","1.9","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1- oxidopyridin-2-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C17 H19 N4 O3 -","- C17 H19 N4 O3 -","- C68 H76 N16 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1046","0.0595","","","0.1269","0.1443","","","","","","1.021","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024451","10.644","0.002","14.876","0.003","15.388","0.003","90","","90","","90","","2436.7","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C11 H15 N4 O3 -","- C11 H15 N4 O3 -","- C88 H120 N32 O24 -","8","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1024","0.0668","","","0.1989","0.2185","","","","","","1.024","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024452","10.323","0.004","11.378","0.005","17.494","0.007","90","","90","","90","","2054.9","1.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4,5,5-Tetramethyl-2-(4-oxido-3,6-diphenyl -1,2,4-triazin-5-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C22 H22 N5 O3 -","- C22 H22 N5 O3 -","- C88 H88 N20 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1693","0.0655","","","0.1192","0.1432","","","","","","0.85","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024453","12.243","0.005","11.512","0.004","11.624","0.004","90","","110.187","0.007","90","","1537.7","1","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-(2-oxidoisoquinolin -1-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C16 H18 N3 O3 -","- C16 H18 N3 O3 -","- C64 H72 N12 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1278","0.086","","","0.1869","0.2089","","","","","","1.066","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024454","22.275","0.004","11.815","0.002","22.584","0.004","90","","90.47","0.003","90","","5943.6","1.8","218","2","218","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4,5,5-Tetramethyl-2-(2-oxidophthalazin-1-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C15 H17 N4 O3 -","- C15 H17 N4 O3 -","- C240 H272 N64 O48 -","16","2","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0913","0.0614","","","0.1351","0.1512","","","","","","0.988","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024455","10.803","0.004","11.128","0.005","14.44","0.006","68.789","0.007","68.106","0.006","67.542","0.006","1439","1.1","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","4,4,5,5-Tetramethyl-2-(1-oxidoquinoxalin-2-yl) -4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C15 H17 N4 O3 -","- C15 H17 N4 O3 -","- C60 H68 N16 O12 -","4","2","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1123","0.0787","","","0.202","0.2221","","","","","","1.026","","","","has coordinates","211413","2020-10-21","18:00:00",""
"4024456","7.3405","0.0009","17.496","0.002","17.596","0.002","90","","95.388","0.002","90","","2249.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(4,4,5,5-tetramethyl-3-oxid-1-oxyl-4,5 -dihydro-1H-imidazol-2-yl)quinoxaline 1,4-dioxide","","- C22 H28 N6 O6 -","- C22 H28 N6 O6 -","- C88 H112 N24 O24 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0876","0.0549","","","0.1167","0.1284","","","","","","0.999","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024457","6.5451","0.0001","16.7464","0.0001","16.8568","0.0001","90","","90","","90","","1847.62","0.03","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Syed Masood Husain; Roland Fröhlich; Dirk Schepmann; Bernhard Wünsch","Asymmetric Synthesis of Enantiomerically Pure 2-Substituted Tetrahydro-3-benzazepines and Their Affinity to σ1 Receptors","Journal of Organic Chemistry","2009","74","","2788","2793","10.1021/jo900087e","","","1.54178","CuKα","","0.034","0.0331","","","0.0832","0.0838","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024458","10.7594","0.0003","24.0248","0.0007","11.8032","0.0004","90","","110.127","0.001","90","","2864.72","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C144 H126 N6 O12 -","6","3","","Syed Masood Husain; Roland Fröhlich; Dirk Schepmann; Bernhard Wünsch","Asymmetric Synthesis of Enantiomerically Pure 2-Substituted Tetrahydro-3-benzazepines and Their Affinity to σ1 Receptors","Journal of Organic Chemistry","2009","74","","2788","2793","10.1021/jo900087e","","","1.54178","CuKα","","0.0375","0.0344","","","0.0771","0.0792","","","","","","1.067","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024459","7.3675","0.0001","32.5836","0.0006","7.5882","0.0001","90","","101.619","0.001","90","","1784.29","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C84 H88 O12 S4 -","4","2","","Estíbaliz Merino; Rosanne P. A. Melo; Montserrat Ortega-Guerra; María Ribagorda; M. Carmen Carreño","Stereocontrolled Approach to Phenyl Cyclitols from (SR)-[(p-Tolylsulfinyl)methyl]-p-quinol","Journal of Organic Chemistry","2009","74","","2824","2831","10.1021/jo900109p","","","1.54178","CuKα","","0.0804","0.0743","","","0.187","0.1941","","","","","","1.025","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024460","9.7463","0.0002","9.6804","0.0002","19.1212","0.0004","90","","92.56","0.001","90","","1802.25","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C80 H88 O16 S4 -","4","2","","Estíbaliz Merino; Rosanne P. A. Melo; Montserrat Ortega-Guerra; María Ribagorda; M. Carmen Carreño","Stereocontrolled Approach to Phenyl Cyclitols from (SR)-[(p-Tolylsulfinyl)methyl]-p-quinol","Journal of Organic Chemistry","2009","74","","2824","2831","10.1021/jo900109p","","","1.54178","CuKα","","0.0544","0.0484","","","0.1164","0.123","","","","","","1.04","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024461","6.2233","0.0002","7.3164","0.0002","13.5519","0.0004","77.0301","0.0011","76.9064","0.001","81.554","0.0013","582.67","0.03","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Compound ec616","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C22 H30 N2 O10 -","2","1","","Elise Claveau; Isabelle Gillaizeau; Justyna Kalinowska-Tluscik; Pascal Bouyssou; Gérard Coudert","Nucleophilic Addition onto Methyl-4H-1,4-oxazine-3-carboxylate Moiety: Short Access to 1,4-Diazine Privileged Substructures","Journal of Organic Chemistry","2009","74","","2911","2914","10.1021/jo900291f","","","0.7107","MoKα","","0.0635","0.043","","","0.0964","0.1073","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024462","14.2955","0.0004","8.3964","0.0002","16.824","0.0005","90","","105.47","0.0012","90","","1946.24","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound ec546","","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C72 H104 N8 O24 -","4","1","","Elise Claveau; Isabelle Gillaizeau; Justyna Kalinowska-Tluscik; Pascal Bouyssou; Gérard Coudert","Nucleophilic Addition onto Methyl-4H-1,4-oxazine-3-carboxylate Moiety: Short Access to 1,4-Diazine Privileged Substructures","Journal of Organic Chemistry","2009","74","","2911","2914","10.1021/jo900291f","","","0.7107","MoKα","","0.11","0.0637","","","0.139","0.1605","","","","","","1.065","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024463","10.16","0.006","23.332","0.014","10.763","0.006","90","","110.534","0.009","90","","2390","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O4 -","- C31 H28 O4 -","- C124 H112 O16 -","4","1","","Zhi-Hui Ren; Zheng-Hui Guan; Yong-Min Liang","Highly Regioselective Synthesis of Benz[a]anthracene Derivatives via a Pd-Catalyzed Tandem C-H Activation/Biscyclization Reaction","Journal of Organic Chemistry","2009","74","","3145","3147","10.1021/jo802712n","","","0.71073","MoKα","","0.0704","0.0475","","","0.1392","0.1582","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024464","6.3537","0.0014","14.909","0.003","20.965","0.005","90","","95.358","0.004","90","","1977.2","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 Si -","- C21 H23 N O3 Si -","- C84 H92 N4 O12 Si4 -","4","1","","Ying-ming Pan; Fei-jian Zheng; Hai-xin Lin; Zhuang-ping Zhan","Brønsted Acid-Catalyzed Propargylation/Cycloisomerization Tandem Reaction: One-Pot Synthesis of Substituted Oxazoles from Propargylic Alcohols and Amides","Journal of Organic Chemistry","2009","74","","3148","3151","10.1021/jo8027533","","","0.71073","MoKα","","0.0838","0.0709","","","0.1757","0.1739","","","","","","1.201","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024465","13.0005","0.0003","4.73152","0.00011","17.4577","0.0004","90","","90.5905","0.0015","90","","1073.8","0.04","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Yasufumi Kawamura; Yasuhiro Kawano; Tomohiro Matsuda; Yûta Ishitobi; Takahiro Hosokawa","Palladium(II)-Catalyzed Asymmetric Coupling of Allylic Alcohols and Vinyl Ethers: Insight into the Palladium and Copper Bimetallic Catalyst","Journal of Organic Chemistry","2009","74","","3048","3053","10.1021/jo802807w","","","1.54187","CuKα","","","0.0785","","","","0.2294","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024466","8.5863","0.0003","8.6729","0.0003","15.5859","0.0007","87.141","0.002","79.041","0.002","66.122","0.002","1041.48","0.07","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O -","- C29 H22 O -","- C58 H44 O2 -","2","1","","Jan Storch; Jan Sýkora; Jan Čermák; Jindřich Karban; Ivana Císařová; Aleš Růžička","Synthesis of Hexahelicene and 1-Methoxyhexahelicene via Cycloisomerization of Biphenylyl-Naphthalene Derivatives","Journal of Organic Chemistry","2009","74","","3090","3093","10.1021/jo900077j","","","0.71073","MoKα","","0.0499","0.0393","","0.0498","0.0424","0.0424","","","","","","1.1442","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024467","9.5675","0.0003","11.4646","0.0003","11.6322","0.0003","62.554","0.0001","81.627","0.0001","70.11","0.002","1064.66","0.05","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O -","- C29 H22 O -","- C58 H44 O2 -","2","1","","Jan Storch; Jan Sýkora; Jan Čermák; Jindřich Karban; Ivana Císařová; Aleš Růžička","Synthesis of Hexahelicene and 1-Methoxyhexahelicene via Cycloisomerization of Biphenylyl-Naphthalene Derivatives","Journal of Organic Chemistry","2009","74","","3090","3093","10.1021/jo900077j","","","0.71073","MoKα","","0.0557","0.0403","","0.055","0.045","0.045","","","","","","1.1353","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024468","15.123","0.0004","18.362","0.002","7.322","0.0014","90","","100.412","0.006","90","","1999.8","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O -","- C29 H22 O -","- C116 H88 O4 -","4","1","","Jan Storch; Jan Sýkora; Jan Čermák; Jindřich Karban; Ivana Císařová; Aleš Růžička","Synthesis of Hexahelicene and 1-Methoxyhexahelicene via Cycloisomerization of Biphenylyl-Naphthalene Derivatives","Journal of Organic Chemistry","2009","74","","3090","3093","10.1021/jo900077j","","","0.71073","MoKα","","0.1441","0.0707","","0.0894","0.0605","0.0605","","","","","","1.1709","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024469","6.4933","0.0013","13.379","0.003","15.515","0.003","104.22","0.03","100.83","0.03","96.08","0.03","1266.8","0.5","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","2","","Sylvaine Cren; Pascal Schär; Philippe Renaud; Kurt Schenk","Diastereoselectivity Control of the Radical Carboazidation of Substituted Methylenecyclohexanes","Journal of Organic Chemistry","2009","74","","2942","2946","10.1021/jo900088x","","","0.71073","MoKα","","0.0802","0.0542","","","0.1332","0.1519","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024470","6.7541","0.0012","9.6011","0.0017","11.854","0.002","99.079","0.015","103.83","0.014","94.188","0.014","732.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H27 N O -","- C15 H27 N O -","- C30 H54 N2 O2 -","2","1","","Sylvaine Cren; Pascal Schär; Philippe Renaud; Kurt Schenk","Diastereoselectivity Control of the Radical Carboazidation of Substituted Methylenecyclohexanes","Journal of Organic Chemistry","2009","74","","2942","2946","10.1021/jo900088x","","","0.71073","MoKα","","0.0734","0.0588","","","0.1516","0.1684","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024471","26.787","0.003","6.7761","0.0004","29.664","0.003","90","","108.47","0.008","90","","5107","0.9","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H41 N O4 Si -","- C22 H41 N O4 Si -","- C176 H328 N8 O32 Si8 -","8","1","","Sylvaine Cren; Pascal Schär; Philippe Renaud; Kurt Schenk","Diastereoselectivity Control of the Radical Carboazidation of Substituted Methylenecyclohexanes","Journal of Organic Chemistry","2009","74","","2942","2946","10.1021/jo900088x","","","0.71073","MoKα","","0.0839","0.0602","","","0.1598","0.1753","","","","","","1.065","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024472","8.1614","0.0005","12.3551","0.0007","17.731","0.0011","90","","90","","90","","1787.9","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0368","0.0312","","","0.0741","0.0773","","","","","","1.033","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024473","27.856","0.003","6.5846","0.0007","10.3007","0.0011","90","","104.099","0.002","90","","1832.4","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0535","0.0474","","","0.1181","0.1222","","","","","","1.052","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024474","14.1895","0.0004","14.1895","0.0004","9.755","0.0006","90","","90","","90","","1964.09","0.14","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C88 H72 Cl4 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0447","0.0361","","","0.0825","0.0868","","","","","","1.033","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024475","7.4625","0.0008","12.4146","0.0014","20.858","0.002","90","","90","","90","","1932.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0299","0.0278","","","0.0727","0.0743","","","","","","1.047","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024476","8.9218","0.0005","12.0276","0.0007","17.7965","0.001","90","","90","","90","","1909.7","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O3 S2 -","- C21 H19 N O3 S2 -","- C84 H76 N4 O12 S8 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.037","0.0322","","","0.0697","0.0713","","","","","","1.081","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024477","9.6685","0.0019","20.336","0.004","23.189","0.005","90","","90","","90","","4559.4","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gt444.2","","","- C21 H31 F3 N2 O3 -","- C21 H31 F3 N2 O3 -","- C168 H248 F24 N16 O24 -","8","2","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.0492","0.0345","","","0.0733","0.0789","","","","","","1.079","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024478","9.5958","0.0019","12.452","0.003","15.882","0.003","90.36","0.03","92.27","0.03","98.29","0.03","1876.2","0.7","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H25 F3 N2 O4 -","- C15 H25 F3 N2 O4 -","- C60 H100 F12 N8 O16 -","4","4","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.1541","0.0648","","","0.11","0.1325","","","","","","1.012","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024479","10.503","0.002","9.1652","0.0018","10.804","0.002","90","","92.64","0.03","90","","1038.9","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","gt363c","","","- C16 H28 F3 N3 O4 -","- C16 H28 F3 N3 O4 -","- C32 H56 F6 N6 O8 -","2","1","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.0686","0.0383","","","0.0702","0.0781","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024480","10.504","0.002","9.4224","0.0019","11.523","0.002","90","","110.52","0.03","90","","1068.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","gt319a","","","- C17 H24 F6 N2 O4 -","- C17 H24 F6 N2 O4 -","- C34 H48 F12 N4 O8 -","2","1","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.1432","0.0813","","","0.2143","0.2623","","","","","","1.029","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024481","10.1199","0.0011","12.8822","0.0014","13.9569","0.0015","102.044","0.002","108.516","0.002","99.249","0.002","1636","0.3","233","2","233","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H42 N4 -","- C40 H42 N4 -","- C80 H84 N8 -","2","1","","Ho-Jin Son; Won-Sik Han; Dae-Hwan Yoo; Kyoung-Tae Min; Soon-Nam Kwon; Jaejung Ko; Sang Ook Kang","Fluorescence Control on Panchromatic Spectra via C-Alkylation on Arylated Quinoxalines","Journal of Organic Chemistry","2009","74","","3175","3178","10.1021/jo9002147","","","0.71073","MoKα","","0.121","0.0558","","","0.1327","0.1673","","","","","","1.014","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024482","10.9199","0.0001","13.5197","0.0002","40.234","0.0005","90","","90","","90","","5939.9","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl N O5 S2 -","- C60 H62 Cl2 N2 O11 S4 -","- C240 H248 Cl8 N8 O44 S16 -","4","0.5","","Yuhui Ma; Mang Wang; Dan Li; Bahargul Bekturhun; Jun Liu; Qun Liu","α-Alkenoyl Ketene S,S-Acetal-Based Multicomponent Reaction: An Efficient Approach for the Selective Construction of Polyfunctionalized Cyclohexanones","Journal of Organic Chemistry","2009","74","","3116","3121","10.1021/jo900217g","","","0.71073","MoKα","","0.055","0.0488","","","0.1424","0.1475","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024483","7.104","0.0003","10.693","0.0005","11.443","0.0004","88.492","0.002","78.42","0.003","76.727","0.002","828.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O8 -","- C15 H23 N O8 -","- C30 H46 N2 O16 -","2","1","","Vincent Chagnault; Philippe Compain; Krzysztof Lewinski; Kyoko Ikeda; Naoki Asano; Olivier R. Martin","Stereodivergent Access to Polyhydroxylated 10-Azabicyclo[4.3.1]decanes as New Calystegine Analogues","Journal of Organic Chemistry","2009","74","","3179","3182","10.1021/jo900235d","","","0.71073","MoKα","","0.0719","0.0441","","","0.0921","0.1022","","","","","","1.029","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024484","22.748","0.0002","9.4207","0.0001","28.2634","0.0004","90","","96.7081","0.0005","90","","6015.44","0.12","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H80 I2 O4 P4 Pt2 -","- C55 H80 I2 O4 P4 Pt2 -","- C220 H320 I8 O16 P16 Pt8 -","4","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Matthew M. Lyndon; David C. Muddiman; Peter J. Stang","Synthesis of Six-Component Metallodendrimers via [3 + 3] Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2009","74","","3524","3527","10.1021/jo900067v","","","0.71073","MoKα","","0.0673","0.0398","","","0.0818","0.0908","","","","","","1.023","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024485","6.059","0.012","8.79","0.02","19.21","0.04","84.05","0.05","89.73","0.07","78.43","0.04","996","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","","Jialiang Wang; Wen Huang; Zhengxing Zhang; Xu Xiang; Ruiting Liu; Xigeng Zhou","FeCl3.6H2O Catalyzed Disproportionation of Allylic Alcohols and Selective Allylic Reduction of Allylic Alcohols and Their Derivatives with Benzyl Alcohol","Journal of Organic Chemistry","2009","74","","3299","3304","10.1021/jo900070q","","","0.71073","MoKα","","0.2239","0.0635","","","0.1017","0.1101","","","","","","1.037","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024486","15.221","0.0018","14.4204","0.0017","5.9497","0.0007","90","","101.27","","90","","1280.7","0.3","278","2","278","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 -","- C17 H18 -","- C68 H72 -","4","1","","Jialiang Wang; Wen Huang; Zhengxing Zhang; Xu Xiang; Ruiting Liu; Xigeng Zhou","FeCl3.6H2O Catalyzed Disproportionation of Allylic Alcohols and Selective Allylic Reduction of Allylic Alcohols and Their Derivatives with Benzyl Alcohol","Journal of Organic Chemistry","2009","74","","3299","3304","10.1021/jo900070q","","","0.71073","MoKα","","0.0688","0.0649","","","0.1701","0.1737","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024487","7.957","0.004","24.8","0.03","10.408","0.014","90","","106.44","0.08","90","","1970","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N5 O6 -","- C22 H15 N5 O6 -","- C88 H60 N20 O24 -","4","1","","Pedro Rodriguez-Dafonte; François Terrier; Sami Lakhdar; Sergei Kurbatov; Régis Goumont","Carbon Nucleophilicities of Indoles in SNAr Substitutions of Superelectrophilic 7-Chloro-4,6-dinitrobenzofuroxan and -benzofurazan","Journal of Organic Chemistry","2009","74","","3305","3315","10.1021/jo900076r","","","0.71073","MoKα","","0.1336","0.056","","","0.1163","0.1432","","","","","","0.996","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024488","18.9125","0.0003","14.3843","0.0002","20.3313","0.0004","90","","108.279","0.0006","90","","5251.89","0.15","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C77 H36 O10 S2 -","- C77 H36 O10 S2 -","- C308 H144 O40 S8 -","4","1","","Jiayao Yao; Dazhi Yang; Zuo Xiao; Liangbing Gan; Zheming Wang","Synthesis of Fullerene Oxides Containing Both 6,6-Closed Epoxide and 5,6-Open Ether Moieties through Thermolysis of Fullerene Peroxides","Journal of Organic Chemistry","2009","74","","3528","3531","10.1021/jo9000977","","","0.71073","MoKα","","0.1451","0.0586","","","0.1429","0.1715","","","","","","0.951","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024489","13.915","0.0002","25.7935","0.0004","22.4441","0.0004","90","","117.056","0.001","90","","7174","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H49 Cl9 D3 N O16 -","- C79 H39 Cl9 N O16 -","- C316 H156 Cl36 N4 O64 -","4","1","","Jiayao Yao; Dazhi Yang; Zuo Xiao; Liangbing Gan; Zheming Wang","Synthesis of Fullerene Oxides Containing Both 6,6-Closed Epoxide and 5,6-Open Ether Moieties through Thermolysis of Fullerene Peroxides","Journal of Organic Chemistry","2009","74","","3528","3531","10.1021/jo9000977","","","0.71073","MoKα","","0.1854","0.1066","","0.3733","0.3136","","","","1.062","1.265","1.265","","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4024490","25.9786","0.0018","16.6372","0.0012","20.7138","0.0014","90","","105.282","0.001","90","","8636.2","1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","octaisobutyloctamethyltetraphenyl[32]octaphyrin(1.0.1.0.1.0.1.0)","","- C100 H120 N8 -","- C100 H120 N8 -","- C400 H480 N32 -","4","1","","Megumi Mori; Toshifumi Okawa; Noriko Iizuna; Kana Nakayama; Juha M. Lintuluoto; Jun-ichiro Setsune","Dynamic Figure Eight Loop Structure ofmeso-Tetraaryl[32]octaphyrins(1.0.1.0.1.0.1.0)","Journal of Organic Chemistry","2009","74","","3579","3582","10.1021/jo9001189","","","0.71073","MoKα","","0.123","0.0582","","","0.1339","0.164","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024491","11.8175","0.001","8.5654","0.0007","28.864","0.003","90","","101.646","0.001","90","","2861.5","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 N O4 -","- C36 H33 N O4 -","- C144 H132 N4 O16 -","4","1","","Shinsuke Komagawa; Kouhei Takeuchi; Ikuo Sotome; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","Synthesis of Vinylcycloheptadienes by the Nickel-Catalyzed Three-Component [3 + 2 + 2] Cocyclization. Application to the Synthesis of Polycyclic Compounds","Journal of Organic Chemistry","2009","74","","3323","3329","10.1021/jo900189g","","","0.71073","MoKα","","0.0641","0.0469","","","0.1213","0.1324","","","","","","1.08","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024492","8.319","0.003","15.649","0.005","14.325","0.004","90","","93.669","0.003","90","","1861.1","1","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Shinsuke Komagawa; Kouhei Takeuchi; Ikuo Sotome; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","Synthesis of Vinylcycloheptadienes by the Nickel-Catalyzed Three-Component [3 + 2 + 2] Cocyclization. Application to the Synthesis of Polycyclic Compounds","Journal of Organic Chemistry","2009","74","","3323","3329","10.1021/jo900189g","","","0.71073","MoKα","","0.0603","0.0419","","","0.1197","0.1382","","","","","","0.821","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024493","6.8696","0.0009","15.464","0.002","17.975","0.002","90","","92.963","0.002","90","","1906.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C76 H88 N16 O12 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1088","0.055","","","0.1444","0.175","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024494","6.6668","0.0008","14.9641","0.0017","15.9727","0.0018","90","","95.186","0.001","90","","1587","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N4 O2 S -","- C15.008 H16.016 N4 O2 S -","- C60.032 H64.064 N16 O8 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0482","0.0406","","","0.106","0.1122","","","","","","1.101","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024495","6.7152","0.0011","14.552","0.002","17.336","0.003","90","","96.071","0.002","90","","1684.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O2 S -","- C16 H18 N4 O2 S -","- C64 H72 N16 O8 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0534","0.0427","","","0.1154","0.1241","","","","","","1.049","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024496","13.6175","0.0015","15.2656","0.0017","18.229","0.002","90","","109.099","0.002","90","","3580.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 O2 S -","- C18 H20 N4 O2 S -","- C144 H160 N32 O16 S8 -","8","2","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1299","0.0598","","","0.1499","0.1903","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024497","6.5865","0.0007","12.567","0.0013","14.6548","0.0015","66.545","0.001","81.086","0.001","87.74","0.001","1099","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 F N5 O3 S -","- C20 H23 F N5 O3 S -","- C40 H46 F2 N10 O6 S2 -","2","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0433","0.0405","","","0.118","0.1209","","","","","","1.106","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024498","6.7158","0.001","11.9402","0.0017","13.3729","0.0019","98.031","0.002","95.781","0.002","99.664","0.002","1038.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 F N4 O3 S -","- C17 H17 F N4 O3 S -","- C34 H34 F2 N8 O6 S2 -","2","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0479","0.045","","","0.136","0.1394","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024499","9.74","0.005","10.793","0.01","10.943","0.006","103.474","0.008","111.391","0.006","96.195","0.008","1017.7","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N4 O2 S -","- C20 H17 Cl N4 O2 S -","- C40 H34 Cl2 N8 O4 S2 -","2","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1638","0.147","","","0.4769","0.486","","","","","","2.091","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024500","6.0718","0.0007","27.435","0.003","11.4981","0.0014","90","","94.341","0.002","90","","1909.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N4 O2 S -","- C18 H22 N4 O2 S -","- C72 H88 N16 O8 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0433","0.0363","","","0.089","0.0918","","","","","","1.05","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024501","11.652","0.007","14.169","0.008","20.196","0.012","90","","100.443","0.009","90","","3279","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 N7 O3 S -","- C32 H37 N7 O3 S -","- C128 H148 N28 O12 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1799","0.0804","","","0.1934","0.2229","","","","","","1.025","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024502","23.222","0.016","13.94","0.01","21.503","0.015","90","","111.936","0.009","90","","6457","8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl2 N7 O3 S -","- C30 H31 Cl2 N7 O3 S -","- C240 H248 Cl16 N56 O24 S8 -","8","2","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0766","0.0526","","","0.1547","0.1717","","","","","","1.087","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024503","10.6396","0.0008","10.8859","0.0011","11.1091","0.0012","90","","107.53","0.008","90","","1226.9","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethyl-7-(3-methylbenzyl)-2,3,5,6-tetraoxabicyclo[2.2.1]heptane","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Vladimir V. Chernyshev; Gennady I. Nikishin","Facile and Selective Procedure for the Synthesis of Bridged 1,2,4,5-Tetraoxanes; Strong Acids As Cosolvents and Catalysts for Addition of Hydrogen Peroxide to β-Diketones","Journal of Organic Chemistry","2009","74","","3335","3340","10.1021/jo900226b","","x-ray","1.54184","CuKα","","0.1124","0.0587","","","0.1415","0.1749","","","","","","1.016","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024504","5.5187","0.001","9.6577","0.0015","17.276","0.003","90","","94.944","0.013","90","","917.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1,4-Dimethyl-2,3,5,6-tetraoxabicyclo[2.2.1]hept-7-yl)propanenitrile","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Vladimir V. Chernyshev; Gennady I. Nikishin","Facile and Selective Procedure for the Synthesis of Bridged 1,2,4,5-Tetraoxanes; Strong Acids As Cosolvents and Catalysts for Addition of Hydrogen Peroxide to β-Diketones","Journal of Organic Chemistry","2009","74","","3335","3340","10.1021/jo900226b","","x-ray","1.54184","CuKα","","0.0953","0.0391","","","0.0763","0.0988","","","","","","0.934","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024505","9.0473","0.0015","7.9725","0.0013","13.064","0.002","90","","96.046","0.003","90","","937","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C48 H28 N4 O12 -","4","1","","Ke-Lai Li; Zong-Bo Du; Can-Cheng Guo; Qing-Yun Chen","Regioselective Syntheses of 2- and 4-Formylpyrido[2,1-b]benzoxazoles","Journal of Organic Chemistry","2009","74","","3286","3292","10.1021/jo900267c","","","0.71073","MoKα","","0.0688","0.0496","","","0.115","0.1243","","","","","","0.934","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024506","11.174","0.0013","24.096","0.003","13.9587","0.0015","90","","91.454","0.002","90","","3757.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 Br2 N4 Ni O2.5 -","- C45 H29 Br2 N4 Ni O2.5 -","- C180 H116 Br8 N16 Ni4 O10 -","4","1","","Ke-Lai Li; Zong-Bo Du; Can-Cheng Guo; Qing-Yun Chen","Regioselective Syntheses of 2- and 4-Formylpyrido[2,1-b]benzoxazoles","Journal of Organic Chemistry","2009","74","","3286","3292","10.1021/jo900267c","","","0.71073","MoKα","","0.1298","0.0613","","","0.1409","0.1637","","","","","","0.854","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024507","14.51","0.003","12.862","0.003","13.257","0.003","90","","116.518","0.008","90","","2213.8","0.9","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br2 Cl N5 O3 S2 -","- C19 H20.95 Br2 Cl N5 O3 S2 -","- C76 H83.8 Br8 Cl4 N20 O12 S8 -","4","1","","Ken S. Feldman; Matthew D. Fodor","Extending Pummerer Reaction Chemistry: (\±)-Dibromoagelaspongin Synthesis and Related Studies","Journal of Organic Chemistry","2009","74","","3449","3461","10.1021/jo900283g","","","0.71073","MoKα","","0.0668","0.0551","","","0.1333","0.1405","","","","","","1.038","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024508","10.7455","0.0001","18.3338","0.0002","19.2355","0.0002","78.1129","0.0007","86.5602","0.0007","79.1068","0.0006","3640.55","0.06","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C110 H172 Cl20 N8 O12 P8 Pt4 -","- C110 H172 Cl20 N8 O12 P8 Pt4 -","- C110 H172 Cl20 N8 O12 P8 Pt4 -","1","0.5","","Yao-Rong Zheng; Brian H Northrop; Hai-Bo Yang; Liang Zhao; Peter J. Stang","Geometry Directed Self-Selection in the Coordination-Driven Self-Assembly of Irregular Supramolecular Polygons","Journal of Organic Chemistry","2009","74","","3554","3557","10.1021/jo9002932","","","0.71073","MoKα","","0.0703","0.0481","","","0.1148","0.1268","","","","","","1.033","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024509","15.304","0.0007","12.8609","0.0006","16.9243","0.0008","90","","97.331","0.002","90","","3303.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 N8 O4 -","- C39 H30 N8 O4 -","- C156 H120 N32 O16 -","4","1","","Mateo Alajarin; Baltasar Bonillo; Marta Marin-Luna; Angel Vidal; Raul-Angel Orenes","[4 + 2] Cycloaddition Reaction of C-Aryl Ketenimines with PTAD as a Synthetic Equivalent of Dinitrogen. Synthesis of Triazolocinnolines and Cinnolines","Journal of Organic Chemistry","2009","74","","3558","3561","10.1021/jo900304a","","","0.71073","MoKα","","0.0941","0.0748","","","0.1376","0.1451","","","","","","1.213","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024510","8.4571","0.0003","9.2494","0.0003","10.8669","0.0004","85.591","0.002","70.701","0.002","68.778","0.001","746.99","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3-iodo-6-methyl-4-(phenylselenyl)-2H-chromene","3-iodo-6-methyl-4-(phenylselenyl)-2H-chromene","","- C16 H13 I O Se -","- C16 H13 I O Se -","- C32 H26 I2 O2 Se2 -","2","1","","Benhur Godoi; Adriane Sperança; Davi F. Back; Ricardo Brandão; Cristina W. Nogueira; Gilson Zeni","Synthesis of Organochalcogen Propargyl Aryl Ethers and Their Application in the Electrophilic Cyclization Reaction: An Efficient Preparation of 3-Halo-4-Chalcogen-2H-Benzopyrans","Journal of Organic Chemistry","2009","74","","3469","3477","10.1021/jo900307k","","","0.71073","MoKα","","0.0449","0.0284","","","0.0804","0.1003","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024511","14.7856","0.0011","7.6774","0.0006","15.6922","0.0012","90","","112.634","0.002","90","","1644.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Chad J. Stearman; Michael Wilson; Albert Padwa","Conjugate Addition-Dipolar Cycloaddition Cascade for the Synthesis of Benzo[a]quinolizine and Indolo[a]quinolizine Scaffolds: Application to the Total Synthesis of (\±)-Yohimbenone","Journal of Organic Chemistry","2009","74","","3491","3499","10.1021/jo9003579","","","0.71073","MoKα","","0.0564","0.0428","","","0.1035","0.1071","","","","","","1.059","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024512","15.99","0.04","13.39","0.017","11.462","0.015","90","","102.28","0.07","90","","2398","7","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2:1 cot adduct with dibenzoylethene","trans-17,18-dibenzoyl-anti,anti-hexacyclo[8.3.3.2(4,7).0(2,9).0(3,8).0(13,14)] octadeca-5,11,15-triene","","- C32 H28 O2 -","- C32 H28 O2 -","- C128 H112 O8 -","4","1","","Roman A. Valiulin; Donald G. Dressen; Jennifer R. Riggs; Faven M. Habte; Andrei G. Kutateladze","Effect of Intramolecular Paternò-Büchi Reaction on the Thermodynamics and Kinetics of Nearly Degenerate [3,3]-Sigmatropic Shift in Fluxional Polycycles","Journal of Organic Chemistry","2009","74","","3484","3490","10.1021/jo9003822","","","0.71075","MoKα","","0.1367","0.0691","","","0.1495","0.1825","","","","","","1.015","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024513","6.7012","0.0004","10.9484","0.0006","16.1361","0.0009","106.685","0.001","91.706","0.001","91.06","0.002","1133.07","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C64 H56 O4 -","2","1","","Roman A. Valiulin; Donald G. Dressen; Jennifer R. Riggs; Faven M. Habte; Andrei G. Kutateladze","Effect of Intramolecular Paternò-Büchi Reaction on the Thermodynamics and Kinetics of Nearly Degenerate [3,3]-Sigmatropic Shift in Fluxional Polycycles","Journal of Organic Chemistry","2009","74","","3484","3490","10.1021/jo9003822","","","0.71075","MoKα","","0.0677","0.0504","","","0.1138","0.1251","","","","","","1.016","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024514","8.6542","0.0012","13.1501","0.0015","18.9821","0.0018","90.359","0.004","98.88","0.006","97.362","0.005","2116","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","2","","Lin Luo; Gui-Hong Liao; Xiao-Ling Wu; Lei Lei; Chen-Ho Tung; Li-Zhu Wu","γ-Cyclodextrin-Directed Enantioselective Photocyclodimerization of Methyl 3-Methoxyl-2-naphthoate","Journal of Organic Chemistry","2009","74","","3506","3515","10.1021/jo900395v","","","0.7107","MoKα","","0.0909","0.0736","","","0.1489","0.1587","","","","","","1.185","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024515","6.8927","0.0007","9.7044","0.0011","15.8321","0.0018","89.115","0.008","81.221","0.007","72.546","0.007","997.89","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C48 H42 N6 O4 -","2","1","","Chinmay Chowdhury; Sanjukta Mukherjee; Bimolendu Das; Basudeb Achari","Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-c]morpholines through Palladium-Copper Catalysis","Journal of Organic Chemistry","2009","74","","3612","3615","10.1021/jo900428j","","","0.71073","MoKα","","0.061","0.0417","","","0.1083","0.1201","","","","","","1.06","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024516","11.3308","0.0003","7.2577","0.0002","39.1469","0.0009","90","","90","","90","","3219.27","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","triazolomorpholine","","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C144 H128 N32 O24 -","8","1","","Chinmay Chowdhury; Sanjukta Mukherjee; Bimolendu Das; Basudeb Achari","Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-c]morpholines through Palladium-Copper Catalysis","Journal of Organic Chemistry","2009","74","","3612","3615","10.1021/jo900428j","","","0.71073","MoKα","","0.0608","0.0465","","","0.1491","0.1662","","","","","","1.121","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024517","12.5969","0.0017","7.898","0.001","14.3767","0.0019","90","","105.711","0.002","90","","1376.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Peng Peng; Bo-Xiao Tang; Shao-Feng Pi; Yun Liang; Jin-Heng Li","Synthesis of (E)-3-(Isobenzofuran-3(1H)-ylidene)indolin-2-ones by the Palladium-Catalyzed Intramolecular C-H Functionalization Process","Journal of Organic Chemistry","2009","74","","3569","3572","10.1021/jo900437p","","","0.71073","MoKα","","0.0703","0.0585","","","0.1362","0.1436","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024518","12.3987","0.0019","8.8054","0.0009","15.3697","0.0025","90","","99.279","0.013","90","","1656.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 1-hydroxy-2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-3-ylphosphonate","","- C14 H24 N O4 P -","- C14 H24 N O4 P -","- C56 H96 N4 O16 P4 -","4","1","","Jesús M. de los Santos; Roberto Ignacio; Domitila Aparicio; Francisco Palacios; José M. Ezpeleta","Reactions of Conjugate Phosphinyl- and Phosphonyl-Nitroso Alkenes with Enamines. Preparation of N-Hydroxypyrrole Derivatives","Journal of Organic Chemistry","2009","74","","3444","3448","10.1021/jo900489j","","","0.71073","MoKα","","0.201","0.0895","","","0.2158","0.2548","","","","","","1.121","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024519","9.8044","0.0008","9.031","0.0005","20.3865","0.0018","90","","103.872","0.006","90","","1752.45","0.22","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Diphenylphosphoryl)-4-isopropyl-2-methyl-1H-pyrrol-1-ol","","- C20 H22 N O2 P -","- C20 H22 N O2 P -","- C80 H88 N4 O8 P4 -","4","1","","Jesús M. de los Santos; Roberto Ignacio; Domitila Aparicio; Francisco Palacios; José M. Ezpeleta","Reactions of Conjugate Phosphinyl- and Phosphonyl-Nitroso Alkenes with Enamines. Preparation ofN-Hydroxypyrrole Derivatives","Journal of Organic Chemistry","2009","74","","3444","3448","10.1021/jo900489j","","","0.71073","MoKα","","0.0873","0.041","","","0.0974","0.1176","","","","","","0.612","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024520","10.0878","0.0004","17.7918","0.0007","24.6418","0.001","90","","90","","90","","4422.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H47 N2 O8 -","- C53 H47 N2 O8 -","- C212 H188 N8 O32 -","4","1","","Sharad Gupta; Christian E. Schafmeister","Synthesis of a Carboxylate Functionalized Bis-Amino Acid Monomer","Journal of Organic Chemistry","2009","74","","3652","3658","10.1021/jo802679n","","","0.71073","MoKα","","0.082","0.0659","","","0.1675","0.1758","","","","","","1.394","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024521","10.2395","0.0003","8.8488","0.0002","25.3299","0.0007","90","","90","","90","","2295.07","0.11","298","","","","","","","","","","Synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F2 N O2 -","- C12 H11 F2 N O2 -","- C96 H88 F16 N8 O16 -","8","1","","Teerawut Bootwicha; Duanghathai Panichakul; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Fluoride-Catalyzed Addition of PhSCF2SiMe3 to N-Substituted Cyclic Imides Followed by Radical Cyclization: General Synthetic Strategy of gem-Difluoromethylenated 1-Azabicyclic Compounds","Journal of Organic Chemistry","2009","74","","3798","3805","10.1021/jo802794u","","","0.71073","MoKα","","0.0587","0.0417","","","0.1085","0.1202","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024522","12.053","0.0005","10.2639","0.0003","10.4166","0.0003","90","","112.362","0.002","90","","1191.74","0.07","298","","","","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F2 N O2 -","- C13 H13 F2 N O2 -","- C52 H52 F8 N4 O8 -","4","1","","Teerawut Bootwicha; Duanghathai Panichakul; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Fluoride-Catalyzed Addition of PhSCF2SiMe3 to N-Substituted Cyclic Imides Followed by Radical Cyclization: General Synthetic Strategy of gem-Difluoromethylenated 1-Azabicyclic Compounds","Journal of Organic Chemistry","2009","74","","3798","3805","10.1021/jo802794u","","","0.71073","MoKα","","0.0714","0.0557","","","0.176","0.1886","","","","","","1.366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024523","7.5972","0.0001","30.8725","0.0006","12.6752","0.0002","90","","103.548","0.001","90","","2890.17","0.08","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 S2 -","- C17 H14 N2 S2 -","- C136 H112 N16 S16 -","8","2","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Thionation of Mesoionics with Isothiocyanates: Evidence Supporting a Four-Step Domino Process and Ruling Out a [2 + 2] Mechanism","Journal of Organic Chemistry","2009","74","","3698","3705","10.1021/jo900028c","","","0.71073","MoKα","","0.1073","0.0508","","","0.1353","0.173","","","","","","0.824","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024524","13.5187","0.0003","7.0193","0.0002","22.355","0.0006","90","","91.322","0.002","90","","2120.74","0.1","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C100 H84 N12 O8 S4 -","4","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Thionation of Mesoionics with Isothiocyanates: Evidence Supporting a Four-Step Domino Process and Ruling Out a [2 + 2] Mechanism","Journal of Organic Chemistry","2009","74","","3698","3705","10.1021/jo900028c","","","0.71073","MoKα","","0.0926","0.0529","","","0.1162","0.1344","","","","","","1.025","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024525","8.2629","0.0001","17.7278","0.0004","12.9017","0.0002","90","","93.382","0.001","90","","1886.59","0.06","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Thionation of Mesoionics with Isothiocyanates: Evidence Supporting a Four-Step Domino Process and Ruling Out a [2 + 2] Mechanism","Journal of Organic Chemistry","2009","74","","3698","3705","10.1021/jo900028c","","","0.71073","MoKα","","0.0741","0.0559","","","0.114","0.1238","","","","","","1.091","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024526","19.0217","0.0005","6.1365","0.0001","20.6038","0.0005","90","","106.897","0.003","90","","2301.19","0.1","123","","123","","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0463","0.0432","","","0.1151","0.1175","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024527","6.1755","0.0003","12.6779","0.0006","30.4159","0.0011","90","","90","","90","","2381.33","0.18","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.1","0.0708","","","0.1764","0.1928","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024528","10.1417","0.0001","16.2309","0.0002","27.032","0.0004","90","","90","","90","","4449.71","0.1","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 Br2 N4 O11 -","- C40 H58 Br2 N4 O11 -","- C160 H232 Br8 N16 O44 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0386","0.0343","","","0.0865","0.0888","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024529","14.5166","0.0001","28.6529","0.0002","15.3841","0.0001","90","","104.305","0.001","90","","6200.5","0.08","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C108 H138 Br6 N12 O24 -","- C54 H69 Br3 N6 O12 -","- C216 H276 Br12 N24 O48 -","4","2","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0601","0.0558","","","0.1457","0.1488","","","","","","1.059","","","","has coordinates","190330","2020-10-21","18:00:00",""
"4024530","19.0053","0.0005","6.12864","0.00016","20.606","0.0007","90","","106.886","0.003","90","","2296.64","0.12","123","","123","","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0376","0.0336","","","0.0855","0.0878","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024531","6.18536","0.00006","17.91432","0.00012","21.0806","0.00015","90","","90","","90","","2335.87","0.03","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0311","0.0284","","","0.0699","0.0715","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024532","10.1949","0.0001","16.3634","0.0001","50.9856","0.0004","90","","90","","90","","8505.58","0.12","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52.5 Br2 N4 O9.5 -","- C78 H105 Br4 N8 O19 -","- C312 H420 Br16 N32 O76 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0361","0.0343","","","0.0821","0.0831","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024533","10.9445","0.0001","19.3924","0.0001","17.9304","0.0001","90","","104.032","0.001","90","","3692","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H88 Br4 N8 O15 -","- C70 H88 Br4 N8 O15 -","- C140 H176 Br8 N16 O30 -","2","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0327","0.0317","","","0.0803","0.081","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024534","12.5603","0.0011","18.4561","0.0011","12.4825","0.0009","90","","90","","90","","2893.6","0.4","446","2","446","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H44 N4 O2 S2 -","- C28 H44 N4 O2 S2 -","- C112 H176 N16 O8 S8 -","4","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","","0.71073","MoKα","","0.0326","0.0279","","","0.0525","0.0541","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024535","6.3734","0.0002","12.5913","0.0003","26.0483","0.0006","90","","90","","90","","2090.36","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","x-ray","0.71073","MoKα","","0.0775","0.0417","","","0.0737","0.0844","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024536","10.138","0.003","6.3932","0.0019","12.128","0.004","90","","113.672","0.004","90","","719.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C28 H46 N2 O6 -","2","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","x-ray","0.71073","MoKα","","0.0686","0.0439","","","0.0862","0.0951","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024537","8.3781","0.0011","8.9255","0.0012","16.616","0.002","90","","90","","90","","1242.5","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O7 -","- C11 H16 O7 -","- C44 H64 O28 -","4","1","","Bin Wang; Xin-Yan Wu; O. Andrea Wong; Brian Nettles; Mei-Xin Zhao; Dajun Chen; Yian Shi","A Diacetate Ketone-Catalyzed Asymmetric Epoxidation of Olefins","Journal of Organic Chemistry","2009","74","","3986","3989","10.1021/jo900330n","","","0.71073","MoKα","","0.053","0.0421","","","0.1207","0.1288","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024538","11.229","0.0003","15.755","0.0004","11.592","0.0004","90","","96.017","0.0009","90","","2039.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","1","","Nicolas Toselli; David Martin; Mathieu Achard; Alphonse Tenaglia; Gérard Buono","Highly Regio- and Stereocontrolled Formation of Functionalized Tricyclo[4.2.1.02,8]non-3-enes","Journal of Organic Chemistry","2009","74","","3783","3791","10.1021/jo900344j","","","0.71073","MoKα","","0.074","0.0653","","","0.167","0.1749","","","","","","1.065","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024539","9.582","0.0004","11.49","0.0006","11.534","0.0005","90","","117.668","0.003","90","","1124.65","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Nicolas Toselli; David Martin; Mathieu Achard; Alphonse Tenaglia; Gérard Buono","Highly Regio- and Stereocontrolled Formation of Functionalized Tricyclo[4.2.1.02,8]non-3-enes","Journal of Organic Chemistry","2009","74","","3783","3791","10.1021/jo900344j","","","0.71073","MoKα","","0.0543","0.0503","","","0.1241","0.1264","","","","","","1.158","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024540","11.801","0.002","6.6536","0.0008","13.944","0.003","90","","100.22","0.02","90","","1077.6","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5S,6S)-6-(tert-butyldimethylsilyloxy)-6-((S)-2,2- dimetyhl-1,3-dioxolan-4-yl)- 5-hydroxy-4-methylhexan-3-one","","- C18 H36 O5 Si -","- C18 H36 O5 Si -","- C36 H72 O10 Si2 -","2","1","","Kerstin Rohr; Robert Herre; Rainer Mahrwald","Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads","Journal of Organic Chemistry","2009","74","","3744","3749","10.1021/jo9003635","","","0.71073","MoKα","","0.0293","0.0254","","","0.062","0.0631","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024541","5.0705","0.0008","10.9552","0.0013","21.325","0.004","90","","92.876","0.014","90","","1183.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-cyclohexyl-2-methylpentane-1.3-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Kerstin Rohr; Robert Herre; Rainer Mahrwald","Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads","Journal of Organic Chemistry","2009","74","","3744","3749","10.1021/jo9003635","","","0.71073","MoKα","","0.0564","0.0365","","","0.0815","0.086","","","","","","0.94","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024542","9.4139","0.0011","10.6583","0.0012","10.9899","0.0014","93.836","0.01","111.469","0.009","95.665","0.009","1014.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-cyclohexyl-3-hydroxy-2-mthyl-3-phenylpropyl cyclohexanecarboxylate","","- C23 H34 O3 -","- C23 H34 O3 -","- C46 H68 O6 -","2","1","","Kerstin Rohr; Robert Herre; Rainer Mahrwald","Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads","Journal of Organic Chemistry","2009","74","","3744","3749","10.1021/jo9003635","","","0.71073","MoKα","","0.1153","0.0602","","","0.1079","0.123","","","","","","0.95","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024543","9.1248","0.0005","9.1789","0.0005","13.5217","0.0007","78.917","0.003","78.654","0.003","68.433","0.003","1023.68","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 N2 O3 S -","- C23 H16 N2 O3 S -","- C46 H32 N4 O6 S2 -","2","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0543","0.0445","","","0.1266","0.1329","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024544","10.691","0.004","11.458","0.004","14.371","0.005","90","","90.943","0.005","90","","1760.2","1.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0389","0.0308","","","0.0734","0.0776","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024545","15.3989","0.0013","5.6954","0.0005","21.6927","0.0018","90","","90","","90","","1902.5","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 F3 N2 O2 -","- C21 H19 F3 N2 O2 -","- C84 H76 F12 N8 O8 -","4","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0354","0.0318","","","0.0738","0.0756","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024546","13.5064","0.0005","10.7007","0.0004","14.0638","0.0005","90","","115.798","0.002","90","","1830.03","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N3 O -","- C21 H22 N3 O -","- C84 H88 N12 O4 -","4","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0474","0.0424","","","0.1136","0.1194","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024547","8.5861","0.0003","11.4848","0.0004","16.5942","0.0005","90","","90","","90","","1636.35","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2,3-Dihydro-3-iso-propyl-2-(toluene-4-sulfonyl) benzo[d]isothiazole","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C68 H76 N4 O8 S8 -","4","1","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.0219","0.0212","","","0.0607","0.0612","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024548","10.8068","0.0003","11.127","0.0003","14.8373","0.0004","90","","90","","90","","1784.14","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 S2 -","- C20 H17 N O2 S2 -","- C80 H68 N4 O8 S8 -","4","1","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.0315","0.0264","","","0.0708","0.0743","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024549","12.9032","0.0003","15.0674","0.0003","23.2385","0.0004","90","","90","","90","","4517.98","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-4,5-Dihydro-2,3-dimethyldicarboxylate-4- (toluene-4-sulfonyl)-5-(iso-propyl)-1,4-benzo[f]thiazepine","","- C23 H25 N O6 S2 -","- C23 H25 N O6 S2 -","- C184 H200 N8 O48 S16 -","8","2","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.047","0.0354","","","0.0855","0.0918","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024550","11.7089","0.0017","11.4168","0.0017","14.228","0.002","90","","90","","90","","1902","0.5","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C72 H112 N16 O16 -","4","0.5","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1385","0.1282","","","0.1829","0.1873","","","","","","1.284","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024551","12.7815","0.0015","11.2772","0.0013","20.068","0.002","90","","107.626","0.002","90","","2756.8","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C108 H168 N24 O24 -","12","3","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1558","0.1394","","","0.3519","0.3651","","","","","","1.172","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024552","12.7815","0.0015","11.2772","0.0013","20.068","0.002","90","","107.626","0.002","90","","2756.8","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O2 -","- C9 H12 N2 O2 -","- C108 H144 N24 O24 -","12","3","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1869","0.172","","","0.4249","0.434","","","","","","1.735","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024553","10.0832","0.0015","10.59","0.0016","11.4835","0.0017","90","","90","","90","","1226.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O3 S -","- C13 H14 O3 S -","- C52 H56 O12 S4 -","4","1","","David Cruz Cruz; Francisco Yuste; M. Rosario Martín; Amelia Tito; José L. García Ruano","1,3-Dipolar Cycloaddition of Diazoalkanes to (S)-(+)-3-[(4-Methylphenyl)sulfinyl]-5,6-dihydropyran-2-one. Synthesis of Optically Pure Cyclopropanes by Denitrogenation of Sulfinyl and Sulfonyl Pyrazolines","Journal of Organic Chemistry","2009","74","","3820","3826","10.1021/jo900525s","","","0.71073","MoKα","","0.0486","0.0379","","","0.074","0.0774","","","","","","0.917","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024554","6.0768","0.0007","10.4374","0.0013","20.79","0.003","90","","90","","90","","1318.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","","David Cruz Cruz; Francisco Yuste; M. Rosario Martín; Amelia Tito; José L. García Ruano","1,3-Dipolar Cycloaddition of Diazoalkanes to (S)-(+)-3-[(4-Methylphenyl)sulfinyl]-5,6-dihydropyran-2-one. Synthesis of Optically Pure Cyclopropanes by Denitrogenation of Sulfinyl and Sulfonyl Pyrazolines","Journal of Organic Chemistry","2009","74","","3820","3826","10.1021/jo900525s","","","0.71073","MoKα","","0.0306","0.0299","","","0.0755","0.076","","","","","","1.078","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024555","9.5967","0.0017","13.576","0.003","22.201","0.006","90","","90","","90","","2892.5","1.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N3 O7 -","- C27 H39 N3 O7 -","- C108 H156 N12 O28 -","4","1","","Andrew D. Abell; Nathan A. Alexander; Steven G. Aitken; Hongyuan Chen; James M. Coxon; Matthew A. Jones; Stephen B. McNabb; Andrew Muscroft-Taylor","Synthesis of Macrocyclic β-Strand Templates by Ring Closing Metathesis","Journal of Organic Chemistry","2009","74","","4354","4356","10.1021/jo802723w","","","0.71073","MoKα","","0.0529","0.0422","","","0.0976","0.1153","","","","","","1.22","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024556","9.563","0.0004","51.1209","0.0018","10.1809","0.0005","90","","100.906","0.002","90","","4887.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 B N O3 -","- C18 H22 B N O3 -","- C216 H264 B12 N12 O36 -","12","3","","Byron E. Collins; Steven Sorey; Amanda E. Hargrove; Shagufta H. Shabbir; Vincent M. Lynch; Eric V. Anslyn","Probing Intramolecular B-N Interactions in Ortho-Aminomethyl Arylboronic Acids","Journal of Organic Chemistry","2009","74","","4055","4060","10.1021/jo900187a","","","0.71069","MoKα","","0.1073","0.0558","","","0.1024","0.1215","","","","","","1.01","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024557","10.761","0.004","9.713","0.003","12.308","0.004","90","","103.209","0.005","90","","1252.4","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O2 S2 -","- C28 H25 N O2 S2 -","- C56 H50 N2 O4 S4 -","2","1","","Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; M. Ascensión Sanz-Tejedor; Inés Alonso; José L. García Ruano","Stereoselective Control of Planar α-Dimethylsulfonium Benzyl Carbanions. Synthesis of Optically Pure trans-Aziridines","Journal of Organic Chemistry","2009","74","","4217","4224","10.1021/jo900381b","","","0.71073","MoKα","","0.0332","0.0298","","","0.0775","0.08","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024558","12.37","0.003","11.328","0.002","21.465","0.004","90","","90","","90","","3007.8","1.1","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.044","0.042","","","0.112","0.115","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024559","10.1757","0.0014","12.1846","0.0015","12.5108","0.0017","90.253","0.007","106.973","0.007","99.206","0.007","1462.4","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","2","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.107","0.093","","","0.228","0.239","","","","","","1.19","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024560","13.0782","0.0019","11.7364","0.0017","18.817","0.003","90","","90","","90","","2888.3","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.045","0.044","","","0.107","0.107","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024561","6.374","0.003","6.41","0.003","16.59","0.004","91.781","0.004","96.664","0.005","118.379","0.011","589.4","0.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.035","0.034","","","0.083","0.084","","","","","","1.09","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024562","31.869","0.005","36.63","0.006","5.7018","0.001","90","","90","","90","","6656","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H19 Cl O2 -","- C19 H19 Cl O2 -","- C304 H304 Cl16 O32 -","16","1","","Ruwei Shen; Shugao Zhu; Xian Huang","Unexpected Pd-Catalyzed Coupling, Propargyl-Allenyl Isomerization and Alder-Ene Reaction: Facile Synthesis of Some Not Readily Available 2,3-Dihydrofuran Derivatives","Journal of Organic Chemistry","2009","74","","4118","4123","10.1021/jo900440u","","","0.71073","MoKα","","0.0991","0.0523","","","0.1035","0.1136","","","","","","0.822","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024563","5.8924","0.0004","20.8589","0.0013","13.5893","0.0008","90","","97.309","0.004","90","","1656.68","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl N2 O -","- C17 H23 Cl N2 O -","- C68 H92 Cl4 N8 O4 -","4","1","","Zhao, Baoguo; Du, Haifeng; Shi, Yian","Cu(I)-Catalyzed C‒H α-Amination of Aryl Ketones: Direct Synthesis of Imidazolinones","Journal of organic chemistry","2009","74","11","4411","4413","10.1021/jo9004553","","","0.71073","MoKα","","0.0787","0.0455","","","0.1208","0.144","","","","","","1.037","","","","has coordinates","210091","2020-10-21","18:00:00",""
"4024564","10.3603","0.0005","19.5772","0.0009","18.0785","0.0008","90","","91.33","0.003","90","","3665.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C156 H192 N24 O12 -","12","3","","Zhao, Baoguo; Du, Haifeng; Shi, Yian","Cu(I)-Catalyzed C‒H α-Amination of Aryl Ketones: Direct Synthesis of Imidazolinones","Journal of organic chemistry","2009","74","11","4411","4413","10.1021/jo9004553","","","0.71073","MoKα","","0.1378","0.0586","","","0.1255","0.1554","","","","","","1","","","","has coordinates","210091","2020-10-21","18:00:00",""
"4024565","5.7387","0.0005","10.1683","0.0007","7.2104","0.0006","90","","106.152","0.005","90","","404.14","0.06","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Cl N O3 -","- C6 H12 Cl N O3 -","- C12 H24 Cl2 N2 O6 -","2","1","","Benson J. Edagwa; Carol M. Taylor","Peptides Containing γ,δ-Dihydroxy-l-leucine","Journal of Organic Chemistry","2009","74","","4132","4136","10.1021/jo900459f","","","1.54178","CuKα","","0.0212","0.021","","","0.0508","0.0509","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024566","7.034","0.001","25.673","0.001","8.066","0.001","90","","90","","90","","1456.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1-[(3aS,4S,6aR)-2,2-Dimethyl-5-(trifluoroacetyl)tetrahydro-3aH- [1,3]dioxolo[4,5-c]pyrrol-4-yl]cyclopropanecarboxylic Acid","","- C13 H16 F3 N O5 -","- C13 H16 F3 N O5 -","- C52 H64 F12 N4 O20 -","4","1","","Franca M. Cordero; Maria Salvati; Carolina Vurchio; Armin de Meijere; Alberto Brandi","Synthesis of α-Cyclopropyl-β-homoprolines","Journal of Organic Chemistry","2009","74","","4225","4231","10.1021/jo9004684","","x-ray","1.54178","CuKα","","0.0643","0.0392","","","0.0961","0.1233","","","","","","0.893","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024567","23.982","0.004","6.0546","0.0007","12.621","0.002","90","","92.222","0.019","90","","1831.1","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","N. Deppermann; A. H. G. P. Prenzel; A. Beitat; W. Maison","Synthesis of Proline-Based Diketopiperazine Scaffolds","Journal of Organic Chemistry","2009","74","","4267","4271","10.1021/jo9004876","","","0.71073","MoKα","","0.1146","0.0761","","","0.1554","0.1805","","","","","","0.948","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024568","9.1263","0.0007","11.538","0.001","16.9865","0.0012","90","","90","","90","","1788.7","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","N. Deppermann; A. H. G. P. Prenzel; A. Beitat; W. Maison","Synthesis of Proline-Based Diketopiperazine Scaffolds","Journal of Organic Chemistry","2009","74","","4267","4271","10.1021/jo9004876","","","0.71073","MoKα","","0.0514","0.038","","","0.0864","0.0918","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024569","7.4474","0.0003","9.3128","0.0004","35.4835","0.0012","90","","90","","90","","2461","0.17","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Br O4 Si -","- C25 H33 Br O4 Si -","- C100 H132 Br4 O16 Si4 -","4","1","","Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan","Journal of Organic Chemistry","2009","74","","4418","4421","10.1021/jo900502d","","","0.71075","MoKα","","","0.0218","","","","0.0503","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024570","10.8315","0.0002","7.99869","0.00014","11.1291","0.0002","90","","101.919","0.001","90","","943.41","0.03","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N4 O3 -","- C19 H26 N4 O3 -","- C38 H52 N8 O6 -","2","1","","Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan","Journal of Organic Chemistry","2009","74","","4418","4421","10.1021/jo900502d","","","1.54187","CuKα","","","0.0279","","","","0.0798","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024571","14.87","0.005","17.144","0.006","11.875","0.004","90","","113.475","0.005","90","","2776.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl4 N4 O13 -","- C58 H56 Cl4 N4 O13 -","- C116 H112 Cl8 N8 O26 -","2","0.5","","Subhadeep Banerjee; Matthias Zeller; Christian Brückner","MTO/H2O2/Pyrazole-Mediated N-Oxidation of meso-Tetraarylporphyrins and -chlorins, and S-Oxidation of a meso-Tetraaryldithiaporphyrin and -chlorin","Journal of Organic Chemistry","2009","74","","4283","4288","10.1021/jo9005443","","","0.71073","MoKα","","0.1903","0.0823","","","0.2237","0.2951","","","","","","1.045","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024572","9.813","0.0011","12.0815","0.0013","13.4125","0.0014","91.168","0.009","105.274","0.009","90.545","0.009","1533.4","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O11 -","- C31 H36 N2 O11 -","- C62 H72 N4 O22 -","2","1","","Virginie Colombel; Olivier Baudoin","Synthetic Approaches to Amino Analogues of N-Acetylcolchinol","Journal of Organic Chemistry","2009","74","","4329","4335","10.1021/jo900632a","","","1.5418","CuKα","","0.1022","0.0862","","0.095","0.085","0.085","","","","","","0.8889","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024573","17.928","0.004","10.085","0.002","38.581","0.008","90","","92.05","0.03","90","","6971","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18.88 H18.75 N O6 -","- C18.9955 H19 N O6 -","- C303.928 H304 N16 O96 -","16","4","","Ding Du; Linxia Li; Zhongwen Wang","N-Heterocyclic Carbene-Catalyzed Domino Ring-Opening/Redox Amidation/Cyclization Reactions of Formylcyclopropane 1,1-Diesters: Direct Construction of a 6-5-6 Tricyclic Hydropyrido[1,2-a]indole Skeleton","Journal of Organic Chemistry","2009","74","","4379","4382","10.1021/jo900650h","","","0.71073","MoKα","","0.0853","0.0616","","","0.1514","0.1684","","","","","","1.04","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024574","5.4881","0.0003","8.1373","0.0004","15.7785","0.0007","90","","91.134","0.004","90","","704.5","0.06","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Robert Cysewski; Marcin Kwit; Beata Warżajtis; Urszula Rychlewska; Jacek Gawroński","Synthesis, Conformation and Chiroptical Properties of Diaryl Esters of Tartaric Acid","Journal of Organic Chemistry","2009","74","","4573","4583","10.1021/jo900206c","","","0.71073","MoKα","","0.0693","0.0498","","","0.1227","0.1375","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024575","5.8352","0.0002","7.9311","0.0003","20.5792","0.0008","100.02","0.003","92.974","0.003","92.513","0.003","935.25","0.06","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","2","","Robert Cysewski; Marcin Kwit; Beata Warżajtis; Urszula Rychlewska; Jacek Gawroński","Synthesis, Conformation and Chiroptical Properties of Diaryl Esters of Tartaric Acid","Journal of Organic Chemistry","2009","74","","4573","4583","10.1021/jo900206c","","","0.71073","MoKα","","0.0397","0.0295","","","0.0625","0.0659","","","","","","0.952","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024576","7.691","0.001","10.311","0.001","17.038","0.001","90","","96.56","0.01","90","","1342.3","0.2","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N2 O5 P -","- C10 H19 N2 O5 P -","- C40 H76 N8 O20 P4 -","4","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","0.71073","MoKα","","0.0917","0.0474","","","0.1057","0.1201","","","","","","1.028","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024577","9.075","0.001","9.616","0.001","10.5","0.001","75.02","0.01","84.11","0.01","61.97","0.01","781.1","0.1","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F3 N2 O2 -","- C16 H17 F3 N2 O2 -","- C32 H34 F6 N4 O4 -","2","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","0.71073","MoKα","","0.1272","0.0651","","","0.1188","0.1419","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024578","5.9468","0.0001","9.2592","0.0002","15.2291","0.0004","107.113","0.001","91.035","0.001","90.367","0.002","801.24","0.03","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 F3 N2 -","- C19 H15 F3 N2 -","- C38 H30 F6 N4 -","2","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","0.71073","MoKα","","0.0893","0.0545","","","0.1269","0.145","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024579","7.026","0.001","16.043","0.005","26.047","0.004","90","","90","","90","","2936","1.1","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F3 N2 O -","- C16 H15 F3 N2 O -","- C128 H120 F24 N16 O8 -","8","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.12","0.0576","","","0.1609","0.1809","","","","","","1.018","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024580","21.159","0.001","8.921","0.001","16.079","0.001","90","","123.22","0.01","90","","2539.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 F3 N2 -","- C14 H13 F3 N2 -","- C112 H104 F24 N16 -","8","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0497","0.0484","","","0.1284","0.1298","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024581","17.1113","0.0004","17.2951","0.0004","18.4728","0.0005","90","","90","","90","","5466.9","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F3 N2 -","- C15 H15 F3 N2 -","- C240 H240 F48 N32 -","16","2","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0574","0.0536","","","0.1483","0.1521","","","","","","1.065","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024582","10.2968","0.0005","11.3686","0.0005","14.3731","0.0008","102.061","0.002","94.523","0.002","101.547","0.004","1599.24","0.14","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 F3 N2 -","- C19 H15 F3 N2 -","- C76 H60 F12 N8 -","4","2","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.082","0.0666","","","0.1688","0.1802","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024583","8.7915","0.0005","16.092","0.001","11.1759","0.0007","90","","106.315","0.004","90","","1517.42","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 N2 S -","- C17 H13 F3 N2 S -","- C68 H52 F12 N8 S4 -","4","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0399","0.0374","","","0.0935","0.0959","","","","","","0.928","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024584","9.696","0.003","11.925","0.003","13.189","0.004","90","","110.928","0.005","90","","1424.37","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N2 O2 -","- C13 H19 Br N2 O2 -","- C52 H76 Br4 N8 O8 -","4","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024585","6.213","0.001","7.676","0.001","21.575","0.004","96.05","0.1","90.61","0.2","96.21","0.1","1016.95","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N2 O5 S -","- C21 H29 N2 O5 S -","- C42 H58 N4 O10 S2 -","2","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024586","10.296","0.002","11.414","0.002","11.568","0.003","114.86","0.1","90.77","0.1","112.91","0.1","1110.38","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4024587","16.8637","0.0011","11.4353","0.0008","19.0576","0.0013","90","","90","","90","","3675.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4024588","34.8509","0.0019","7.5774","0.0004","13.3246","0.0007","90","","90","","90","","3518.7","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H17 N O8 -","- C19 H17 N O8 -","- C152 H136 N8 O64 -","8","2","","Shaofeng Duan; Ranjan Jana; Jon A. Tunge","Lewis Acid-Catalyzed Diastereoselective Hydroarylation of Benzylidene Malonic Esters","Journal of Organic Chemistry","2009","74","","4612","4614","10.1021/jo900367g","","","0.71073","MoKα","","0.0759","0.0564","","","0.1134","0.1201","","","","","","1.004","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024589","10.786","0.002","17.384","0.004","19.229","0.004","90","","92.19","0.03","90","","3602.9","1.3","173","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 O6 S4 -","- C38 H40 O6 S4 -","- C152 H160 O24 S16 -","4","1","","Ondrej Kundrat; Ivana Cisarova; Stanislav Böhm; Michaela Pojarova; Pavel Lhotak","Uncommon Regioselectivity in Thiacalix[4]arene Formylation","Journal of Organic Chemistry","2009","74","","4592","4596","10.1021/jo9005574","","","0.71073","MoKα","","0.068","0.0564","","","0.1468","0.1526","","","","","","1.137","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024590","10.786","0.002","16.764","0.003","20.07","0.004","90","","100.12","0.03","90","","3572.6","1.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O6 S4 -","- C38 H40 O6 S4 -","- C152 H160 O24 S16 -","4","1","","Ondrej Kundrat; Ivana Cisarova; Stanislav Böhm; Michaela Pojarova; Pavel Lhotak","Uncommon Regioselectivity in Thiacalix[4]arene Formylation","Journal of Organic Chemistry","2009","74","","4592","4596","10.1021/jo9005574","","","0.71073","MoKα","","0.0573","0.0413","","0.0564","0.0448","0.0448","","","","","","1.1014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024591","17.725","0.004","18.442","0.004","24.145","0.005","90","","90","","90","","7892","3","173","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H42 Cl2 O6 S4 -","- C39 H42 Cl2 O6 S4 -","- C312 H336 Cl16 O48 S32 -","8","2","","Ondrej Kundrat; Ivana Cisarova; Stanislav Böhm; Michaela Pojarova; Pavel Lhotak","Uncommon Regioselectivity in Thiacalix[4]arene Formylation","Journal of Organic Chemistry","2009","74","","4592","4596","10.1021/jo9005574","","","0.71073","MoKα","","0.0539","0.0455","","","0.1191","0.1269","","","","","","1.021","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024592","5.7253","0.0009","24.706","0.004","8.5593","0.0014","90","","93.664","0.002","90","","1208.3","0.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H26 Br N O4 S -","- C25 H26 Br N O4 S -","- C50 H52 Br2 N2 O8 S2 -","2","1","","Sadagopan Raghavan; Shaik Mustafa; B. Sridhar","A Versatile Route to (E)- and (Z)-2-Hydroxy-3,4-unsaturated Disubstituted Sulfilimines and Their Haloamidation Reaction","Journal of Organic Chemistry","2009","74","","4499","4507","10.1021/jo900569z","","","0.71073","MoKα","","0.0415","0.036","","","0.0829","0.0848","","","","","","0.971","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024593","10.4876","0.0012","23.375","0.003","26.449","0.003","90","","90","","90","","6483.9","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H65 Ag2 Cl5 N4 -","- C73 H65 Ag2 Cl5 N4 -","- C292 H260 Ag8 Cl20 N16 -","4","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0691","0.0491","","","0.0871","0.0933","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024594","12.8839","0.001","12.8839","0.001","37.34","0.004","90","","90","","90","","6198.3","1","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H31 B F4 N2 -","- C39 H31 B F4 N2 -","- C312 H248 B8 F32 N16 -","8","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0949","0.051","","","0.0995","0.1153","","","","","","1.032","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024595","9.466","0.004","17.876","0.008","10.669","0.005","90","","103.358","0.006","90","","1756.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H33 B F4 N2 -","- C36 H33 B F4 N2 -","- C72 H66 B2 F8 N4 -","2","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0892","0.0769","","","0.2039","0.2133","","","","","","1.061","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024596","12.439","0.002","15.741","0.003","15.883","0.003","90","","90","","90","","3109.9","1","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 N2 O3 Si -","- C33 H42 N2 O3 Si -","- C132 H168 N8 O12 Si4 -","4","1","","Giordano Lesma; Nicola Landoni; Tullio Pilati; Alessandro Sacchetti; Alessandra Silvani","Grignard Addition to Imines Derived from Isatine: A Method for the Asymmetric Synthesis of Quaternary 3-Aminooxindoles","Journal of Organic Chemistry","2009","74","","4537","4541","10.1021/jo900623c","","","0.71073","MoKα","","0.076","0.0372","","","0.0711","0.0847","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024597","13.444","0.0019","13.444","0.0019","32.156","0.006","90","","90","","90","","5811.9","1.6","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C29 H25 Br N2 O3 S -","- C29 H25 Br N2 O3 S -","- C232 H200 Br8 N16 O24 S8 -","8","1","","Liang Cheng; Li Liu; Han Jia; Dong Wang; Yong-Jun Chen","Enantioselective Organocatalytic anti-Mannich-Type Reaction of N-Unprotected 3-Substituted 2-Oxindoles with Aromatic N-Ts-aldimines","Journal of Organic Chemistry","2009","74","","4650","4653","10.1021/jo9006688","","","0.71073","MoKα","","0.0854","0.0357","","","0.0785","0.0855","","","","","","0.546","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024598","9.5668","0.0004","11.9743","0.0005","13.3768","0.0006","100.076","0.002","95.427","0.002","98.737","0.002","1479.64","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 F3 N O6 S -","- C31 H30 F3 N O6 S -","- C62 H60 F6 N2 O12 S2 -","2","1","","Laura Rivado-Casas; Diego Sampedro; Pedro J. Campos; Stefania Fusi; Vinicio Zanirato; Massimo Olivucci","Fluorenylidene-Pyrroline Biomimetic Light-Driven Molecular Switches","Journal of Organic Chemistry","2009","74","","4666","4674","10.1021/jo802792j","","","0.71073","MoKα","","0.1416","0.0629","","","0.138","0.1884","","","","","","1.067","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024599","47.612","0.0015","14.929","0.0005","14.737","0.0005","90","","97.93","0.002","90","","10374.9","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C98 H150 Si8 -","- C98 H150 Si8 -","- C392 H600 Si32 -","4","0.5","","Abdelaziz Al Ouahabi; Paul N. W. Baxter; Jean-Paul Gisselbrecht; André De Cian; Lydia Brelot; Nathalie Kyritsakas-Gruber","Synthesis and Properties of Oligo[n]cruciforms: Nanosized Sterically Encumbered Tetraethynylphenyl-Homologated Fluorophores","Journal of Organic Chemistry","2009","74","","4675","4689","10.1021/jo802797e","","","0.71073","MoKα","","0.1281","0.0724","","","0.1669","0.1923","","","","","","1.027","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024600","15.9","0.004","6.2937","0.0017","16.234","0.004","90","","107.461","0.004","90","","1549.7","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 Br2 N2 O10 -","- C30 H38 Br2 N2 O10 -","- C60 H76 Br4 N4 O20 -","2","1","","Grier A. Wallace; Thomas D. Gordon; Martin E. Hayes; Donald B. Konopacki; Shannon R. Fix-Stenzel; Xiaolei Zhang; Pintipa Grongsaard; Kevin P. Cusack; Lisa M. Schaffter; Rodger F. Henry; Robert H. Stoffel","Scalable Synthesis and Isolation of the Four Stereoisomers of Methyl 1-Amino-3-(4-bromophenyl)cyclopentanecarboxylate, Useful Intermediates for the Synthesis of S1P1 Receptor Agonists","Journal of Organic Chemistry","2009","74","","4886","4889","10.1021/jo900376b","","","0.71073","MoKα","","0.0679","0.0473","","","0.1108","0.1302","","","","","","1.037","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4024601","12.5312","0.0007","9.2418","0.0005","17.3114","0.0009","90","","96.776","0.001","90","","1990.84","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N6 O2 -","- C46 H54 N6 O2 -","- C92 H108 N12 O4 -","2","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.71073","MoKα","","0.0507","0.0451","","","0.1206","0.1263","","","","","","1.042","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024602","14.0071","0.0018","9.1925","0.0012","22.496","0.003","90","","90","","90","","2896.6","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C136 H128 N16 O8 -","4","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.71073","MoKα","","0.086","0.0388","","","0.0696","0.0809","","","","","","0.805","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024603","7.934","0.002","9.003","0.003","12.354","0.003","82.598","0.004","73.657","0.004","89.266","0.004","839.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 D12 N4 O4 S2 -","- C38 H44 N4 O4 S2 -","- C38 H44 N4 O4 S2 -","1","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.7749","synchrotron","","0.0834","0.0506","","","0.115","0.1312","","","","","","1.006","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024604","11.728","0.001","11.728","0.001","26.998","0.005","90","","90","","120","","3216","0.7","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C20 H30 N2 O4 -","- C20 H30 N2 O4 -","- C120 H180 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","x-ray","0.71073","MoKα","","0.1434","0.0774","","","0.1858","0.2375","","","","","","1.092","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024605","9.5948","0.0001","9.5948","0.0001","40.057","0.0009","90","","90","","120","","3193.6","0.09","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C138 H168 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.04","0.0344","","","0.0936","0.0964","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024606","12.1051","0.0006","12.1051","0.0006","27.288","0.003","90","","90","","120","","3462.8","0.5","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C20 H29 I N2 O4 -","- C20 H29 I N2 O4 -","- C120 H174 I6 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1022","0.0598","","","0.0766","0.0873","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024607","15.304","0.002","5.7408","0.0007","15.6163","0.0019","90","","108.412","0.001","90","","1301.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 -","- C29 H32 N2 O4 -","- C58 H64 N4 O8 -","2","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0679","0.0576","","","0.1543","0.1655","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024608","8.5884","0.0004","11.5592","0.0006","11.6674","0.0005","90","","92.501","0.001","90","","1157.18","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 I N2 O4 -","- C22 H31 I N2 O4 -","- C44 H62 I2 N4 O8 -","2","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0305","0.0248","","","0.0485","0.0505","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024609","11.7111","0.0002","11.7978","0.0002","37.5941","0.0007","90","","90","","90","","5194.2","0.16","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C208 H272 N16 O32 -","8","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1556","0.0542","","","0.1279","0.149","","","","","","0.993","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024610","11.1614","0.0006","12.0504","0.0006","18.1145","0.0008","90","","90","","90","","2436.4","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0578","0.045","","","0.1199","0.1338","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024611","10.3923","0.0005","14.8644","0.0007","16.1866","0.0007","90","","90","","90","","2500.4","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0664","0.0462","","","0.1308","0.1524","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024612","10.039","0.0007","13.2921","0.0009","19.1025","0.0013","90","","90","","90","","2549","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.131","0.0642","","","0.1436","0.1848","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024613","9.8874","0.0016","14.583","0.003","17.664","0.003","90","","90","","90","","2546.9","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0713","0.0408","","","0.0939","0.1117","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024614","9.7394","0.0005","13.3833","0.0007","19.0046","0.0008","90","","90","","90","","2477.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.093","0.054","","","0.1167","0.1459","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024615","34.192","","8.269","","11.228","","90","","90","","90","","3174.5","","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H33 Cl3 I N3 O5 -","- C27 H33 Cl3 I N3 O5 -","- C108 H132 Cl12 I4 N12 O20 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0503","0.0382","","","0.1071","0.1136","","","","","","1.03","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024616","44.8052","0.0013","44.8052","0.0013","8.8254","0.0004","90","","90","","120","","15343.4","0.9","223","2","223","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C31 H42 I N3 O5 -","- C31 H42 I N3 O5 -","- C558 H756 I18 N54 O90 -","18","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0714","0.0442","","","0.1078","0.1238","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024617","6.1613","0.0003","15.2508","0.0007","32.8063","0.0017","90","","90","","90","","3082.6","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 I N3 O5 -","- C31 H40 I N3 O5 -","- C124 H160 I4 N12 O20 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1088","0.0472","","","0.0782","0.0945","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024618","9.8375","0.0013","10.8487","0.0014","14.9223","0.0018","95.264","0.004","90.527","0.004","91.967","0.004","1584.8","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H40 I N3 O5 -","- C31 H40 I N3 O5 -","- C62 H80 I2 N6 O10 -","2","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0679","0.0589","","","0.1633","0.1712","","","","","","1.06","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024619","6.2808","0.0013","8.2425","0.001","11.701","0.002","90","","95.044","0.016","90","","603.39","0.18","210","2","210","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Br N O3 S -","- C10 H12 Br N O3 S -","- C20 H24 Br2 N2 O6 S2 -","2","1","","Ali Reza Modarresi-Alam; Homeyra Alsadat Amirazizi; Hajar Bagheri; Hamid-Reza Bijanzadeh; Erich Kleinpeter","Dynamic 1H NMR Spectroscopic Study of the Ring Inversion in N-Sulfonyl Morpholines-Studies on N-S Interactions","Journal of Organic Chemistry","2009","74","","4740","4746","10.1021/jo900454a","","","0.71073","MoKα","","0.0691","0.0669","","","0.1938","0.1963","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024620","8.068","0.002","18.294","0.003","8.815","0.002","90","","111.694","0.018","90","","1208.8","0.5","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C44 H60 N4 O12 S4 -","4","1","","Ali Reza Modarresi-Alam; Homeyra Alsadat Amirazizi; Hajar Bagheri; Hamid-Reza Bijanzadeh; Erich Kleinpeter","Dynamic 1H NMR Spectroscopic Study of the Ring Inversion in N-Sulfonyl Morpholines-Studies on N-S Interactions","Journal of Organic Chemistry","2009","74","","4740","4746","10.1021/jo900454a","","","0.71073","MoKα","","0.0441","0.0381","","","0.1043","0.1076","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024621","8.6771","0.0004","13.5424","0.0006","15.5225","0.0007","90","","90","","90","","1824.03","0.14","233","","233","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 O -","- C26 H18 O -","- C104 H72 O4 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0378","0.0345","","","0.0928","0.096","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024622","11.5872","0.0006","13.3959","0.0007","12.7941","0.0007","90","","103.744","0.001","90","","1929.05","0.18","233","","233","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O3 -","- C26 H17 N O3 -","- C104 H68 N4 O12 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0448","0.038","","","0.1055","0.1122","","","","","","1.052","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024623","9.8749","0.0012","15.454","0.002","12.2626","0.0016","90","","93.331","0.001","90","","1868.2","0.4","233","","233","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 S -","- C26 H18 S -","- C104 H72 S4 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0473","0.0384","","","0.1365","0.1477","","","","","","1.165","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024624","8.0498","0.0004","14.0184","0.0007","34.4239","0.0017","90","","90","","90","","3884.6","0.3","233","","233","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N O2 S -","- C26 H17 N O2 S -","- C208 H136 N8 O16 S8 -","8","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0509","0.0475","","","0.1379","0.1421","","","","","","1.111","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024625","8.8352","0.0004","13.4061","0.0007","15.7051","0.0008","90","","90","","90","","1860.2","0.16","233","","233","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0388","0.0353","","","0.1119","0.1175","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024626","14.447","0.003","9.549","0.002","12.138","0.003","90","","95.406","0.013","90","","1667.1","0.7","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C72 H112 O12 -","4","1","","Richard J. Duffy; Kay A. Morris; Ravikrishna Vallakati; Wei Zhang; Daniel Romo","Asymmetric Synthesis, Structure, and Reactivity of Unexpectedly Stable Spiroepoxy-β-Lactones Including Facile Conversion to Tetronic Acids: Application to (+)-Maculalactone A","Journal of Organic Chemistry","2009","74","","4772","4781","10.1021/jo900499e","","","1.54178","CuKα","","0.1106","0.0822","","","0.1805","0.1973","","","","","","1.034","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024627","7.0114","0.0008","7.4934","0.0007","34.767","0.003","90","","90","","90","","1826.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F3 O5 S -","- C19 H15 F3 O5 S -","- C76 H60 F12 O20 S4 -","4","1","","Richard J. Duffy; Kay A. Morris; Ravikrishna Vallakati; Wei Zhang; Daniel Romo","Asymmetric Synthesis, Structure, and Reactivity of Unexpectedly Stable Spiroepoxy-β-Lactones Including Facile Conversion to Tetronic Acids: Application to (+)-Maculalactone A","Journal of Organic Chemistry","2009","74","","4772","4781","10.1021/jo900499e","","","1.54178","CuKα","","0.0356","0.0313","","","0.0802","0.0847","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024628","15.4756","0.0015","10.1169","0.0011","10.6297","0.0011","90","","94.168","0.006","90","","1659.8","0.3","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C72 H112 O12 -","4","1","","Richard J. Duffy; Kay A. Morris; Ravikrishna Vallakati; Wei Zhang; Daniel Romo","Asymmetric Synthesis, Structure, and Reactivity of Unexpectedly Stable Spiroepoxy-β-Lactones Including Facile Conversion to Tetronic Acids: Application to (+)-Maculalactone A","Journal of Organic Chemistry","2009","74","","4772","4781","10.1021/jo900499e","","","1.54178","CuKα","","0.0884","0.0595","","","0.1339","0.1434","","","","","","1.04","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024629","10.9758","0.0004","12.2418","0.0004","14.2488","0.0005","95.135","0.002","106.852","0.002","113.93","0.002","1627.19","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N4 O7 -","- C36 H46 N4 O7 -","- C72 H92 N8 O14 -","2","1","","Nicolas Bernier; Sílvia Carvalho; Feng Li; Rita Delgado; Vítor Félix","Anion Recognition by a Macrobicycle Based on a Tetraoxadiaza Macrocycle and an Isophthalamide Head Unit","Journal of Organic Chemistry","2009","74","","4819","4827","10.1021/jo9005798","","","0.71073","MoKα","","0.0928","0.0475","","","0.1107","0.1356","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024630","18.008","0.002","11.96","0.001","7.8922","0.0007","90","","113.627","0.006","90","","1557.3","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","1","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71073","MoKα","","0.0493","0.0406","","","0.099","0.1051","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024631","8.5007","0.0015","5.7259","0.0009","15.333","0.002","90","0.005","96.413","0.009","90","0.005","741.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71069","MoKα","","0.0604","0.0397","","","0.09","0.1001","","","","","","1.025","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024632","7.9141","0.0009","7.0287","0.0009","22.219","0.003","90","","91.264","0.008","90","","1235.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 S2 -","- C30 H34 S2 -","- C60 H68 S4 -","2","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71073","MoKα","","0.0464","0.0371","","","0.0914","0.0964","","","","","","1.061","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024633","5.323","0.0008","6.751","0.001","25.114","0.004","90.265","0.008","93.18","0.008","97.862","0.008","892.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H58 S2 -","- C42 H58 S2 -","- C42 H58 S2 -","1","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71069","MoKα","","0.1539","0.0791","","","0.1871","0.2319","","","","","","1.073","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024634","20.836","0.003","7.2033","0.001","6.9755","0.001","90","","92.019","0.002","90","","1046.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 S2 -","- C30 H18 S2 -","- C60 H36 S4 -","2","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.7749","synchrotron","","0.0688","0.0441","","","0.1102","0.1256","","","","","","1.004","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024635","9.1796","0.0004","12.5028","0.0005","18.389","0.0008","90","","97.188","0.002","90","","2093.93","0.15","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 S2 -","- C30 H18 S2 -","- C120 H72 S8 -","4","1","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71073","MoKα","","0.0612","0.0396","","","0.0943","0.1049","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024636","12.2998","0.0007","13.2498","0.0007","22.1649","0.0012","80.07","0.004","87.587","0.004","89.341","0.004","3554.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H58 N8 O3 -","- C86 H58 N8 O3 -","- C172 H116 N16 O6 -","2","1","","Joshua Akhigbe; Claudia Ryppa; Matthias Zeller; Christian Brückner","Oxazolochlorins. 2. Intramolecular Cannizzaro Reaction of meso-Tetraphenylsecochlorin Bisaldehyde","Journal of Organic Chemistry","2009","74","","4927","4933","10.1021/jo9006046","","","0.71073","MoKα","","0.19","0.0893","","","0.1974","0.2289","","","","","","0.955","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024637","13.387","0.002","17.522","0.002","23.044","0.003","111.151","0.009","96.563","0.011","103.945","0.009","4770.2","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H106 N12 O14 -","- C96 H106 N12 O14 -","- C192 H212 N24 O28 -","2","1","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.7107","MoKα","","0.1603","0.1343","","","0.4111","0.4329","","","","","","1.585","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024638","13.257","0.003","18.769","0.004","19.131","0.004","117.56","0.03","91.6","0.03","103.68","0.03","4047.9","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H92 N12 O13 -","- C90 H90 N12 O13 -","- C180 H180 N24 O26 -","2","1","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.71073","MoKα","","0.2907","0.1666","","","0.3297","0.3913","","","","","","1.192","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024639","13.471","0.003","17.872","0.004","18.764","0.004","103.82","0.03","91.95","0.03","110.35","0.03","4079.2","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H93 N12 O13 -","- C91 H93 N12 O13 -","- C182 H186 N24 O26 -","2","1","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.71073","MoKα","","0.404","0.113","","","0.1551","0.2312","","","","","","1.008","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024640","20.318","0.004","18.965","0.004","18.194","0.004","90","","90.13","0.03","90","","7011","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H71 Cl10 F N8 O8 -","- C67 H71 Cl10 F N8 O8 -","- C268 H284 Cl40 F4 N32 O32 -","4","0.5","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.71073","MoKα","","0.0742","0.0632","","","0.1733","0.1832","","","","","","1.126","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024641","14.1007","0.0016","35.769","0.004","22.459","0.002","90","","118.483","0.003","90","","9956.5","1.9","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H103 F2 N12 O12 -","- C90 H88 F2 N12 O12 -","- C360 H352 F8 N48 O48 -","4","0.5","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.7107","MoKα","","0.0846","0.0699","","","0.1973","0.2117","","","","","","1.053","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024642","10.212","0.002","12.584","0.003","54.613","0.011","90","","93.265","0.003","90","","7007","3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Se2 -","- C27 H30 Se2 -","- C324 H360 Se24 -","12","3","","Lei Yu; Jundong Meng; Ling Xia; Rong Guo","Lewis Acid Catalyzed Reaction of Methylenecyclopropanes with 1,2-Diphenyldiselane or 1,2-Di-p-tolyldisulfane","Journal of Organic Chemistry","2009","74","","5087","5089","10.1021/jo9006514","","","0.71073","MoKα","","0.1539","0.1186","","","0.2138","0.2263","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024643","10.254","0.008","10.743","0.008","12.09","0.009","97.948","0.013","106.727","0.013","102.782","0.013","1214.5","1.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C32.5 H28.5 N -","- C32.5 H28.5 N -","- C65 H57 N2 -","2","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.1367","0.0721","","","0.2017","0.2436","","","","","","0.958","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024644","11.907","0.004","5.6848","0.0016","12.95","0.004","90","","92.517","0.005","90","","875.7","0.4","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N -","- C12 H11 N -","- C48 H44 N4 -","4","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.0611","0.0517","","","0.132","0.139","","","","","","1.072","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024645","9.466","0.004","13.596","0.005","19.082","0.007","102.001","0.007","98.593","0.007","100.478","0.007","2317","1.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N O Si -","- C24 H34 N O Si -","- C96 H136 N4 O4 Si4 -","4","2","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.2006","0.1078","","","0.2175","0.2396","","","","","","1.011","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024646","9.779","0.003","10.939","0.003","11.635","0.004","89.483","0.006","77.658","0.005","85.916","0.005","1212.8","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N2 O Si -","- C25 H34 N2 O Si -","- C50 H68 N4 O2 Si2 -","2","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.0572","0.0477","","","0.136","0.1444","","","","","","1.037","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024647","11.869","0.002","10.874","0.002","22.01","0.004","90","","93.52","0.03","90","","2835.2","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 N O Si2 -","- C27 H43 N O Si2 -","- C108 H172 N4 O4 Si8 -","4","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.1086","0.0738","","","0.1783","0.1939","","","","","","1.022","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024648","9.8894","0.0016","21.213","0.003","11.8512","0.0019","90","","93.758","0.003","90","","2480.9","0.7","123","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C112 H112 N32 -","8","2","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.118","0.0679","","","0.171","0.1985","","","","","","0.963","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024649","12.351","0.003","5.825","0.0012","15.939","0.003","90","","96.42","0.03","90","","1139.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 O3 -","- C13 H15 O3 -","- C52 H60 O12 -","4","1","","Tony V. Robinson; Daniel Sejer Pedersen; Dennis K. Taylor; Edward R. T. Tiekink","Dihydroxylation of 4-Substituted 1,2-Dioxines: A Concise Route to Branched Erythro Sugars","Journal of Organic Chemistry","2009","74","","5093","5096","10.1021/jo900669u","","","0.7107","MoKα","","0.05","0.048","","","0.128","0.13","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024650","8.1057","0.0016","10.616","0.002","10.188","0.002","90","","90.7","0.03","90","","876.6","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Tony V. Robinson; Daniel Sejer Pedersen; Dennis K. Taylor; Edward R. T. Tiekink","Dihydroxylation of 4-Substituted 1,2-Dioxines: A Concise Route to Branched Erythro Sugars","Journal of Organic Chemistry","2009","74","","5093","5096","10.1021/jo900669u","","","0.7107","MoKα","","0.06","0.053","","","0.127","0.134","","","","","","1.09","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024651","18.1073","0.0002","7.25478","0.00008","32.4017","0.0004","90","","94.475","0.0012","90","","4243.46","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 S -","- C14 H16 N O4 S -","- C168 H192 N12 O48 S12 -","12","6","","Alan Armstrong; Yunas Bhonoah; Andrew J. P. White","Constrained β-Proline Analogues in Organocatalytic Aldol Reactions: The Influence of Acid Geometry","Journal of Organic Chemistry","2009","74","","5041","5048","10.1021/jo900840v","","","1.54184","CuKα","","0.0541","0.0364","","","0.0748","0.0799","","","","","","0.932","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024652","17.092","0.003","10.0062","0.0013","15.548","0.002","90","","109.775","0.012","90","","2502.3","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C112 H104 N8 O32 -","8","1","","Yu Lan; Lujiang Deng; Jing Liu; Can Wang; Olaf Wiest; Zhen Yang; Yun-Dong Wu","On the Mechanism of the Palladium Catalyzed Intramolecular Pauson-Khand-Type Reaction","Journal of Organic Chemistry","2009","74","","5049","5058","10.1021/jo900919v","","","0.71073","MoKα","","0.1051","0.0627","","","0.12","0.1438","","","","","","1.059","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024653","9.8729","0.0015","9.9187","0.0014","18.54","0.003","82.15","0.006","79.402","0.006","80.603","0.006","1750","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C72 H84 N24 -","6","3","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71073","MoKα","","0.0671","0.0427","","","0.0977","0.1093","","","","","","1.019","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024654","24.358","0.002","6.0556","0.0004","7.4113","0.0004","90","","90","","90","","1093.18","0.13","173","2","173","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C21 H25 Cl2 N7 -","- C21 H25 Cl2 N7 -","- C42 H50 Cl4 N14 -","2","0.5","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71073","MoKα","","0.0454","0.0391","","","0.1011","0.1048","","","","","","1.041","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024655","33.59","0.003","5.3632","0.0005","16.252","0.002","90","","98.849","0.004","90","","2892.9","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C128 H104 N40 O16 -","8","1","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71069","MoKα","","0.0504","0.0356","","","0.0905","0.0972","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024656","17.797","0.003","7.943","0.001","14.246","0.002","90","","97.465","0.006","90","","1996.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B F2 N7 -","- C20 H22 B F2 N7 -","- C80 H88 B4 F8 N28 -","4","1","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71069","MoKα","","0.0709","0.0408","","","0.0976","0.1107","","","","","","1.042","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024657","9.1568","0.0007","19.9575","0.0016","9.6108","0.0007","90","","114.234","0.001","90","","1601.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 I O4 -","- C16 H17 I O4 -","- C64 H68 I4 O16 -","4","1","","Jie Chen; Shengming Ma","An X-(X = I, Br)-Triggered Ring-Opening Cyclization of Cyclopropenyl-Substituted Alkyl Halides or Mesylates: An Efficient and Highly Regio- and Stereoselective Approach to (E)-Haloalkylidene 4-7-Membered Cyclic Compounds","Journal of Organic Chemistry","2009","74","","5595","5598","10.1021/jo900389m","","","0.71073","MoKα","","0.0394","0.0332","","","0.0847","0.0878","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024658","8.2163","0.0009","13.1526","0.0015","12.5835","0.0014","90","","95.994","0.002","90","","1352.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 I O4 -","- C12 H17 I O4 -","- C48 H68 I4 O16 -","4","1","","Jie Chen; Shengming Ma","An X-(X = I, Br)-Triggered Ring-Opening Cyclization of Cyclopropenyl-Substituted Alkyl Halides or Mesylates: An Efficient and Highly Regio- and Stereoselective Approach to (E)-Haloalkylidene 4-7-Membered Cyclic Compounds","Journal of Organic Chemistry","2009","74","","5595","5598","10.1021/jo900389m","","","0.71073","MoKα","","0.046","0.0416","","","0.1048","0.1075","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024659","7.8758","0.0007","19.0832","0.0018","26.114","0.002","90","","93.238","0.002","90","","3918.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-bromoacrylic acid-PBP Ni(II)","","- C22 H15 Br N3 Ni O3.5 -","- C22 H15 Br N3 Ni O3.5 -","- C176 H120 Br8 N24 Ni8 O28 -","8","2","","Xiao Ding; Deju Ye; Fang Liu; Guanghui Deng; Guannan Liu; Xiaomin Luo; Hualiang Jiang; Hong Liu","Efficient Synthesis of α-Aryl-/Heteroaryl-Substituted β-Amino Acids via Ni(II) Complex through the Suzuki Coupling Reaction","Journal of Organic Chemistry","2009","74","","5656","5659","10.1021/jo900469d","","","0.71073","MoKα","","0.1162","0.0747","","","0.1601","0.1779","","","","","","1.065","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024660","5.903","0.0002","10.6258","0.0003","26.646","0.0007","90","","96.172","0.002","90","","1661.66","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Gil Fridkin; Nicolas Boutard; William D. Lubell","β,β-Disubstituted C- and N-Vinylindoles from One-Step Condensations of Aldehydes and Indole Derivatives","Journal of Organic Chemistry","2009","74","","5603","5606","10.1021/jo900526p","","","1.54178","CuKα","","0.0574","0.036","","","0.0771","0.0822","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024661","5.524","0.004","8.048","0.005","20.295","0.012","90","","97.18","0.014","90","","895.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H34 O4 -","- C17 H34 O4 -","- C34 H68 O8 -","2","1","","Marcelino Gutiérrez; Eric H. Andrianasolo; Won Kyo Shin; Douglas E. Goeger; Alexandre Yokochi; Jörg Schemies; Manfred Jung; Dennis France; Susan Cornell-Kennon; Eun Lee; William H. Gerwick","Structural and Synthetic Investigations of Tanikolide Dimer, a SIRT2 Selective Inhibitor, and Tanikolideseco-Acid from the Madagascar Marine Cyanobacterium Lyngbya majuscula","Journal of Organic Chemistry","2009","74","","5267","5275","10.1021/jo900578j","","","1.5418","CuKα","","0.0975","0.0882","","","0.2253","0.2358","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024662","6.8355","0.0005","11.3386","0.0008","14.1413","0.001","72.072","0.001","88.266","0.001","79.759","0.001","1025.84","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,3,6,8-tetrakis(tert-butyldimethylsilyl) naphtho[1,2-<i>c</i>:5,6-<i>c</i>]difuran","1,3,6,8-tetrakis(tert-butyldimethylsilyl) naphtho[1,2-<i>c</i>:5,6-<i>c</i>]difuran","","- C38 H64 O2 Si4 -","- C38 H64 O2 Si4 -","- C38 H64 O2 Si4 -","1","0.5","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0526","0.0391","","","0.0893","0.096","","","","","","1.024","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024663","11.799","0.004","12.598","0.004","33.55","0.01","90","","90","","90","","4987","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H74 N2 O6 Si4 -","- C48 H74 N2 O6 Si4 -","- C192 H296 N8 O24 Si16 -","4","1","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0506","0.0429","","","0.0967","0.101","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024664","8.0227","0.0011","11.0423","0.0014","15.171","0.002","94.253","0.002","90.449","0.002","104.816","0.002","1295.3","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H39 N O3 Si2 -","- C25 H39 N O3 Si2 -","- C50 H78 N2 O6 Si4 -","2","1","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0454","0.0401","","","0.1149","0.1234","","","","","","1.064","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024665","14.25","0.0016","7.8987","0.0009","16.1812","0.0018","90","","95.752","0.001","90","","1812.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3C-acrylate-tethered-cyclophane","","","- C23 H20 O6 -","- C23 H20 O6 -","- C92 H80 O24 -","4","1","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0983","0.058","","","0.1504","0.1766","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024666","6.86","0.005","7.634","0.005","16.845","0.005","81.178","0.005","86.386","0.005","79.835","0.005","857.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Br N O2 S -","- C18 H16 Br N O2 S -","- C36 H32 Br2 N2 O4 S2 -","2","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.1014","0.0746","","","0.2092","0.2787","","","","","","1.2","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024667","9.924","0.005","17.654","0.005","9.34","0.005","90","0.005","107.787","0.005","90","0.005","1558.1","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br F N O S -","- C17 H13 Br F N O S -","- C68 H52 Br4 F4 N4 O4 S4 -","4","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.0764","0.0443","","","0.0898","0.1408","","","","","","1.146","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024668","6.504","0.005","7.636","0.005","17.029","0.005","85.25","0.005","82.417","0.005","83.121","0.005","830.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br N O2 S2 -","- C16 H14 Br N O2 S2 -","- C32 H28 Br2 N2 O4 S4 -","2","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.0767","0.0521","","","0.1249","0.2","","","","","","1.244","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024669","25.912","0.005","6.972","0.005","19.546","0.005","90","0.005","127.953","0.005","90","0.005","2784","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Br F N2 S -","- C15 H10 Br F N2 S -","- C120 H80 Br8 F8 N16 S8 -","8","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.0764","0.0462","","","0.099","0.1318","","","","","","1.069","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024670","8.511","0.005","9.428","0.005","12.324","0.005","78.575","0.005","82.908","0.005","71.145","0.005","915.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br N2 O S -","- C20 H17 Br N2 O S -","- C40 H34 Br2 N4 O2 S2 -","2","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.1007","0.0627","","","0.1542","0.2189","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024671","11.606","0.006","10.041","0.005","19.245","0.007","90","","90","","90","","2242.7","1.8","150","2","150","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C64 H112 N16 O16 S8 -","8","1","","Vommina V. Sureshbabu; Shankar A. Naik; H. P. Hemantha; N. Narendra; Ushati Das; Tayur N. Guru Row","N-Urethane-Protected Amino Alkyl Isothiocyanates: Synthesis, Isolation, Characterization, and Application to the Synthesis of Thioureidopeptides","Journal of Organic Chemistry","2009","74","","5260","5266","10.1021/jo900675s","","x-ray","0.71073","MoKα","","0.0718","0.0569","","","0.1722","0.1857","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024672","9.2169","0.0009","12.9166","0.0013","13.6787","0.0013","90","","90","","90","","1628.5","0.3","150","2","150","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 S -","- C15 H20 N2 O2 S -","- C60 H80 N8 O8 S4 -","4","1","","Vommina V. Sureshbabu; Shankar A. Naik; H. P. Hemantha; N. Narendra; Ushati Das; Tayur N. Guru Row","N-Urethane-Protected Amino Alkyl Isothiocyanates: Synthesis, Isolation, Characterization, and Application to the Synthesis of Thioureidopeptides","Journal of Organic Chemistry","2009","74","","5260","5266","10.1021/jo900675s","","x-ray","0.71073","MoKα","","0.0577","0.0453","","","0.0997","0.1041","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024673","10.5739","0.0015","4.9342","0.0007","9.7643","0.0013","90","","100.17","0.04","90","","501.4","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6-trifluoropyridazin-3(2H)-one","","- C4 H F3 N2 O -","- C4 H F3 N2 O -","- C16 H4 F12 N8 O4 -","4","1","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.0614","0.0473","","","0.1314","0.1401","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024674","5.5843","0.0004","7.7332","0.0005","23.7937","0.0015","95.333","0.002","95.092","0.002","90.95","0.002","1018.71","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-(benzylamino)-5,6-difluoropyridazin-3(2H)-one","","- C11 H9 F2 N3 O -","- C11 H9 F2 N3 O -","- C44 H36 F8 N12 O4 -","4","2","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.078","0.0703","","","0.1719","0.1749","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024675","13.4744","0.0009","4.7342","0.0004","14.8788","0.0009","90","","96.41","0.02","90","","943.19","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(piperidino)-5,6-difluoropyridazin-3(2H)-one","","- C9 H11 F2 N3 O -","- C9 H11 F2 N3 O -","- C36 H44 F8 N12 O4 -","4","1","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.1026","0.057","","","0.1262","0.1546","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024676","15.0815","0.0004","24.6147","0.0006","5.0146","0.0001","90","","90","","90","","1861.55","0.08","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-(butylamino)-4,6-difluoropyridazin-3(2H)-one","","- C8 H11 F2 N3 O -","- C8 H11 F2 N3 O -","- C64 H88 F16 N24 O8 -","8","2","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.0509","0.038","","","0.0878","0.0935","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024677","7.9081","0.0011","9.3887","0.0011","10.1211","0.0018","101.189","0.01","112.835","0.01","102.974","0.01","640.96","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N5 O2 -","- C12 H19 N5 O2 -","- C24 H38 N10 O4 -","2","1","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.0664","0.058","","","0.1649","0.1733","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024678","13.4761","0.0009","11.2751","0.0007","14.8026","0.0008","90","","116.863","0.004","90","","2006.5","0.2","110","","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br N4 O -","- C24 H21 Br N4 O -","- C96 H84 Br4 N16 O4 -","4","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.7107","MoKα","","0.0607","0.0384","","","0.0884","0.1057","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024679","7.831","0.0003","16.8429","0.0007","25.4999","0.001","105.879","0.0017","91.7001","0.0017","97.8616","0.0016","3196.6","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N4 O -","- C40 H36 N4 O -","- C160 H144 N16 O4 -","4","2","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MolybdenumKα","","0.086","0.062","","0.074","","0.073","","","","","","2.23","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4024680","7.5931","0.0002","11.5663","0.0004","11.808","0.0004","100.717","0.0018","91.5492","0.0018","108.88","0.0018","959.87","0.05","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br2 N4 Zn -","- C22 H16 Br2 N4 Zn -","- C44 H32 Br4 N8 Zn2 -","2","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MoKα","","0.1011","0.0493","","","0.1138","0.1415","","","","","","1.05","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024681","8.4774","0.0004","9.5633","0.0004","17.0559","0.0007","82.9163","0.0019","76.5219","0.0018","87.362","0.0019","1334.19","0.1","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Br N4 Zn -","- C31 H27 Br N4 Zn -","- C62 H54 Br2 N8 Zn2 -","2","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MolybdenumKα","","0.085","0.054","","0.052","","0.052","","","","","","1.9","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4024682","13.0276","0.0004","29.0931","0.0008","12.4038","0.0004","90","","100.201","0.001","90","","4626.9","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N4 O Zn -","- C40 H36 N4 O Zn -","- C160 H144 N16 O4 Zn4 -","4","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MolybdenumKα","","0.075","0.054","","0.088","","0.062","","","","","","1.76","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4024683","8.7052","0.001","9.854","0.0012","18.635","0.002","99.85","0.002","97.48","0.002","104.845","0.002","1496.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 O6 S4 -","- C28 H30 O6 S4 -","- C56 H60 O12 S8 -","2","1","","Yu-Long Zhao; Li Chen; Shao-Chun Yang; Cui Tian; Qun Liu","A Synthetic Strategy for Polyfunctionalized Bicyclo[3.3.1]nonanes Based on a Tandem Three-Component [3 + 2] Cycloaddition of α-Cinnamoyl Ketene-S,S-acetals with Oxalyl Chloride","Journal of Organic Chemistry","2009","74","","5622","5625","10.1021/jo900764s","","","0.71073","MoKα","","0.0949","0.0627","","","0.1419","0.1648","","","","","","1.03","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024684","17.519","0.004","9.402","0.0019","20.893","0.004","90","","97.238","0.004","90","","3414","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O4 S4 -","- C34 H38 O4 S4 -","- C136 H152 O16 S16 -","4","1","","Yu-Long Zhao; Li Chen; Shao-Chun Yang; Cui Tian; Qun Liu","A Synthetic Strategy for Polyfunctionalized Bicyclo[3.3.1]nonanes Based on a Tandem Three-Component [3 + 2] Cycloaddition of α-Cinnamoyl Ketene-S,S-acetals with Oxalyl Chloride","Journal of Organic Chemistry","2009","74","","5622","5625","10.1021/jo900764s","","","0.71073","MoKα","","0.1583","0.1054","","","0.3049","0.3612","","","","","","1.027","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024685","8.8159","0.0018","10.764","0.002","22.427","0.005","90","","90","","90","","2128.1","0.8","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Douglass F. Taber; Peiming Gu; Rui Li","A Divergent Synthesis of the Δ13-9-Isofurans","Journal of Organic Chemistry","2009","74","","5516","5522","10.1021/jo900767x","","","0.71073","MoKα","","0.0596","0.0481","","","0.108","0.1148","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024686","15.9749","0.0002","16.4925","0.0003","27.4117","0.0006","81.5285","0.0007","82.2566","0.0007","89.0766","0.0014","7078.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl F3 N2 O2 -","- C18 H13.75 Cl F3 N2 O2 -","- C288 H220 Cl16 F48 N32 O32 -","16","8","","Yujie Zhao; Adelbert Bacher; Boris Illarionov; Markus Fischer; Gunda Georg; Qi-Zhuang Ye; Phillip E. Fanwick; Scott G. Franzblau; Baojie Wan; Mark Cushman","Discovery and Development of the Covalent Hydrates of Trifluoromethylated Pyrazoles as Riboflavin Synthase Inhibitors with Antibiotic Activity Against Mycobacterium tuberculosis","Journal of Organic Chemistry","2009","74","","5297","5303","10.1021/jo900768c","","","0.71073","MO-Kα","","0.113","0.075","","","0.123","0.136","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024687","13.0847","0.0002","8.9796","0.0001","15.6906","0.0003","90","","92.3403","0.0009","90","","1842.04","0.05","200","","200","","","","","","","","from UoW","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O3 Si -","- C18 H25 N O3 Si -","- C72 H100 N4 O12 Si4 -","4","1","","Jasmine C. Jury; Nalivela Kumara Swamy; Arife Yazici; Anthony C. Willis; Stephen G. Pyne","Metal-Catalyzed Cycloisomerization Reactions of cis-4-Hydroxy-5-alkynylpyrrolidinones and cis-5-Hydroxy-6-alkynylpiperidinones: Synthesis of Furo[3,2-b]pyrroles and Furo[3,2-b]pyridines","Journal of Organic Chemistry","2009","74","","5523","5527","10.1021/jo9007942","","","0.71073","MoKα","","0.0463","0.0337","","0.0937","0.0906","0.0937","","","","","","0.9169","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024688","5.886","0.002","12.116","0.005","23.233","0.005","90","","94.828","0.005","90","","1651","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","benzyl (S)-6-(((S)-2-oxooxazolidin-4-yl)methyl)-1,4,5,6- tetrahydropyrimidin-2-ylcarbamate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C64 H80 N16 O16 -","4","2","","Meryem Benohoud; Loïc Leman; Silvia H. Cardoso; Pascal Retailleau; Philippe Dauban; Josiane Thierry; Robert H. Dodd","Total Synthesis and Absolute Configuration of the Natural Amino Acid Tetrahydrolathyrine","Journal of Organic Chemistry","2009","74","","5331","5336","10.1021/jo900800x","","","0.71069","MoKα","","0.0944","0.0524","","","0.1161","0.1406","","","","","","1.077","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024689","8.7724","0.001","9.0521","0.001","15.5733","0.0017","85.833","0.002","81.05","0.002","74.247","0.002","1175.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C50 H64 O8 -","2","1","","Yebing Zhou; Jingjin Chen; Chunbin Zhao; Erjuan Wang; Yuanhong Liu; Yuxue Li","Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted Zirconacyclopentenes","Journal of Organic Chemistry","2009","74","","5326","5330","10.1021/jo900808k","","","0.71073","MoKα","","0.1391","0.0619","","","0.1309","0.1635","","","","","","0.873","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024690","16.892","0.003","5.298","0.0009","25.513","0.005","90","","108.086","0.004","90","","2170.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl O -","- C24 H29 Cl O -","- C96 H116 Cl4 O4 -","4","1","","Yebing Zhou; Jingjin Chen; Chunbin Zhao; Erjuan Wang; Yuanhong Liu; Yuxue Li","Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted Zirconacyclopentenes","Journal of Organic Chemistry","2009","74","","5326","5330","10.1021/jo900808k","","","0.71073","MoKα","","0.1583","0.0626","","","0.1343","0.164","","","","","","0.789","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024691","16.666","0.003","5.308","0.0008","24.818","0.004","90","","91.574","0.004","90","","2194.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cl O -","- C24 H29 Cl O -","- C96 H116 Cl4 O4 -","4","1","","Yebing Zhou; Jingjin Chen; Chunbin Zhao; Erjuan Wang; Yuanhong Liu; Yuxue Li","Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted Zirconacyclopentenes","Journal of Organic Chemistry","2009","74","","5326","5330","10.1021/jo900808k","","","0.71073","MoKα","","0.1613","0.0806","","","0.2062","0.2466","","","","","","0.921","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024692","7.5823","0.0007","8.0179","0.0007","28.521","0.003","90","","90","","90","","1733.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C72 H80 O28 -","4","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.0654","0.0513","","","0.1047","0.1111","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024693","8.8702","0.0011","5.7173","0.0007","17.763","0.002","90","","100.694","0.002","90","","885.17","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.049","0.0456","","","0.1018","0.1045","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024694","11.534","0.002","9.6312","0.0018","11.875","0.002","90","","118.994","0.003","90","","1153.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O8 -","- C22 H29 N O8 -","- C44 H58 N2 O16 -","2","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.069","0.0555","","","0.1131","0.1183","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024695","15.3","0.002","15.3","0.002","14.684","0.003","90","","90","","90","","3437.4","1","113","2","113","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C37 H49 N7 O8 -","- C37 H49 N7 O8 -","- C148 H196 N28 O32 -","4","0.25","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.0512","0.047","","","0.1156","0.119","","","","","","1.075","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024696","8.3972","0.0017","10.175","0.002","21.221","0.004","98.76","0.03","101.25","0.03","97.86","0.03","1731.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N6 -","- C22 H18 N6 -","- C88 H72 N24 -","4","2","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.0829","0.0627","","","0.1436","0.1529","","","","","","1.123","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024697","9.4503","0.0019","25.929","0.005","23.646","0.005","90","","96.66","0.03","90","","5755","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N6 O4 -","- C32 H34 N6 O4 -","- C256 H272 N48 O32 -","8","2","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.1167","0.0571","","","0.1195","0.1407","","","","","","0.945","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024698","9.391","0.0019","11.235","0.002","15.836","0.003","78.3","0.03","86.16","0.03","67.25","0.03","1508.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N7 O5 -","- C31 H35 N7 O5 -","- C62 H70 N14 O10 -","2","1","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.2779","0.14","","","0.1588","0.1929","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024699","8.654","0.003","9.142","0.003","13.383","0.004","89.696","0.003","71.752","0.003","65.373","0.003","904.4","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C48 H42 N2 O6 -","2","1","","Akio Saito; Jun Kasai; Yu Odaira; Haruhiko Fukaya; Yuji Hanzawa","Synthesis of 2,3-Dihydroquinolin-4(1H)-ones through Catalytic Metathesis of o-Alkynylanilines and Aldehydes","Journal of Organic Chemistry","2009","74","","5644","5647","10.1021/jo900857c","","","0.71073","MoKα","","0.0555","0.0474","","","0.1268","0.1336","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024700","17.2552","0.0015","6.9174","0.0006","17.6626","0.0016","90","","110.884","0.001","90","","1969.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br O4 P -","- C21 H20 Br O4 P -","- C84 H80 Br4 O16 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0707","0.0459","","","0.1169","0.1357","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024701","17.0547","0.0018","8.954","0.0009","12.7659","0.0013","90","","96.655","0.002","90","","1936.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br O4 P -","- C21 H20 Br O4 P -","- C84 H80 Br4 O16 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0465","0.0348","","","0.0884","0.1027","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024702","30.604","0.006","9.531","0.0019","11.84","0.002","90","","109.73","0.03","90","","3251","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 O5 P -","- C16 H21 O5 P -","- C128 H168 O40 P8 -","8","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0541","0.049","","","0.1393","0.1433","","","","","","1.036","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024703","20.99","0.004","7.0721","0.0014","10.64","0.002","90","","90","","90","","1579.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H19 O4 P -","- C16 H19 O4 P -","- C64 H76 O16 P4 -","4","0.5","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0542","0.0436","","","0.1133","0.1205","","","","","","1.081","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024704","21.347","0.002","21.347","0.002","7.5132","0.0016","90","","90","","90","","3423.6","0.9","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H20 Br O5 P -","- C16 H20 Br O5 P -","- C128 H160 Br8 O40 P8 -","8","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0511","0.0458","","","0.1168","0.1204","","","","","","1.055","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024705","17.335","0.003","7.6229","0.0012","13.737","0.002","90","","90","","90","","1815.3","0.5","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C88 H96 O16 -","8","2","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0708","0.0679","","","0.1567","0.1592","","","","","","1.242","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024706","19.371","0.005","6.0598","0.0014","14.782","0.003","90","","109.126","0.004","90","","1639.4","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br O4 P -","- C16 H18 Br O4 P -","- C64 H72 Br4 O16 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0845","0.0432","","","0.0928","0.1258","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024707","12.5236","0.0011","12.5105","0.0011","11.2515","0.001","90","","96.748","0.001","90","","1750.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 O5 P -","- C17 H23 O5 P -","- C68 H92 O20 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0574","0.047","","","0.122","0.1279","","","","","","1.062","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024708","13.137","0.003","6.3248","0.0016","24.567","0.006","90","","98.279","0.004","90","","2019.9","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 O5 P -","- C21 H23 O5 P -","- C84 H92 O20 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0824","0.0634","","","0.134","0.1429","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024709","20.479","0.004","14.045","0.003","5.5773","0.0011","90","","90","","90","","1604.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0819","0.0745","","","0.1416","0.1435","","","","","","1.43","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024710","8.06","0.002","8.128","0.002","20.018","0.006","89.896","0.004","81.309","0.004","73.202","0.004","1239.8","0.6","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H32 O4.5 Si -","- C25 H32 O4.5 Si -","- C50 H64 O9 Si2 -","2","2","","Lauren E. Brown; Yakira R. Landaverry; James R. Davies; Kristin A. Milinkevich; Sandra Ast; Joseph S. Carlson; Allen G. Oliver; Joseph P. Konopelski","Progress toward the Total Synthesis of Psymberin/Irciniastatin A","Journal of Organic Chemistry","2009","74","","5405","5410","10.1021/jo9009003","","","0.71073","MoKα","","0.087","0.054","","","0.1109","0.1268","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024711","14.13","0.003","10.583","0.002","21.383","0.004","90","","90.471","0.003","90","","3197.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl6 Cu N2 -","- C28 H40 Cl6 Cu N2 -","- C112 H160 Cl24 Cu4 N8 -","4","1","","Tamas Benkovics; Juana Du; Ilia A. Guzei; Tehshik P. Yoon","Anionic Halocuprate(II) Complexes as Catalysts for the Oxaziridine-Mediated Aminohydroxylation of Olefins","Journal of Organic Chemistry","2009","74","","5545","5552","10.1021/jo900902k","","","0.71073","Mo-Kα","","0.0976","0.0446","","","0.0994","0.1311","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024712","22.916","0.006","27.217","0.009","7.899","0.002","90","","90","","90","","4927","2","103","2","103","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C224 H224 N16 O40 S8 -","8","1","","Tamas Benkovics; Juana Du; Ilia A. Guzei; Tehshik P. Yoon","Anionic Halocuprate(II) Complexes as Catalysts for the Oxaziridine-Mediated Aminohydroxylation of Olefins","Journal of Organic Chemistry","2009","74","","5545","5552","10.1021/jo900902k","","","1.54184","Cu-Kα","","0.0401","0.0346","","","0.087","0.0904","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024713","9.4899","0.0005","10.8273","0.0006","16.5506","0.0009","90","","90","","90","","1700.57","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O2 -","- C20 H20 Cl N O2 -","- C80 H80 Cl4 N4 O8 -","4","1","","Hua Yang; Rich G. Carter","Asymmetric Construction of Nitrogen-Containing [2.2.2] Bicyclic Scaffolds Using N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide","Journal of Organic Chemistry","2009","74","","5151","5156","10.1021/jo9009062","","","0.71073","MoKα","","0.036","0.0333","","","0.0841","0.0866","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024714","11.8419","0.0009","7.8205","0.0006","18.3084","0.0014","90","","106.677","0.001","90","","1624.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C76 H96 Cl4 N4 O4 -","4","2","","Hua Yang; Rich G. Carter","Asymmetric Construction of Nitrogen-Containing [2.2.2] Bicyclic Scaffolds Using N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide","Journal of Organic Chemistry","2009","74","","5151","5156","10.1021/jo9009062","","","0.71073","MoKα","","0.0298","0.0288","","","0.0736","0.0746","","","","","","1.045","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024715","11.7327","","13.6679","0.0006","28.761","0.002","90","","90","","90","","4612.2","0.4","200","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 F3 N5 O3 S -","- C20 H26 F3 N5 O3 S -","- C160 H208 F24 N40 O24 S8 -","8","1","","Horacio Comas; Gérald Bernardinelli; Dominique Swinnen","A Straightforward, One-Pot Protocol for the Synthesis of Fused 3-Aminotriazoles","Journal of Organic Chemistry","2009","74","","5553","5558","10.1021/jo9009084","","","0.71073","MoKα","","","0.046","","","","0.042","","","","","","1.38","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024716","12.99","0.02","11.142","0.017","22.53","0.03","90","","97.03","0.02","90","","3235","9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Al N O5 -","- C35 H38 Al N O5 -","- C140 H152 Al4 N4 O20 -","4","1","","Steven M. Raders; John G. Verkade","Catalysis of Mukaiyama Aldol Reactions by a Tricyclic Aluminum Alkoxide Lewis Acid","Journal of Organic Chemistry","2009","74","","5417","5428","10.1021/jo9009134","","","0.71073","MoKα","","0.0914","0.06","","","0.1671","0.1953","","","","","","1.05","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024717","11.159","0.004","15.333","0.006","21.909","0.008","80.131","0.006","89.476","0.007","85.057","0.007","3679","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H53 Al N O4 P -","- C40 H53 Al N O4 P -","- C160 H212 Al4 N4 O16 P4 -","4","2","","Steven M. Raders; John G. Verkade","Catalysis of Mukaiyama Aldol Reactions by a Tricyclic Aluminum Alkoxide Lewis Acid","Journal of Organic Chemistry","2009","74","","5417","5428","10.1021/jo9009134","","","0.71073","MoKα","","0.137","0.0753","","","0.1822","0.2244","","","","","","1.027","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024718","7.809","0.0005","21.1057","0.0012","12.498","0.0007","90","","102.649","0.001","90","","2009.9","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 Si -","- C22 H22 O3 Si -","- C88 H88 O12 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0759","0.0641","","","0.1291","0.1326","","","","","","1.274","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024719","9.1222","0.0005","14.0046","0.0008","16.0182","0.0009","90","","90","","90","","2046.4","0.2","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O4 Si -","- C23 H28 O4 Si -","- C92 H112 O16 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0432","0.0393","","","0.0669","0.0674","","","","","","1.664","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024720","7.6476","0.0004","14.7947","0.0008","19.1298","0.0011","90","","97.29","0.001","90","","2146.9","0.2","180","1","180","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 O6 Si -","- C23 H30 O6 Si -","- C92 H120 O24 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0492","0.0425","","","0.1007","0.1018","","","","","","1.972","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024721","17.0031","0.0005","10.8154","0.0003","12.0798","0.0004","90","","122.394","0.002","90","","1875.73","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H24 O5 Si -","- C22 H24 O5 Si -","- C88 H96 O20 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0356","0.0346","","","0.0717","0.072","","","","","","1.468","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024722","13.0556","0.0008","17.6768","0.001","29.0774","0.0017","90","","94.934","0.001","90","","6685.7","0.7","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26.5 H30 Cl3 N2 O10 Os -","- C26.5 H30 Cl3 N2 O10 Os -","- C212 H240 Cl24 N16 O80 Os8 -","8","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0725","0.0508","","","0.1226","0.1259","","","","","","1.503","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024723","21.5067","0.0017","16.3341","0.0013","26.994","0.002","90","","90","","90","","9482.9","1.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H46 N4 O15 Os2 -","- C43 H46 N4 O15 Os2 -","- C344 H368 N32 O120 Os16 -","8","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.1109","0.0691","","","0.1116","0.1178","","","","","","1.289","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024724","9.005","0.003","11.524","0.004","13.821","0.004","90.433","0.006","95.747","0.006","98.889","0.005","1409.6","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl2 N2 O8 Os -","- C30 H22 Cl2 N2 O9 Os -","- C60 H44 Cl4 N4 O18 Os2 -","2","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.1029","0.0791","","","0.154","0.1592","","","","","","1.489","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024725","7.7207","0.0018","9.454","0.002","10.226","0.002","105.303","0.006","92.306","0.006","101.349","0.005","702.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H12 O5 -","- C19 H12 O5 -","- C38 H24 O10 -","2","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0926","0.0583","","","0.0683","0.0719","","","","","","1.39","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024726","5.9142","0.0012","16.624","0.003","18.475","0.004","90","","90","","90","","1816.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N O7 S -","- C15 H25 N O7 S -","- C60 H100 N4 O28 S4 -","4","1","","Chun-Ling Gu; Li Liu; Dong Wang; Yong-Jun Chen","Tunable and Highly Regio- and Diastereoselective Vinylogous Mannich-Type Reaction of Dioxinone-Derived Silyl Dienolate","Journal of Organic Chemistry","2009","74","","5754","5757","10.1021/jo900977y","","","0.71073","MoKα","","0.0634","0.0518","","","0.1529","0.1909","","","","","","1.246","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024727","12.3355","0.0002","16.4408","0.0002","27.3926","0.0004","90","","90","","90","","5555.37","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H67 Cl2 N2 O11 P -","- C62 H67 Cl2 N2 O11 P -","- C248 H268 Cl8 N8 O44 P4 -","4","1","","Prasad L. Polavarapu; Ana G. Petrovic; Sarah E. Vick; William D. Wulff; Hong Ren; Zhensheng Ding; Richard J. Staples","Absolute Configuration of 3,3'-Diphenyl-[2,2'-binaphthalene]-1,1'-diol Revisited","Journal of Organic Chemistry","2009","74","","5451","5457","10.1021/jo901013z","","x-ray","1.54178","CuKα","","0.0848","0.0701","","","0.1803","0.1918","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024728","10.0581","0.0003","10.0142","0.0002","16.9881","0.0004","90","","102.356","0.003","90","","1671.47","0.07","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 B F2 N2 -","- C9 H7 B F2 N2 -","- C72 H56 B8 F16 N16 -","8","1","","Ismael J. Arroyo; Rongrong Hu; Gabriel Merino; Ben Zhong Tang; Eduardo Peña-Cabrera","The Smallest and One of the Brightest. Efficient Preparation and Optical Description of the Parent Borondipyrromethene System","Journal of Organic Chemistry","2009","74","","5719","5722","10.1021/jo901014w","","","1.54178","CuKα","","0.0329","0.0309","","","0.1066","0.1101","","","","","","0.99","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024729","12.597","0.0005","7.0432","0.0003","14.9624","0.0006","90","","110.415","0.001","90","","1244.13","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0693","0.0409","","","0.071","0.0809","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024730","18.7017","0.0009","5.9044","0.0003","9.0335","0.0005","90","","95.768","0.001","90","","992.45","0.09","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0354","0.0318","","","0.0815","0.0838","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024731","8.7131","0.001","8.9587","0.0011","12.5043","0.0015","90","","90","","90","","976.1","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0633","0.0547","","","0.1469","0.1567","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024732","20.7647","0.0012","9.8833","0.0006","17.6665","0.001","90","","108.686","0.001","90","","3434.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl F17 N2 O6 -","- C30 H26 Cl F17 N2 O6 -","- C120 H104 Cl4 F68 N8 O24 -","4","1","","Krishnan Damodaran; Simon D. Nielsen; Steven J. Geib; Wei Zhang; Yimin Lu; Dennis P. Curran","Aryl-Csp3 Bond Rotation Barriers of 2-Aryl Perhydropyrrolo[3,4-c]pyrrole-1,3-diones","Journal of Organic Chemistry","2009","74","","5481","5485","10.1021/jo901123c","","","0.71073","MoKα","","0.1256","0.0643","","","0.163","0.1825","","","","","","0.973","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024733","10.4794","0.0011","10.5119","0.0012","11.4317","0.0012","92.03","0.002","106.955","0.002","114.73","0.002","1076","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N3 O5 -","- C23 H29 N3 O5 -","- C46 H58 N6 O10 -","2","1","","Krishnan Damodaran; Simon D. Nielsen; Steven J. Geib; Wei Zhang; Yimin Lu; Dennis P. Curran","Aryl-Csp3 Bond Rotation Barriers of 2-Aryl Perhydropyrrolo[3,4-c]pyrrole-1,3-diones","Journal of Organic Chemistry","2009","74","","5481","5485","10.1021/jo901123c","","","0.71073","MoKα","","0.099","0.0552","","","0.1239","0.143","","","","","","0.885","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024734","8.2236","0.0007","20.444","0.003","38.045","0.005","90","","90","","90","","6396.3","1.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N O3 S Sn -","- C31 H50 N O3 S Sn -","- C248 H400 N8 O24 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.155","0.0982","","","0.1648","0.1802","","","","2.1","2.1","1.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024735","7.8641","0.0007","20.288","0.002","38.732","0.003","90","","90","","90","","6179.6","1","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 N O3 S Sn -","- C30 H47 N O3 S Sn -","- C240 H376 N8 O24 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.046","0.0361","","","0.0847","0.09","","","","1.39","1.39","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024736","7.5154","0.0012","15.5547","0.0017","49.389","0.005","90","","90","","90","","5773.6","1.3","100","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N2 O5 S Sn -","- C27 H40 N2 O5 S Sn -","- C216 H320 N16 O40 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.0517","0.0435","","","0.1083","0.114","","","","1.89","1.89","1.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024737","15.4125","0.0018","8.1024","0.0006","24.215","0.002","90","","90.175","0.011","90","","3023.9","0.5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H51 N O3 S Sn -","- C28 H51 N O3 S Sn -","- C112 H204 N4 O12 S4 Sn4 -","4","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.0583","0.0449","","","0.0947","0.1015","","","","1.31","1.31","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024738","10.5722","0.0003","20.8611","0.0006","21.2475","0.0005","90","","90","","90","","4686.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C180 H264 N24 O24 -","12","3","","Andrei V. Malkov; Kvetoslava Vranková; Sigitas Stončius; Pavel Kočovský","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations","Journal of Organic Chemistry","2009","74","","5839","5849","10.1021/jo900561h","","","0.71073","MoKα","","0.0907","0.0735","","0.1953","0.1865","0.1953","","","","","","0.9865","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024739","12.1625","0.0006","9.7135","0.0005","14.2905","0.0006","90","","109.154","0.003","90","","1594.82","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","","Andrei V. Malkov; Kvetoslava Vranková; Sigitas Stončius; Pavel Kočovský","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations","Journal of Organic Chemistry","2009","74","","5839","5849","10.1021/jo900561h","","","0.71073","MoKα","","0.0724","0.0429","","0.1135","0.1061","0.1135","","","","","","0.8266","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024740","5.9212","0.0008","9.7223","0.0013","14.6666","0.0019","96.694","0.002","97.449","0.002","100.456","0.002","814.75","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C38 H26 Cl2 N4 O4 -","2","1","","Xiang-Ying Tang; Min Shi","An Efficient Route to 2-Substituted N-(1-Amino-3-methylpyrrol)amides by Ring-Opening Cyclization of Benzylidene- and Alkylidenecyclopropylcarbaldehydes with Hydrazides","Journal of Organic Chemistry","2009","74","","5983","5986","10.1021/jo900730t","","","0.71073","MoKα","","0.063","0.0576","","","0.1525","0.1575","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024741","10.4164","0.0003","17.5391","0.0005","21.0938","0.0006","90","","90","","90","","3853.72","0.19","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C160 H200 N8 O48 -","8","2","","O. Andrea Wong; Bin Wang; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation Catalyzed by α,α-Dimethylmorpholinone Ketone. Methyl Group Effect on Spiro and Planar Transition States","Journal of Organic Chemistry","2009","74","","6335","6338","10.1021/jo900739q","","","0.71073","MoKα","","0.0936","0.0529","","","0.1397","0.1812","","","","","","0.752","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024742","10.597","0.0004","11.468","0.0005","13.469","0.0007","101.774","0.0018","101.791","0.0016","97.419","0.0019","1543.47","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 N8 O2 -","- C34 H34 N8 O2 -","- C68 H68 N16 O4 -","2","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.0851","0.0524","","","0.1257","0.1432","","","","","","0.992","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024743","12.199","0.003","11.393","0.005","21.935","0.005","90","","90.77","0.03","90","","3048.3","1.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 N8 O2 -","- C34 H46 N8 O2 -","- C136 H184 N32 O8 -","4","0.5","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.121","0.0851","","","0.2071","0.2205","","","","","","1.012","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024744","9.857","0.0014","10.348","0.0013","14.654","0.002","83.814","0.004","84.734","0.004","77.178","0.006","1445.4","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Br4 N10 O8 Si2 -","- C52 H62 Br4 N10 O8 Si2 -","- C52 H62 Br4 N10 O8 Si2 -","1","0.5","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.1087","0.0617","","","0.1517","0.1784","","","","","","1.058","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024745","27.784","0.0018","27.784","0.0018","21.975","0.0013","90","","90","","90","","16963.6","1.9","293","2","295","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C38 H30 Br4 N10 O4 -","- C38 H30 Br4 N10 O4 -","- C608 H480 Br64 N160 O64 -","16","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.1336","0.0899","","","0.2017","0.2214","","","","","","1.062","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024746","14.476","0.012","14.203","0.012","14.986","0.013","90","","113.122","0.037","90","","2833.7","4.2","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H28 Br2 N5 O3 Si -","- C25 H28 Br2 N5 O3 Si -","- C100 H112 Br8 N20 O12 Si4 -","4","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71069","MoKα","","0.1206","0.0728","","","0.2129","0.2384","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024747","10.888","0.005","15.141","0.005","19.004","0.005","77.543","0.005","89.825","0.005","73.373","0.005","2925.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H59 Br4 N10 O6 Si2 -","- C50 H59 Br4 N10 O6 Si2 -","- C100 H118 Br8 N20 O12 Si4 -","2","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71069","MoKα","","0.0783","0.063","","","0.1724","0.2314","","","","","","1.016","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024748","7.2254","0.0009","12.6313","0.0015","15.299","0.002","90","","90","","90","","1396.2","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O S2 -","- C15 H20 O S2 -","- C60 H80 O4 S8 -","4","1","","Amos B. Smith; Megan A. Foley; Shuzhi Dong; Alia Orbin","(+)-Rimocidin Synthetic Studies: Construction of the C(1-27) Aglycone Skeleton","Journal of Organic Chemistry","2009","74","","5987","6001","10.1021/jo900765p","","","0.71069","MoKα","","0.0206","0.02","","","0.0547","0.0549","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024749","10.8151","0.0012","7.9505","0.0009","12.6843","0.0015","90","","97.33","0.003","90","","1081.8","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C48 H60 O12 -","2","1","","Amos B. Smith; Megan A. Foley; Shuzhi Dong; Alia Orbin","(+)-Rimocidin Synthetic Studies: Construction of the C(1-27) Aglycone Skeleton","Journal of Organic Chemistry","2009","74","","5987","6001","10.1021/jo900765p","","","0.71073","MoKα","","0.0303","0.0297","","","0.0768","0.0775","","","","","","1.052","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024750","7.9934","0.0004","24.0601","0.0012","9.2979","0.0004","90","","104.041","0.003","90","","1734.76","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O -","- C21 H18 F N O -","- C84 H72 F4 N4 O4 -","4","1","","Srinivasa Reddy Mothe; Philip Wai Hong Chan","Highly Efficient Synthesis of Tri- and Tetrasubstituted Conjugated Enynes from Brønsted Acid Catalyzed Alkoxylation of 1-Cyclopropylprop-2-yn-1-ols with Alcohols","Journal of Organic Chemistry","2009","74","","5887","5893","10.1021/jo9008244","","","0.71073","MoKα","","0.0989","0.05","","","0.1237","0.1689","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024751","34.5631","0.0007","34.5631","0.0007","10.203","0.0002","90","","90","","120","","10555.6","0.4","93.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H25 N O10 S -","- C22 H25 N O10 S -","- C396 H450 N18 O180 S18 -","18","1","","Yuki Yoshida; Kunihiko Mohri; Kimiaki Isobe; Toshimasa Itoh; Keiko Yamamoto","Biomimetic Total Synthesis of (\±)-8-Oxoerymelanthine","Journal of Organic Chemistry","2009","74","","6010","6015","10.1021/jo9008645","","","1.54187","CuKα","","","0.056","","","","0.1485","","","","","","0.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024752","7.228","0.0006","10.5893","0.0008","17.5653","0.0012","90","","92.462","0.003","90","","1343.2","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F2 N2 O2 -","- C13 H16 F2 N2 O2 -","- C52 H64 F8 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.0836","0.0475","","","0.1164","0.1388","","","","","","1.015","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024753","14.867","0.005","9.84","0.003","9.475","0.003","90","","95.475","0.01","90","","1379.7","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl F N2 O2 -","- C13 H16 Cl F N2 O2 -","- C52 H64 Cl4 F4 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.0821","0.0689","","","0.1783","0.1802","","","","","","1.058","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024754","7.9275","0.0002","10.4132","0.0003","17.3411","0.0004","90","","90.208","0.001","90","","1431.51","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl F2 N2 O2 -","- C13 H15 Cl F2 N2 O2 -","- C52 H60 Cl4 F8 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.0553","0.0508","","","0.1385","0.1414","","","","","","1.091","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024755","8.0746","0.0002","10.6307","0.0003","17.2901","0.0005","90","","93.471","0.001","90","","1481.44","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 F N2 O2 -","- C13 H15 Cl2 F N2 O2 -","- C52 H60 Cl8 F4 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.071","0.0601","","","0.1708","0.1805","","","","","","1.114","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024756","11.5227","0.0015","14.0439","0.0016","11.1407","0.0014","90","","118.808","0.009","90","","1579.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3H-dibenzo[de,h]isoquinolin-3,7(2H)-dione","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Sergei F. Vasilevsky; Denis S. Baranov; Victor I. Mamatyuk; Yury V. Gatilov; Igor V. Alabugin","An Unexpected Rearrangement That Disassembles Alkyne Moiety Through Formal Nitrogen Atom Insertion between Two Acetylenic Carbons and Related Cascade Transformations: New Approach toSampangineDerivatives and Polycyclic Aromatic Amides","Journal of Organic Chemistry","2009","74","","6143","6150","10.1021/jo9008904","","","0.71073","MoKα","","0.0962","0.0508","","","0.1136","0.1328","","","","","","1.035","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024757","12.8641","0.0004","12.2243","0.0004","12.2883","0.0004","90","","92.66","0.002","90","","1930.31","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0604","0.0432","","","0.1242","0.1446","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024758","7.9822","0.0002","9.4838","0.0003","13.0884","0.0004","99.166","0.001","105.255","0.002","91.979","0.001","940.65","0.05","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C46 H42 N2 O4 S2 -","2","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0531","0.0404","","","0.1176","0.1309","","","","","","1.078","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024759","11.1459","0.0005","8.8607","0.0004","19.6255","0.0008","90","","98.572","0.003","90","","1916.57","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0811","0.054","","","0.1617","0.2094","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024760","9.5697","0.0002","19.8028","0.0005","10.3326","0.0002","90","","92.552","0.002","90","","1956.16","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0538","0.0388","","","0.107","0.1318","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024761","16.0987","0.0006","11.7489","0.0005","8.6722","0.0003","90","","90","","90","","1640.28","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0464","0.0369","","","0.0969","0.1087","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024762","8.718","0.003","8.606","0.008","14.015","0.005","90","","93.38","0.03","90","","1049.6","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 Cl N2 O3 S -","- C23 H21 Cl N2 O3 S -","- C46 H42 Cl2 N4 O6 S2 -","2","1","","David Gagnon; Claude Spino","Stereoselective Synthesis of (+)-Aspidofractinine","Journal of Organic Chemistry","2009","74","","6035","6041","10.1021/jo9009497","","","1.54176","CuKα","","0.07","0.0502","","","0.1278","0.1411","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024763","12.8067","0.0012","14.7475","0.0013","16.7683","0.0015","90","","90","","90","","3167","0.5","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N4 -","- C15 H22 N4 -","- C120 H176 N32 -","8","2","","Diana Almaşi; Diego A. Alonso; Enrique Gómez-Bengoa; Carmen Nájera","Chiral 2-Aminobenzimidazoles as Recoverable Organocatalysts for the Addition of 1,3-Dicarbonyl Compounds to Nitroalkenes","Journal of Organic Chemistry","2009","74","","6163","6168","10.1021/jo9010552","","","0.71073","MoKα","","0.0787","0.0492","","","0.1109","0.1242","","","","","","1.099","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024764","5.673","0.003","14.165","0.008","20.076","0.011","90","","90","","90","","1613.1","1.5","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Diana Almaşi; Diego A. Alonso; Enrique Gómez-Bengoa; Carmen Nájera","Chiral 2-Aminobenzimidazoles as Recoverable Organocatalysts for the Addition of 1,3-Dicarbonyl Compounds to Nitroalkenes","Journal of Organic Chemistry","2009","74","","6163","6168","10.1021/jo9010552","","","0.71073","MoKα","","0.1668","0.0661","","","0.1207","0.1626","","","","","","1.01","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024765","6.6506","0.0006","14.5039","0.0014","14.9477","0.0012","90","","97.781","0.003","90","","1428.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.0657","0.0467","","","0.1058","0.1149","","","","","","1.086","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024766","8.9036","0.0003","12.6996","0.0004","21.5174","0.0008","90","","90","","90","","2433.02","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O6 -","- C25 H36 N2 O6 -","- C100 H144 N8 O24 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.052","0.0403","","","0.0952","0.101","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024767","11.4809","0.0003","15.1215","0.0004","16.5157","0.0004","89.189","0.002","89.323","0.001","78.029","0.001","2804.51","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N2 O5 -","- C31 H28 Cl2 N2 O5 -","- C124 H112 Cl8 N8 O20 -","4","2","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.0859","0.06","","","0.1536","0.1687","","","","","","1.049","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024768","7.5607","0.0003","10.2164","0.0005","17.0611","0.0008","90","","90","","90","","1317.85","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.0314","0.0296","","","0.0786","0.0799","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024769","9.9135","0.0004","17.8587","0.0007","11.2096","0.0005","90","","95.438","0.002","90","","1975.64","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.038","0.0277","","","0.0688","0.0723","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024770","9.624","0.0002","9.9066","0.0002","10.264","0.0002","63.082","0.001","74.631","0.001","82.194","0.001","841.25","0.03","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl3 N O3 -","- C16 H12 Cl3 N O3 -","- C32 H24 Cl6 N2 O6 -","2","1","","Guangrong Zheng; Linda P. Dwoskin; Agripina G. Deaciuc; Peter A. Crooks","Stereocontrolled Synthesis and Pharmacological Evaluation of cis-2,6-Diphenethyl-1-azabicyclo[2.2.2]octanes as Lobelane Analogues","Journal of Organic Chemistry","2009","74","","6072","6076","10.1021/jo901082r","","","0.71073","MoKα","","0.0549","0.0411","","","0.0996","0.1068","","","","","","1.487","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024771","9.9736","0.0001","11.1618","0.0002","11.5289","0.0002","82.045","0.0007","88.7559","0.0007","66.1562","0.0007","1161.77","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl3 N O3 -","- C24 H26 Cl3 N O3 -","- C48 H52 Cl6 N2 O6 -","2","1","","Guangrong Zheng; Linda P. Dwoskin; Agripina G. Deaciuc; Peter A. Crooks","Stereocontrolled Synthesis and Pharmacological Evaluation of cis-2,6-Diphenethyl-1-azabicyclo[2.2.2]octanes as Lobelane Analogues","Journal of Organic Chemistry","2009","74","","6072","6076","10.1021/jo901082r","","","0.71073","MoKα","","0.0513","0.0361","","","0.0867","0.094","","","","","","1.062","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024772","12.2188","0.0006","11.5364","0.0006","12.5909","0.0007","90","","107.823","0.001","90","","1689.6","0.2","93.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H27 N3 -","- C19 H27 N3 -","- C76 H108 N12 -","4","1","","Yusuke Ohta; Yushi Kubota; Tsuyoshi Watabe; Hiroaki Chiba; Shinya Oishi; Nobutaka Fujii; Hiroaki Ohno","Rapid Access to 3-(Aminomethyl)isoquinoline-Fused Polycyclic Compounds by Copper-Catalyzed Four-Component Coupling, Cascade Cyclization, and Oxidation","Journal of Organic Chemistry","2009","74","","6299","6302","10.1021/jo901090u","","","0.7107","MoKα","","","0.042","","","","0.084","","","","","","1.788","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024773","11.9709","0.0017","5.9426","0.0008","13.4008","0.0019","90","","104.757","0.003","90","","921.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C50 H42 N2 O8 -","2","1","","Chunyong Ding; Shanghui Tu; Fuying Li; Yuanxiang Wang; Qizheng Yao; Wenxiang Hu; Hua Xie; Linghua Meng; Ao Zhang","Synthesis Study on Marmycin A: Preparation of the C3'-Desmethyl Analogues","Journal of Organic Chemistry","2009","74","","6111","6119","10.1021/jo9011078","","","0.71073","MoKα","","0.0445","0.0387","","","0.0864","0.0888","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024774","18.73","0.003","9.237","0.0013","25.6","0.004","90","","110.787","0.002","90","","4140.7","1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O6 -","- C25 H22 N O6 -","- C200 H176 N8 O48 -","8","2","","Chunyong Ding; Shanghui Tu; Fuying Li; Yuanxiang Wang; Qizheng Yao; Wenxiang Hu; Hua Xie; Linghua Meng; Ao Zhang","Synthesis Study on Marmycin A: Preparation of the C3'-Desmethyl Analogues","Journal of Organic Chemistry","2009","74","","6111","6119","10.1021/jo9011078","","","0.71073","MoKα","","0.1741","0.1104","","","0.222","0.2538","","","","","","1.115","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024775","7.501","0.0001","14.6602","0.0003","21.9638","0.0005","90","","96.394","0.001","90","","2400.25","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[rel-(3aR,9bS,10R,14S)-2,3,3a,6,7,8,9,9b,11,12,13,14-Dodecahydro-2,12-diethyl-1,3,11,13-tetraoxo-10H-4,9a[3',4']-endo-pyrrolo-9aH-benz[e]isoindol-4(1H)-yl]benzamide","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C108 H116 N12 O20 -","4","1","","Krištof Kranjc; Franc Perdih; Marijan Kočevar","Effect of Ring Size on the Exo/Endo Selectivity of a Thermal Double Cycloaddition of Fused Pyran-2-ones","Journal of Organic Chemistry","2009","74","","6303","6306","10.1021/jo9011199","","","0.71073","MoKα","","0.0886","0.0545","","","0.137","0.1563","","","","","","1.049","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024776","9.4804","0.0007","15.2981","0.0011","11.7776","0.0008","90","","93.085","0.001","90","","1705.7","0.2","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Chan Pil Park; Advait Nagle; Cheol Hwan Yoon; Chiliu Chen; Kyung Woon Jung","Formal Aromatic C-H Insertion for Stereoselective Isoquinolinone Synthesis and Studies on Mechanistic Insights into the C-C Bond Formation","Journal of Organic Chemistry","2009","74","","6231","6236","10.1021/jo9011255","","","0.71073","MoKα","","0.0381","0.0359","","","0.099","0.1012","","","","","","1.047","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024777","7.3048","0.0006","8.26","0.0006","9.2431","0.0008","90","","92.177","0.004","90","","557.3","0.08","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br N2 O -","- C11 H13 Br N2 O -","- C22 H26 Br2 N4 O2 -","2","1","","Dong-Hui Leng; De-Xiang Wang; Jie Pan; Zhi-Tang Huang; Mei-Xiang Wang","Highly Efficient and Enantioselective Biotransformations of Racemic Azetidine-2-carbonitriles and Their Synthetic Applications","Journal of Organic Chemistry","2009","74","","6077","6082","10.1021/jo9011656","","","0.7107","MoKα","","0.0471","0.0326","","","0.0432","0.0467","","","","","","0.928","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024778","9.6718","0.0003","10.2182","0.0003","19.3697","0.0007","99.513","0.002","94.431","0.002","116.986","0.002","1656.95","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 Cl3 I -","- C39 H36 Cl3 I -","- C78 H72 Cl6 I2 -","2","1","","Anupam Mukherjee; Kamalkishore Pati; Rai-Shung Liu","A Convenient Synthesis of Tetrabenzo[de,hi,mn,qr]naphthacene from Readily Available 1,2-Di(phenanthren-4-yl)ethyne","Journal of Organic Chemistry","2009","74","","6311","6314","10.1021/jo901177e","","","0.71073","MoKα","","0.0822","0.0462","","","0.1103","0.123","","","","","","1.047","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024779","14.151","0.0003","18.317","0.0004","21.0453","0.0005","90","","90","","90","","5455","0.2","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 -","- C76 H64 -","- C304 H256 -","4","1","","Anupam Mukherjee; Kamalkishore Pati; Rai-Shung Liu","A Convenient Synthesis of Tetrabenzo[de,hi,mn,qr]naphthacene from Readily Available 1,2-Di(phenanthren-4-yl)ethyne","Journal of Organic Chemistry","2009","74","","6311","6314","10.1021/jo901177e","","","0.71073","MoKα","","0.1409","0.1323","","","0.3158","0.3204","","","","","","1.082","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024780","8.665","","18.998","","11.665","","90","","129.28","","90","","1486.4","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl N O -","- C17 H17 Cl N O -","- C68 H68 Cl4 N4 O4 -","4","1","","Mariangela Dammacco; Leonardo Degennaro; Saverio Florio; Renzo Luisi; Biagia Musio; Angela Altomare","Lithiation of N-Alkyl-(o-tolyl)aziridine: Stereoselective Synthesis of Isochromans","Journal of Organic Chemistry","2009","74","","6319","6322","10.1021/jo9011943","","","0.71073","MoKα","","0.05","0.05","","0.081","0.081","","","","0.248","0.248","0.248","","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024781","4.6791","0.0006","7.8457","0.0011","16.084","0.002","90","","96.666","0.002","90","","586.45","0.14","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N5 O4 -","- C10 H15 N5 O4 -","- C20 H30 N10 O8 -","2","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0284","0.0267","","","0.0689","0.0699","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024782","7.3242","0.0007","10.7071","0.0011","11.3268","0.0012","96.261","0.002","99.177","0.002","108.178","0.002","821.1","0.14","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H38 N10 O8.5 -","- C32 H38 N10 O8.498 -","- C32 H38 N10 O8.498 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0467","0.0417","","","0.0931","0.0961","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024783","7.3665","0.0005","10.55","0.0007","11.8151","0.0008","75.807","0.001","73.801","0.001","71.538","0.001","823.9","0.1","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H40 N10 O9 -","- C34 H40 N10 O9 -","- C34 H40 N10 O9 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0365","0.0346","","","0.0898","0.0912","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024784","7.8036","0.0003","10.1562","0.0003","12.3581","0.0003","93.768","0.002","94.058","0.003","101.822","0.003","953.03","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H44 N10 O8 -","- C41 H44 N10 O8 -","- C41 H44 N10 O8 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","1.5418","CuKα","","0.0335","0.0333","","","0.0925","0.0929","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024785","11.53458","0.00017","4.57235","0.00006","15.5302","0.0002","90","","103.458","0.0015","90","","796.57","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N6 O5 -","- C16 H16 N6 O5 -","- C32 H32 N12 O10 -","2","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","1.5418","CuKα","","0.0363","0.0347","","","0.0935","0.0948","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024786","9.7187","0.0004","9.852","0.0004","18.5662","0.0008","90","","90","","90","","1777.69","0.13","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0365","0.0347","","","0.0877","0.0889","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024787","9.2539","0.0007","16.3981","0.0012","6.2253","0.0005","90","","103.545","0.001","90","","918.39","0.12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 N2 O6 Pd -","- C14 H32 N2 O6 Pd -","- C28 H64 N4 O12 Pd2 -","2","0.5","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0393","0.0285","","","0.0592","0.0626","","","","","","1.071","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024788","8.663","0.002","9.548","0.003","10.915","0.003","90.92","0.02","94.53","0.02","116.86","0.03","801.5","0.4","150","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0397","0.0319","","","0.0823","0.0846","","","","","","1.084","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024789","8.1475","0.0009","8.2598","0.0017","8.4","0.001","79.263","0.013","70.219","0.01","80.475","0.012","519.41","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O2 -","- C13 H15 O2 -","- C26 H30 O4 -","2","1","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0939","0.0629","","","0.1698","0.1912","","","","","","1.077","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024790","8.424","0.003","23.69","0.05","25.474","0.009","90","","90","","90","","5083","10","150","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C240 H320 O48 -","16","2","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0992","0.0346","","","0.0465","0.0526","","","","","","0.71","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024791","8.174","0.0016","8.424","0.0006","8.571","0.0007","98.169","0.007","100.674","0.01","90.637","0.01","573.66","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.7093","MoKα","","0.042","0.0347","","","0.0803","0.0853","","","","","","1.079","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024792","18.27","0.002","16.5555","0.0017","19.663","0.003","90","","101.596","0.006","90","","5826.2","1.2","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C61 H56 Cl8 N3 O5 -","- C61 H56 Cl8 N3 O5 -","- C244 H224 Cl32 N12 O20 -","4","1","","Hualei Qian; Wan Yue; Yonggang Zhen; Simone Di Motta; Eugenio Di Donato; Fabrizia Negri; Jianqiang Qu; Wei Xu; Daoben Zhu; Zhaohui Wang","Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain","Journal of Organic Chemistry","2009","74","","6275","6282","10.1021/jo901285k","","","0.7107","MoKα","","0.1055","0.0959","","","0.2568","0.2631","","","","","","1.191","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024793","8.3321","0.0014","15.291","0.003","20.134","0.004","73.673","0.004","86.124","0.006","85.033","0.006","2450.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.75 H52.5 Cl1.5 N2 O4 S -","- C54.75 H52.5 Cl1.5 N2 O4 S -","- C109.5 H105 Cl3 N4 O8 S2 -","2","1","","Hualei Qian; Wan Yue; Yonggang Zhen; Simone Di Motta; Eugenio Di Donato; Fabrizia Negri; Jianqiang Qu; Wei Xu; Daoben Zhu; Zhaohui Wang","Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain","Journal of Organic Chemistry","2009","74","","6275","6282","10.1021/jo901285k","","","0.7107","MoKα","","0.1064","0.0962","","","0.2987","0.3143","","","","","","1.285","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024794","13.159","0.002","14.135","0.002","13.883","0.003","90","","116.723","0.003","90","","2306.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O3 S -","- C28 H24 O3 S -","- C112 H96 O12 S4 -","4","1","","Zhenqian Fu; Mang Wang; Ying Dong; Jun Liu; Qun Liu","Direct Synthesis of Highly Substituted 2-Cyclohexenones and Sterically Hindered Benzophenones Based on a [5C + 1C] Annulation","Journal of Organic Chemistry","2009","74","","6105","6110","10.1021/jo9013386","","","0.71073","MoKα","","0.132","0.0618","","","0.1112","0.1363","","","","","","0.996","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024795","8.8165","0.0005","11.1574","0.0006","12.4237","0.0007","90","","90","","90","","1222.11","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Oxepines","","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","","Vrushali H. Jadhav; Omprakash P. Bande; Rahul V. Pinjari; Shridhar P. Gejji; Vedavati G. Puranik; Dilip D. Dhavale","Synthesis and Conformational Study of Chiral Oxepines: The Baylis-Hillman Reaction and RCM Approach with Sugar Aldehyde","Journal of Organic Chemistry","2009","74","","6486","6494","10.1021/jo900660q","","","0.71073","MoKα","","0.0432","0.0426","","","0.1031","0.1038","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024796","9.3426","0.0007","15.8436","0.0008","17.0456","0.001","90","","90","","90","","2523.1","0.3","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C96 H128 N16 O16 -","8","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.0983","0.0462","","","0.1056","0.1291","","","","","","1.03","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024797","8.6456","0.0005","9.0647","0.0008","10.9868","0.0012","104.918","0.009","92.653","0.007","111.225","0.005","766.22","0.12","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C30 H44 N4 O4 -","2","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.0524","0.0402","","","0.1071","0.116","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024798","10.43","0.0008","19.336","0.002","8.9636","0.0012","90","","108.426","0.012","90","","1715.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.1068","0.0493","","","0.1113","0.1388","","","","","","1.011","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024799","27.957","0.002","19.8218","0.0014","36.046","0.004","90","","111.639","0.002","90","","18567","3","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C93 H96 F45 N21 O24 P4.5 Pd3 S6 -","- C93 H96 F42 N21 O24 P4.5 Pd3 S6 -","- C372 H384 F168 N84 O96 P18 Pd12 S24 -","4","0.5","","Víctor Blanco; Albert Gutiérrez; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela","Expanding the Cavity Size: Preparation of 2:1 Inclusion Complexes Based on Dinuclear Square Metallocycles","Journal of Organic Chemistry","2009","74","","6577","6583","10.1021/jo901034c","","","0.71073","MoKα","","0.2306","0.1481","","","0.4005","0.4487","","","","","","1.512","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024800","11.98","0.005","16.281","0.005","20.727","0.005","79.839","0.005","84.983","0.005","68.931","0.005","3712","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H80 F18 N9 O11 P3 Pd -","- C62 H80 F18 N9 O11 P3 Pd -","- C124 H160 F36 N18 O22 P6 Pd2 -","2","1","","Víctor Blanco; Albert Gutiérrez; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela","Expanding the Cavity Size: Preparation of 2:1 Inclusion Complexes Based on Dinuclear Square Metallocycles","Journal of Organic Chemistry","2009","74","","6577","6583","10.1021/jo901034c","","","0.71073","MoKα","","0.1341","0.1013","","","0.2568","0.2773","","","","","","1.098","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024801","9.8908","0.0003","12.4381","0.0003","18.2355","0.0005","90","","90","","90","","2243.38","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Pd -","- C14 H14 Pd -","- C112 H112 Pd8 -","8","1","","Danielle M. Norton; Emily A. Mitchell; Nerine R. Botros; Philip G. Jessop; Michael C. Baird","A Superior Precursor for Palladium(0)-Based Cross-Coupling and Other Catalytic Reactions","Journal of Organic Chemistry","2009","74","","6674","6680","10.1021/jo901121e","","","0.71073","MoKα","","0.0296","0.0227","","","0.0514","0.0557","","","","","","1.045","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024802","9.739","0.002","14.681","0.003","11.462","0.003","90","","92.569","0.004","90","","1637","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C56 H72 N16 O20 -","4","1","","Sean P. McClintock; Nathan Forster; Rainer Herges; Michael M. Haley","Synthesis of α-Ketoester- and α-Hydroxyester-Substituted Isoindazoles via the Thermodynamic Coarctate Cyclization of Ester-Terminated Azo-Ene-Yne Systems","Journal of Organic Chemistry","2009","74","","6631","6636","10.1021/jo9011283","","","0.71073","MoKα","","0.1172","0.0546","","","0.0927","0.1187","","","","","","0.999","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024803","36.9809","0.0013","9.4549","0.0007","21.9873","0.0011","90","","126.232","0.002","90","","6201.3","0.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N4 O -","- C17 H22 N4 O -","- C272 H352 N64 O16 -","16","2","","John P. Clare; Anna Statnikov; Vincent Lynch; Andrew L. Sargent; John W. Sibert","""Wurster-Type"" Ureas as Redox-Active Receptors for Anions","Journal of Organic Chemistry","2009","74","","6637","6646","10.1021/jo9011392","","","0.71073","MoKα","","0.1842","0.0767","","","0.1818","0.2281","","","","","","1.126","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024804","9.175","0.005","18.652","0.005","15.823","0.005","90","0.005","100.355","0.005","90","0.005","2663.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O4 S -","- C30 H31 N3 O4 S -","- C120 H124 N12 O16 S4 -","4","1","","Vadakkancheril S. Jisha; Anu J. Thomas; Danaboyina Ramaiah","Fluorescence Ratiometric Selective Recognition of Cu2+ Ions by Dansyl-Naphthalimide Dyads","Journal of Organic Chemistry","2009","74","","6667","6673","10.1021/jo901164w","","","0.71069","MoKα","","0.0694","0.0415","","","0.1099","0.1329","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024805","16.272","0.003","10.2332","0.0019","20.054","0.004","90","","97.509","0.005","90","","3310.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C176 H136 N8 O8 -","8","2","","Hongfeng Li; Jingyu Yang; Yuanhong Liu; Yanzhong Li","Iron-Catalyzed Cascade Arene-Aldehyde Addition/Cyclizations for the Highly Efficient Synthesis of Xanthenes and Its Analogous: Observation of a C-C Bond Cleavage in Indole-Based Triarylmethanes","Journal of Organic Chemistry","2009","74","","6797","6801","10.1021/jo9012354","","","0.71073","MoKα","","0.161","0.1044","","","0.3077","0.3351","","","","","","1.072","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024806","11.675","0.0019","7.9242","0.0013","20.616","0.004","90","","98.181","0.004","90","","1887.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Hongfeng Li; Jingyu Yang; Yuanhong Liu; Yanzhong Li","Iron-Catalyzed Cascade Arene-Aldehyde Addition/Cyclizations for the Highly Efficient Synthesis of Xanthenes and Its Analogous: Observation of a C-C Bond Cleavage in Indole-Based Triarylmethanes","Journal of Organic Chemistry","2009","74","","6797","6801","10.1021/jo9012354","","","0.71073","MoKα","","0.0827","0.0473","","","0.106","0.1177","","","","","","0.916","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024807","15.7454","0.0003","6.3368","0.0001","17.3225","0.0004","90","","93.0165","0.001","90","","1725.97","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0723","0.0525","","0.1209","0.1073","0.1016","","","","","","0.8712","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024808","10.0731","0.0002","13.6453","0.0003","14.6931","0.0004","90","","109.818","0.0008","90","","1899.96","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br N -","- C21 H26 Br N -","- C84 H104 Br4 N4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0858","0.0452","","0.1031","0.0876","0.082","","","","","","1.0074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024809","10.7783","0.0002","14.9377","0.0004","11.3867","0.0003","90","","92.8387","0.001","90","","1831.04","0.08","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N -","- C22 H27 N -","- C88 H108 N4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1104","0.0699","","0.1744","0.1534","0.1454","","","","","","1.0229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024810","12.444","0.003","7.8733","0.0016","16.766","0.003","90","","109.74","0.03","90","","1546.1","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0924","0.0924","","0.2139","0.2139","0.2139","","","","","","0.9083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024811","8.8068","0.0002","10.2538","0.0002","11.8459","0.0002","106.304","0.0009","91.041","0.0008","95.2761","0.0009","1021.27","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 B F4 N O3 -","- C21 H26 B F4 N O3 -","- C42 H52 B2 F8 N2 O6 -","2","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0553","0.0425","","0.054","0.0516","0.0506","","","","","","1.3059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024812","14.8507","0.0004","14.8824","0.0004","16.6996","0.0004","90","","94.0401","0.0018","90","","3681.67","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O -","- C22 H27 N O -","- C176 H216 N8 O8 -","8","2","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.2897","0.1513","","0.2181","0.1332","0.1332","","","","","","0.9976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024813","9.6786","0.0002","15.6935","0.0004","11.6781","0.0004","90","","92.0417","0.001","90","","1772.67","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0961","0.0343","","0.092","0.0345","0.0345","","","","","","1.1205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024814","9.6265","0.0002","7.4403","0.0002","29.2042","0.0007","90","","90.7608","0.0011","90","","2091.54","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O5 S -","- C22 H27 N O5 S -","- C88 H108 N4 O20 S4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1319","0.0494","","0.0951","0.0563","0.0563","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024815","8.3807","0.0001","8.5672","0.0002","21.6908","0.0004","90","","90","","90","","1557.38","0.05","150","","150","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0436","0.0372","","0.0811","0.0749","0.0721","","","","","","0.9766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024816","9.2056","0.0002","10.1292","0.0002","14.56","0.0003","93.3862","0.0008","104.328","0.0009","108.791","0.0008","1230.97","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O7 S -","- C26 H30 N2 O7 S -","- C52 H60 N4 O14 S2 -","2","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.059","0.044","","0.1101","0.102","0.1101","","","","","","0.9545","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024817","9.8999","0.0002","12.314","0.0003","20.6999","0.0006","90","","91.4895","0.0009","90","","2522.62","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C112 H132 N4 O16 S4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1282","0.0654","","0.1667","0.1293","0.1256","","","","","","0.8781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024818","9.3961","0.0004","14.016","0.0006","18.0227","0.0009","90","","99.271","0.002","90","","2342.51","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl3 N O3 -","- C23 H26 Cl3 N O3 -","- C92 H104 Cl12 N4 O12 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0786","0.0537","","0.0921","0.081","0.0778","","","","","","0.9193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024819","10.379","0.0001","13.8632","0.0002","18.1137","0.0002","90","","102.135","0.0005","90","","2548.08","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 F4 N O4 -","- C28 H27 F4 N O4 -","- C112 H108 F16 N4 O16 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1104","0.0715","","0.116","0.0757","0.072","","","","","","1.1177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024820","10.9893","0.0003","13.791","0.0003","12.2178","0.0004","90","","102.402","0.0011","90","","1808.44","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0948","0.0443","","0.0895","0.0405","0.0369","","","","","","1.1363","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024821","6.1629","0.0004","10.0202","0.0007","16.9326","0.0013","96.357","0.003","93.842","0.002","103.221","0.003","1007.06","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C46 H58 N2 O6 -","2","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0967","0.0499","","0.0776","0.049","0.049","","","","","","1.1189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024822","8.7731","0.0002","22.3043","0.0006","10.5826","0.0003","90","","98.2573","0.0011","90","","2049.31","0.09","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1062","0.0493","","0.1124","0.0483","0.0481","","","","","","1.1234","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024823","9.808","0.0001","12.7341","0.0002","15.9205","0.0003","100.782","0.0006","93.3074","0.0007","109.764","0.001","1822.44","0.05","123","","190","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","2","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0787","0.0787","","0.114","0.114","0.114","","","","","","0.8911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024825","13.2502","0.0007","16.0849","0.0008","17.9953","0.001","86.541","0.003","82.282","0.003","82.283","0.003","3762.6","0.3","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C81 H73 Cl3 I4 N8 O6 -","- C75 H59 Cl3 I4 N8 O6 -","- C150 H118 Cl6 I8 N16 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.1045","0.0789","","","0.2017","0.2155","","","","","","1.1","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024826","13.5229","0.0005","16.5761","0.0006","20.5214","0.0008","86.498","0.002","89.086","0.002","74.047","0.002","4414.6","0.3","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C84 H76 Br4 Cl12 N8 O7 -","- C84 H76 Br4 Cl12 N8 O7 -","- C168 H152 Br8 Cl24 N16 O14 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.0885","0.0561","","","0.1329","0.1478","","","","","","1.024","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024827","13.3345","0.0003","16.0184","0.0004","18.1152","0.0004","89.207","0.002","82.158","0.002","77.832","0.002","3746.61","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79.75 H71.75 Cl5.25 N8 O6 -","- C79 H71 Cl3 N8 O6 -","- C158 H142 Cl6 N16 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.0802","0.0625","","","0.1705","0.1811","","","","","","1.103","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024828","10.5354","0.0004","15.9438","0.0006","18.2433","0.0007","104.095","0.002","100.631","0.002","103.265","0.002","2797.5","0.18","100","2","100","2","","","","","","","synthesis","4","P -1","-P 1","2","rotaxane500nm","","","- C70 H60 N6 O6 -","- C70 H60 N6 O6 -","- C140 H120 N12 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.0624","0.0464","","","0.1123","0.122","","","","","","1.059","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024829","13.5542","0.0007","15.7453","0.0008","16.3164","0.0008","95.972","0.002","105.166","0.002","93.929","0.002","3326","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H73 Cl3 N6 O6 -","- C81 H73 Cl3 N6 O6 -","- C162 H146 Cl6 N12 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","","0.71073","MoKα","","0.0635","0.0453","","","0.1081","0.1193","","","","","","1.023","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024830","9.833","0.0005","10.3533","0.0005","11.6066","0.0006","73.138","0.001","70.864","0.001","74.552","0.001","1048.97","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C50 H46 N6 O2 -","2","1","","Nian-Yu Huang; Ming-Guo Liu; Ming-Wu Ding","Efficient Regioselective Synthesis of Indole N-Carboximidamides and N-Carboximidoates by a Sequential Aza-Wittig/Ag(I)-Catalyzed Cyclization","Journal of Organic Chemistry","2009","74","","6874","6877","10.1021/jo901362c","","","0.71073","MoKα","","0.0617","0.0489","","","0.1357","0.1451","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024831","10.368","0.01","5.135","0.005","14.763","0.014","90","","99.164","0.017","90","","775.9","1.3","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C40 H36 O6 -","2","1","","Liang Hong; Lei Wang; Wangsheng Sun; Kwokyin Wong; Rui Wang","Organocatalytic Asymmetric Friedel-Crafts Alkylation/Cyclization Cascade Reaction of 1-Naphthols and α,β-Unsaturated Aldehydes: An Enantioselective Synthesis of Chromanes and Dihydrobenzopyranes","Journal of Organic Chemistry","2009","74","","6881","6884","10.1021/jo901409d","","","0.71073","MoKα","","0.0923","0.0612","","","0.1454","0.166","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024832","5.788","0.002","10.571","0.004","23.447","0.01","90","","90","","90","","1434.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Liang Hong; Lei Wang; Wangsheng Sun; Kwokyin Wong; Rui Wang","Organocatalytic Asymmetric Friedel-Crafts Alkylation/Cyclization Cascade Reaction of 1-Naphthols and α,β-Unsaturated Aldehydes: An Enantioselective Synthesis of Chromanes and Dihydrobenzopyranes","Journal of Organic Chemistry","2009","74","","6881","6884","10.1021/jo901409d","","","0.71073","MoKα","","0.0455","0.0365","","","0.0842","0.0897","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024833","17.8857","0.0012","25.3005","0.0012","31.4601","0.0016","90","","90","","90","","14236.2","1.4","90","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","C70(CF3)10C2H4C6H2(MeO)2","C70(CF3)10C2H4C6H2(MeO)2","","- C104 H28 F30 O2 -","- C104 H28 F30 O2 -","- C832 H224 F240 O16 -","8","1","","Yuta Takano; M. Ángeles Herranz; Ivan E. Kareev; Steven H. Strauss; Olga V. Boltalina; Takeshi Akasaka; Nazario Martín","Efficient Regioselective [4+2] Cycloaddition of o-Quinodimethane to C70(CF3)10","Journal of Organic Chemistry","2009","74","","6902","6905","10.1021/jo9014358","","","0.71075","MoKα","","0.0976","0.0553","","","0.113","0.1266","","","","","","1.013","","","","has coordinates,has disorder","288183","2023-12-08","14:42:53",""
"4024834","8.4163","0.0002","13.8017","0.0003","19.2457","0.0005","90","","92.316","0.002","90","","2233.74","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O5 S Si -","- C20 H26 N2 O5 S Si -","- C80 H104 N8 O20 S4 Si4 -","4","1","","Jian-Hui Liu; Qing-Chuan Yang; Thomas C. W. Mak; Henry N. C. Wong","Correction to Highly Regioselective Synthesis of 2,3,4-Trisubstituted 1H-Pyrroles: A Formal Total Synthesis of Lukianol A","Journal of Organic Chemistry","2009","74","","6906","6906","10.1021/jo901655y","","","0.71073","MoKα","","0.0683","0.0495","","","0.1565","0.171","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024835","10.4182","0.0018","5.0811","0.0007","12.35","0.003","90","","103.834","0.006","90","","634.8","0.19","121","2","121","2","","","","","","","","5","P 1 21 1","P 2yb","4","8d","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C28 H26 N2 O6 S2 -","2","1","","Alan R. Katritzky; Srinivasa R. Tala; Nader E. Abo-Dya; Kapil Gyanda; Bahaa El-Dien M. El-Gendy; Zakaria K. Abdel-Samii; Peter J. Steel","Selective Synthesis and Structural Elucidation of S-Acyl- and N-Acylcysteines","Journal of Organic Chemistry","2009","74","","7165","7167","10.1021/jo900853s","","","0.71073","MoKα","","0.0387","0.0352","","","0.0929","0.0956","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024836","15.1467","0.0016","6.6838","0.0007","12.8779","0.0013","90","","90.948","0.002","90","","1303.5","0.2","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O Si -","- C13 H16 N2 O Si -","- C52 H64 N8 O4 Si4 -","4","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0519","0.0361","","","0.0918","0.1023","","","","","","1.049","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024837","16.431","0.003","7.8966","0.0013","37.563","0.006","90","","90","","90","","4873.6","1.4","163","2","163","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O3 S Si -","- C24 H34 N2 O3 S Si -","- C192 H272 N16 O24 S8 Si8 -","8","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0481","0.037","","","0.0914","0.0986","","","","","","1.101","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024838","19.3855","0.0016","9.347","0.0008","17.3356","0.0014","90","","90","","90","","3141.1","0.5","158","2","158","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H45 N O6 S Si -","- C31 H45 N O6 S Si -","- C124 H180 N4 O24 S4 Si4 -","4","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0416","0.0301","","","0.0666","0.072","","","","","","1.056","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024839","7.3767","0.0013","6.8003","0.0012","12.369","0.002","90","","91.419","0.003","90","","620.3","0.19","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H10 O4 S2 -","- C13 H10 O4 S2 -","- C26 H20 O8 S4 -","2","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0618","0.0575","","","0.1204","0.1226","","","","","","1.236","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024840","25.299","0.002","7.0931","0.0006","8.7605","0.0008","90","","104.897","0.001","90","","1519.2","0.2","173","1","173","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 O6 S3 -","- C14 H12 O6 S3 -","- C56 H48 O24 S12 -","4","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0278","0.0275","","","0.0766","0.0769","","","","","","1.073","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024841","12.769","0.002","7.2172","0.0013","15.297","0.003","90","","90","","90","","1409.7","0.4","200","1","200","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H11 N O4 S3 -","- C12 H11 N O4 S3 -","- C48 H44 N4 O16 S12 -","4","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0632","0.0581","","","0.1273","0.13","","","","","","1.248","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024842","9.245","0.0014","6.063","0.0009","10.2457","0.0016","90","","115.422","0.002","90","","518.69","0.14","158","2","158","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","","Laura E. Bourque; Pamela A. Haile; K. A. Woerpel","Silylene-Mediated Ring Contraction of Homoallylic Ethers To Form Allylic Silanes","Journal of Organic Chemistry","2009","74","","7180","7182","10.1021/jo901111j","","","0.71073","MoKα","","0.0363","0.0331","","","0.0845","0.0874","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024843","9.6995","0.001","11.1496","0.0011","29.233","0.003","90","","90","","90","","3161.4","0.6","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18.0025 H22 O4 -","- C144.02 H176 O32 -","8","2","","Joseph J. Topczewski; Jeffrey D. Neighbors; David F. Wiemer","Total Synthesis of (+)-Schweinfurthins B and E","Journal of Organic Chemistry","2009","74","","6965","6972","10.1021/jo901161m","","","0.71073","MoKα","","0.0705","0.038","","","0.07","0.0796","","","","","","1.022","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024844","8.3448","0.0017","14.71","0.003","17.722","0.004","90","","90","","90","","2175.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F3 N2 O4 -","- C23 H23 F3 N2 O4 -","- C92 H92 F12 N8 O16 -","4","1","","Debasis Samanta; Robert B. Kargbo; Gregory R. Cook","Asymmetric Synthesis of Aminochromanes via Intramolecular Indium-Mediated Allylation of Chiral Hydrazones","Journal of Organic Chemistry","2009","74","","7183","7186","10.1021/jo901195g","","","0.71073","mokα","","0.1373","0.0464","","","0.0913","0.1206","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024845","8.508","0.005","10.467","0.005","22.375","0.005","90","","90","","90","","1992.6","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Manas K. Ghorai; Dipti Shukla; Kalpataru Das","Enantioselective Syntheses of Morpholines and Their Homologues via SN2-Type Ring Opening of Aziridines and Azetidines with Haloalcohols","Journal of Organic Chemistry","2009","74","","7013","7022","10.1021/jo901297d","","x-ray","0.71069","MoKα","","0.0798","0.0557","","","0.1376","0.1789","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024846","9.986","0.005","19.659","0.005","20.658","0.005","90","","90","","90","","4055","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C184 H184 N8 O24 S8 -","- C23 H23 N O3 S -","- C184 H184 N8 O24 S8 -","8","1","","Manas K. Ghorai; Dipti Shukla; Kalpataru Das","Enantioselective Syntheses of Morpholines and Their Homologues via SN2-Type Ring Opening of Aziridines and Azetidines with Haloalcohols","Journal of Organic Chemistry","2009","74","","7013","7022","10.1021/jo901297d","","x-ray","0.71069","MoKα","","0.1385","0.0586","","","0.1404","0.1829","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024847","10.054","0.005","10.102","0.005","16.404","0.005","90","0.005","94.674","0.005","90","0.005","1660.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[3,4-b]indole","3-(4-methoxyphenyl-1-phenylpyrazolo[3,4-b]indole)","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","2","","Sarvesh Kumar; Hiriyakkanavar Ila; Hiriyakkanavar Junjappa","Efficient Routes to Pyrazolo[3,4-b]indoles and Pyrazolo[1,5-a]benzimidazoles via Palladium- and Copper-Catalyzed Intramolecular C-C and C-N Bond Formation","Journal of Organic Chemistry","2009","74","","7046","7051","10.1021/jo901309t","","","0.71069","MoKα","","0.0911","0.0612","","","0.1176","0.1453","","","","","","1.049","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024848","7.5838","0.0011","15.5338","0.0018","11.9932","0.0014","90","","105.222","0.001","90","","1363.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Shaojin Gu; Chao Chen; Wanzhi Chen","Ortho-Functionalization of 2-Phenoxypyrimidines via Palladium-Catalyzed C-H Bond Activation","Journal of Organic Chemistry","2009","74","","7203","7206","10.1021/jo901316b","","","0.71073","MoKα","","0.1552","0.0898","","","0.1744","0.1961","","","","","","1.248","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024849","10.5637","0.0002","19.8815","0.0006","11.3971","0.0003","90","","117.489","0.0014","90","","2123.41","0.09","293","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br2 N2 O5 -","- C22 H18 Br2 N2 O5 -","- C88 H72 Br8 N8 O20 -","4","1","","Ilga Mutule; Edgars Suna; Kristofer Olofsson; Benjamin Pelcman","Catalytic Direct Acetoxylation of Indoles","Journal of Organic Chemistry","2009","74","","7195","7198","10.1021/jo901321b","","","0.71073","MoKα","","0.091","0.042","","0.117","0.071","0.071","","","1.924","1.706","1.706","1.693","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024850","5.3328","0.0004","11.7263","0.0011","13.0644","0.0014","88.691","0.003","78.853","0.003","83.799","0.006","796.87","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Br N O5 S -","- C16 H12 Br N O5 S -","- C32 H24 Br2 N2 O10 S2 -","2","1","","Ilga Mutule; Edgars Suna; Kristofer Olofsson; Benjamin Pelcman","Catalytic Direct Acetoxylation of Indoles","Journal of Organic Chemistry","2009","74","","7195","7198","10.1021/jo901321b","","","0.71073","MoKα","","0.1258","0.0723","","","0.1898","0.2369","","","","","","1.081","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024851","15.5715","0.0003","14.5131","0.0004","25.4337","0.0004","90","","99.93","0.0012","90","","5661.7","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C109 H162 O11 P8 Pt4 -","- C109 H162 O11 P8 Pt4 -","- C218 H324 O22 P16 Pt8 -","2","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Peter J. Stang","Facile Self-Assembly of Neutral Dendritic Metallocycles via Oxygen-to-Platinum Coordination","Journal of Organic Chemistry","2009","74","","7067","7074","10.1021/jo9013589","","","0.71073","MoKα","","0.0753","0.0531","","","0.1051","0.1162","","","","","","1.035","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024852","15.6185","0.0002","16.1923","0.0002","29.9377","0.0004","81.5975","0.0008","81.9972","0.0007","72.5629","0.0008","7109.15","0.16","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C143 H198 O17 P8 Pt4 -","- C143 H198 O17 P8 Pt4 -","- C286 H396 O34 P16 Pt8 -","2","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Peter J. Stang","Facile Self-Assembly of Neutral Dendritic Metallocycles via Oxygen-to-Platinum Coordination","Journal of Organic Chemistry","2009","74","","7067","7074","10.1021/jo9013589","","","0.71073","MoKα","","0.153","0.0788","","","0.1488","0.1801","","","","","","1.04","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024853","9.332","0.003","20.815","0.007","4.4127","0.0014","90","","90","","90","","857.2","0.5","93","2","93","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H11 F5 O2 -","- C7 H11 F5 O2 -","- C28 H44 F20 O8 -","4","0.5","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.2049","0.1595","","","0.3786","0.4403","","","","","","1.926","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024854","6.363","0.003","7.681","0.003","23.808","0.009","90","","95.68","0.03","90","","1157.8","0.8","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 F5 O6 S2 -","- C21 H23 F5 O6 S2 -","- C42 H46 F10 O12 S4 -","2","1","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.245","0.194","","","0.4657","0.4947","","","","","","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024855","12.544","0.004","6.009","0.002","30.39","0.009","90","","93.885","0.01","90","","2285.4","1.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F5 O6 S2 -","- C21 H23 F5 O6 S2 -","- C84 H92 F20 O24 S8 -","4","1","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.1948","0.1507","","","0.4221","0.4478","","","","","","1.133","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024856","10.1109","0.0012","14.683","0.0018","20.472","0.003","90","","99.815","0.002","90","","2994.8","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H75 Br5 O5 -","- C60 H75 Br5 O5 -","- C120 H150 Br10 O10 -","2","1","","Katerina Kogan; Silvio E. Biali","Incorporation of Substituents at the Methylene Linkages of the Calix[5]arene Skeleton","Journal of Organic Chemistry","2009","74","","7172","7175","10.1021/jo901450x","","","0.71073","MoKα","","0.0572","0.0399","","","0.0853","0.0902","","","","","","0.993","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024857","15.4464","0.0011","16.094","0.0012","16.5413","0.0012","90.307","0.001","102.042","0.001","115.366","0.001","3612.9","0.5","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Katerina Kogan; Silvio E. Biali","Incorporation of Substituents at the Methylene Linkages of the Calix[5]arene Skeleton","Journal of Organic Chemistry","2009","74","","7172","7175","10.1021/jo901450x","","","0.71073","MoKα","","0.0846","0.0704","","","0.1911","0.2008","","","","","","1.036","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024858","14.479","0.002","10.3508","0.0015","8.772","0.0013","90","","94.713","0.003","90","","1310.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N O2 -","- C14 H14 Cl N O2 -","- C56 H56 Cl4 N4 O8 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0473","0.0399","","","0.1106","0.1343","","","","","","1.171","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024859","9.1464","0.0013","29.614","0.004","9.9453","0.0014","90","","90.732","0.003","90","","2693.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N O2 -","- C14 H14 Cl N O2 -","- C112 H112 Cl8 N8 O16 -","8","2","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.1068","0.081","","","0.1866","0.2074","","","","","","1.178","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024860","14.654","0.003","10.349","0.002","8.7921","0.0017","90","","94.599","0.003","90","","1329.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.071","0.0555","","","0.1559","0.179","","","","","","1.077","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024861","8.567","0.005","22.285","0.012","6.976","0.004","90","","90.694","0.01","90","","1331.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0398","0.0333","","","0.0876","0.0975","","","","","","1.088","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024862","6.225","0.002","10.639","0.004","21.229","0.007","90","","90","","90","","1405.8","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.1086","0.0946","","","0.1978","0.2038","","","","","","1.309","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024863","10.2065","0.0019","9.2995","0.0017","28.631","0.005","90","","90","","90","","2717.5","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0584","0.0414","","","0.116","0.1318","","","","","","1.069","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024864","13.327","0.003","6.6298","0.0014","15.688","0.003","90","","100.725","0.002","90","","1361.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0624","0.0503","","","0.1405","0.1532","","","","","","1.03","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024865","10.0278","0.0002","7.7271","0.0002","12.667","0.0002","90","","92.688","0.001","90","","980.43","0.04","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O9 -","- C20 H23 N O9 -","- C40 H46 N2 O18 -","2","1","","Madhuri Manpadi; Artem S. Kireev; Igor V. Magedov; Jeff Altig; Paul Tongwa; Mikhail Yu. Antipin; Antonio Evidente; Willem A. L. van Otterlo; Alexander Kornienko","Synthesis of Structurally Simplified Analogues of Pancratistatin: Truncation of the Cyclitol Ring","Journal of Organic Chemistry","2009","74","","7122","7131","10.1021/jo901494r","","","1.54178","CuKα","","0.0475","0.0404","","","0.1021","0.1077","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024866","10.1897","0.0006","10.7592","0.0007","10.8037","0.0006","96.225","0.002","106.497","0.002","117.853","0.002","962.65","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C46 H50 N2 O4 S2 -","2","1","","Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake","Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway","Journal of Organic Chemistry","2009","74","","6929","6935","10.1021/jo901512m","","","0.71073","MoKα","","0.0544","0.0449","","","0.1219","0.1301","","","","","","1.042","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024867","9.2986","0.001","9.4653","0.001","9.7386","0.001","109.869","0.005","106.046","0.005","97.731","0.005","749.55","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N O -","- C18 H18 F2.997 N O -","- C36 H36 F5.994 N2 O2 -","2","1","","Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake","Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway","Journal of Organic Chemistry","2009","74","","6929","6935","10.1021/jo901512m","","","0.71073","MoKα","","0.0633","0.0521","","","0.1385","0.148","","","","","","1.03","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024868","9.6061","0.0003","26.6832","0.0009","8.2419","0.0003","90","","107.54","0.002","90","","2014.36","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake","Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway","Journal of Organic Chemistry","2009","74","","6929","6935","10.1021/jo901512m","","","0.71073","MoKα","","0.0508","0.041","","","0.1029","0.1105","","","","","","1.021","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024869","9.1983","0.0001","9.1983","0.0001","51.2454","0.0011","90","","90","","90","","4335.81","0.11","150","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22.5 H23.5 Cl1.5 F3 O3 -","- C22.5 H23.5 Cl1.5 F3 O3 -","- C180 H188 Cl12 F24 O24 -","8","1","","Changho Han; Francis J. Barrios; Mark V. Riofski; David A. Colby","Semisynthetic Derivatives of Sesquiterpene Lactones by Palladium-Catalyzed Arylation of the α-Methylene-γ-lactone Substructure","Journal of Organic Chemistry","2009","74","","7176","7179","10.1021/jo901533e","","","1.54184","CU-Kα","","0.046","0.046","","","0.118","0.118","","","","","","1.033","","","","has coordinates","288189","2023-12-08","15:49:02",""
"4024870","8.4424","0.0004","13.3817","0.0006","16.9812","0.0008","90","","90","","90","","1918.43","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F3 O3 -","- C22 H23 F3 O3 -","- C88 H92 F12 O12 -","4","1","","Changho Han; Francis J. Barrios; Mark V. Riofski; David A. Colby","Semisynthetic Derivatives of Sesquiterpene Lactones by Palladium-Catalyzed Arylation of the α-Methylene-γ-lactone Substructure","Journal of Organic Chemistry","2009","74","","7176","7179","10.1021/jo901533e","","","1.54184","CU-Kα","","0.051","0.038","","","0.076","0.087","","","","","","1.007","","","","has coordinates","288533","2023-12-23","23:49:11",""
"4024871","7.67","0.0004","10.6575","0.0005","10.9645","0.0006","90.973","0.003","99.975","0.003","100.225","0.004","867.65","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O7 -","- C18 H17 N O7 -","- C36 H34 N2 O14 -","2","1","","Szilvia Hajdok; Jürgen Conrad; Heiko Leutbecher; Sabine Strobel; Thomas Schleid; Uwe Beifuss","The Laccase-Catalyzed Domino Reaction between Catechols and Heterocyclic 1,3-Dicarbonyls and the Unambiguous Structure Elucidation of the Products by NMR Spectroscopy and X-ray Crystal Structure Analysis","Journal of Organic Chemistry","2009","74","","7230","7237","10.1021/jo9011915","","","0.71073","MoKα","","0.1165","0.0652","","","0.1279","0.1496","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024872","10.8269","0.0001","11.0467","0.0002","13.603","0.0002","90","","110.481","0.001","90","","1524.1","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","1","","P. C. Ravikumar; Lihua Yao; Fraser F. Fleming","Allylic and Allenic Halide Synthesis via NbCl5- and NbBr5-Mediated Alkoxide Rearrangements","Journal of Organic Chemistry","2009","74","","7294","7299","10.1021/jo901287f","","","0.71073","MoKα","","0.0849","0.0484","","","0.125","0.15","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024873","12.442","0.0003","11.8819","0.0003","21.2719","0.0007","90","","103.131","0.002","90","","3062.5","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 O4 S -","- C14 H24 O4 S -","- C112 H192 O32 S8 -","8","4","","Paweł Chochrek; Jadwiga Frelek; Marcin Kwit; Jerzy Wicha","New Insight into Chiroptical Properties of 1,2-Diols Cyclic Sulfites.","Journal of Organic Chemistry","2009","74","","7300","7308","10.1021/jo9012964","","","0.71073","MoKα","","0.0582","0.0343","","","0.062","0.0651","","","","","","0.876","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024874","8.02","0.0008","10.4318","0.0012","11.598","0.0015","75.684","0.007","75.833","0.006","87.738","0.006","911.37","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25.93 Br0.07 N2 O3 -","- C21 H25.93 Br0.07 N2 O3 -","- C42 H51.86 Br0.14 N4 O6 -","2","1","","Drew R. Bobeck; Hyoung Ik Lee; Andrew C. Flick; Albert Padwa","Application of Cross-Conjugated Heteroaromatic Betaines to the Synthesis of the Schizozygane Alkaloid (\±)-Strempeliopine","Journal of Organic Chemistry","2009","74","","7389","7402","10.1021/jo901336z","","","1.54178","CuKα","","0.0998","0.0893","","","0.2834","0.2911","","","","","","1.131","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024875","12.645","0.0018","11.5032","0.0016","13.9685","0.0019","90","","109.305","0.002","90","","1917.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan","Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction","Journal of Organic Chemistry","2009","74","","7403","7406","10.1021/jo901379h","","","0.71073","MoKα","","0.0882","0.0482","","","0.1119","0.1304","","","","","","1.039","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024877","8.698","0.0011","9.5228","0.0012","20.257","0.003","90","","90","","90","","1677.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan","Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction","Journal of Organic Chemistry","2009","74","","7403","7406","10.1021/jo901379h","","","0.71073","MoKα","","0.0636","0.0553","","","0.1519","0.1599","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024878","16.693","0.002","19.397","0.003","18.801","0.002","90","","115.585","0.002","90","","5490.7","1.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C288 H192 O48 -","12","3","","Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan","Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction","Journal of Organic Chemistry","2009","74","","7403","7406","10.1021/jo901379h","","","0.71073","MoKα","","0.0917","0.0511","","","0.1372","0.1709","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024879","7.4759","0.0015","9.3116","0.0019","10.642","0.002","76.16","0.03","74.69","0.03","81.38","0.03","690.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H11 N3 -","- C20 H11 N3 -","- C40 H22 N6 -","2","1","","Chunyan Du; Jianming Chen; Yunlong Guo; Kun Lu; Shanghui Ye; Jian Zheng; Yunqi Liu; Zhigang Shuai; Gui Yu","Dicyanovinyl Heterotetracenes: Synthesis, Solid-State Structures, and Photophysical Properties","Journal of Organic Chemistry","2009","74","","7322","7327","10.1021/jo901381f","","","0.71073","MoKα","","0.0526","0.0454","","","0.1009","0.105","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024880","10.9729","0.0017","13.258","0.002","13.822","0.002","90","","105.06","0.002","90","","1941.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Lijuan Jiao; Changjiang Yu; Jilong Li; Zhaoyun Wang; Min Wu; Erhong Hao","β-Formyl-BODIPYs from the Vilsmeier-Haack Reaction","Journal of Organic Chemistry","2009","74","","7525","7528","10.1021/jo901407h","","","0.71073","MoKα","","0.0627","0.0431","","","0.1173","0.1295","","","","","","1.234","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024881","6.8054","0.001","17.464","0.003","16.883","0.003","90","","96.101","0.002","90","","1995.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F2 N4 -","- C23 H19 B F2 N4 -","- C92 H76 B4 F8 N16 -","4","1","","Lijuan Jiao; Changjiang Yu; Jilong Li; Zhaoyun Wang; Min Wu; Erhong Hao","β-Formyl-BODIPYs from the Vilsmeier-Haack Reaction","Journal of Organic Chemistry","2009","74","","7525","7528","10.1021/jo901407h","","","0.71073","MoKα","","0.1335","0.0512","","","0.106","0.1414","","","","","","1.001","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024882","13.1824","0.0008","14.2832","0.0009","17.092","0.001","91.782","0.005","109.531","0.005","115.968","0.006","2666.3","0.3","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C78 H148 Br4 N20 O37 P6 -","- C78 H130 Br4 N20 O37 P6 -","- C78 H130 Br4 N20 O37 P6 -","1","1","","Carla Bazzicalupi; Andrea Bencini; Silvia Biagini; Enrico Faggi; Stefano Meini; Claudia Giorgi; Alessio Spepi; Barbara Valtancoli","Exploring the Binding Ability of Phenanthroline-Based Polyammonium Receptors for Anions: Hints for Design of Selective Chemosensors for Nucleotides","Journal of Organic Chemistry","2009","74","","7349","7363","10.1021/jo901423m","","","0.71073","MoKα","","0.1686","0.0777","","","0.1769","0.218","","","","","","0.899","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024883","13.4214","0.0014","13.9761","0.0014","15.4338","0.0016","90","","90","","90","","2895.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C136 H144 N16 O24 -","8","1","","Pinhong Chen; Lidong Cao; Chaozhong Li","Protecting-Group-Free Total Synthesis of (\±)-Subincanadine F","Journal of Organic Chemistry","2009","74","","7533","7535","10.1021/jo901444e","","","0.71073","MoKα","","0.0954","0.046","","","0.0847","0.0961","","","","","","0.862","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024884","14.311","0.001","18.352","0.001","21.109","0.001","90","","125.61","0.003","90","","4507.2","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 B Cl4 F4 O P2 -","- C49 H41 B Cl4 F4 O P2 -","- C196 H164 B4 Cl16 F16 O4 P8 -","4","1","","Aurélie Escalle; Xavier F. Le Goff; Pascal Le Floch","Protonation of a Xantphos-Phosphole Ligand. Intramolecular Trapping of a P-H Phospholium Salt","Journal of Organic Chemistry","2009","74","","7540","7543","10.1021/jo9014485","","","0.71069","MoKα","","0.0933","0.058","","","0.1537","0.1706","","","","","","1.066","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024885","20.5543","0.0015","10.3895","0.0008","10.2119","0.0008","90","","100.464","0.001","90","","2144.5","0.3","173","2","173","2","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","1","","David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble","Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes","Journal of Organic Chemistry","2009","74","","7544","7547","10.1021/jo901482y","","","0.71073","MoKα","","0.0733","0.0579","","","0.1538","0.1638","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024886","20.4461","0.0012","20.4461","0.0012","16.7061","0.0019","90","","90","","90","","6983.9","1","100","2","100","2","","","101","","","","","4","I 4/m","-I 4","87","","","","- C39 H36 N2 O6 -","- C39 H37.6 N2 O6 -","- C312 H300.8 N16 O48 -","8","0.5","","David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble","Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes","Journal of Organic Chemistry","2009","74","","7544","7547","10.1021/jo901482y","","x-ray","0.71073","MoKα","","0.0735","0.0584","","","0.1603","0.1722","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024887","11.4259","0.0005","13.7896","0.0006","15.1392","0.0007","109.741","0.0009","103.847","0.0008","101.42","0.001","2075.93","0.16","173","2","173","2","","","101","","","","","5","P -1","-P 1","2","","","","- C43 H42 Cl6 N2 O6 -","- C43 H42 Cl6 N2 O6 -","- C86 H84 Cl12 N4 O12 -","2","1","","David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble","Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes","Journal of Organic Chemistry","2009","74","","7544","7547","10.1021/jo901482y","","x-ray","0.71073","MoKα","","0.0649","0.0539","","","0.1406","0.1501","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024888","6.7519","0.0008","11.0762","0.0014","24.916","0.004","90","","90","","90","","1863.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl2 N2 O -","- C19 H26 Cl2 N2 O -","- C76 H104 Cl8 N8 O4 -","4","1","","Renzhong Fu; Baoguo Zhao; Yian Shi","Synthesis of (+)-CP-99,994 via Pd(0)-Catalyzed Asymmetric Allylic and Homoallylic C-H Diamination of Terminal Olefin","Journal of Organic Chemistry","2009","74","","7577","7580","10.1021/jo9015584","","","0.71073","MoKα","","0.2057","0.0764","","","0.144","0.198","","","","","","0.888","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024889","10.375","0.002","11.449","0.003","15.153","0.004","90","","90","","90","","1799.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Ileana I. Rodríguez; Abimael D. Rodríguez; Hong Zhao","Aberrarone: A Gorgonian-Derived Diterpene from Pseudopterogorgia elisabethae","Journal of Organic Chemistry","2009","74","","7581","7584","10.1021/jo901578r","","","0.71073","MoKα","","0.0468","0.0344","","","0.0802","0.0849","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024890","11.564","0.002","16.918","0.003","15.223","0.003","90","","109.86","0.03","90","","2801.1","1","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","2","","Yu Sung Chun; Ka Yeon Ryu; Young Ok Ko; Joo Yeon Hong; Jongki Hong; Hyunik Shin; Sang-gi Lee","One-Pot Synthesis of 2-Pyridones via Chemo- and Regioselective Tandem Blaise Reaction of Nitriles with Propiolates","Journal of Organic Chemistry","2009","74","","7556","7558","10.1021/jo901642t","","","0.71073","MoKα","","0.0979","0.0511","","","0.1057","0.1194","","","","","","1.021","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024891","10.059","0.005","10.511","0.005","10.888","0.006","101.811","0.005","114.01","0.006","90.459","0.005","1024","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","azomethine","","","- C25 H10 B F10 N -","- C25 H10 B F10 N -","- C50 H20 B2 F20 N2 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0357","0.0322","","","0.0819","0.0843","","","","","","1.045","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024892","9.938","0.003","15.835","0.005","14.742","0.005","90","","104.326","0.0011","90","","2247.7","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 B F10 N O -","- C26 H12 B F10 N O -","- C104 H48 B4 F40 N4 O4 -","4","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0342","0.0311","","","0.0819","0.0846","","","","","","1.056","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024893","10.685","0.002","10.787","0.002","12.386","0.0018","102.499","0.003","99.863","0.003","116.313","0.004","1189.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H15 B F10 N2 -","- C27 H15 B F10 N2 -","- C54 H30 B2 F20 N4 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0372","0.0316","","","0.0828","0.0872","","","","","","1.039","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024894","7.023","0.003","18.157","0.008","33.402","0.013","90","","90","","90","","4259","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 B F10 N -","- C23 H14 B F10 N -","- C184 H112 B8 F80 N8 -","8","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0665","0.0461","","","0.0972","0.1093","","","","","","0.96","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024895","12.668","0.007","14.219","0.008","16.583","0.01","90","","90.515","0.003","90","","2987","3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H16 B Cl2 F10 N -","- C34 H16 B Cl2 F10 N -","- C136 H64 B4 Cl8 F40 N4 -","4","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0904","0.046","","","0.0888","0.1076","","","","","","0.967","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024896","6.725","0.005","9.16","0.008","15.492","0.013","96.728","0.012","98.789","0.012","97.675","0.012","925.4","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 B F10 N O -","- C20 H8 B F10 N O -","- C40 H16 B2 F20 N2 O2 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0452","0.0387","","","0.0977","0.1016","","","","","","0.995","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024897","46.257","0.014","14.155","0.004","14.734","0.004","90","","106.447","0.0011","90","","9252","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H11 B F10 N2 -","- C27 H11 B F10 N2 -","- C432 H176 B16 F160 N32 -","16","2","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0357","0.0321","","","0.0768","0.0794","","","","","","1.047","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024898","10.028","0.003","10.847","0.004","12.469","0.004","72.988","0.013","74.807","0.013","77.869","0.014","1238.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H13 B F10 N2 -","- C31 H13 B F10 N2 -","- C62 H26 B2 F20 N4 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.059","0.0367","","","0.0765","0.0862","","","","","","0.948","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024899","9.9503","0.0011","12.8178","0.0015","18.659","0.002","86.056","0.003","78.703","0.003","80.682","0.003","2301.2","0.5","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 Br2 S5 -","- C48 H62 Br2 S5 -","- C96 H124 Br4 S10 -","2","1","","Andrzej Rajca; Maren Pink; Shuzhang Xiao; Makoto Miyasaka; Suchada Rajca; Kausik Das; Kristin Plessel","Functionalized Thiophene-Based [7]Helicene: Chirooptical Properties versus Electron Delocalization","Journal of Organic Chemistry","2009","74","","7504","7513","10.1021/jo901769c","","","0.48595","synchrotron","","0.1161","0.0966","","","0.2632","0.2802","","","","","","1.065","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024900","14.646","0.0012","4.7274","0.0004","18.0088","0.0014","90","","104.994","0.002","90","","1204.43","0.17","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 Br2 S2 -","- C24 H32 Br2 S2 -","- C48 H64 Br4 S4 -","2","1","","Andrzej Rajca; Maren Pink; Shuzhang Xiao; Makoto Miyasaka; Suchada Rajca; Kausik Das; Kristin Plessel","Functionalized Thiophene-Based [7]Helicene: Chirooptical Properties versus Electron Delocalization","Journal of Organic Chemistry","2009","74","","7504","7513","10.1021/jo901769c","","","0.71073","MoKα","","0.0473","0.037","","","0.0865","0.0906","","","","","","0.989","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024901","9.4168","0.0003","9.8111","0.0002","11.9374","0.0004","96.779","0.002","101.894","0.002","97.749","0.002","1057.19","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N2 S2 -","- C26 H23 N2 S2 -","- C52 H46 N4 S4 -","2","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Dissecting Competitive Mechanisms: Thionation vs. Cycloaddition in the Reaction of Thioisomünchnones with Isothiocyanates under Microwave Irradiation","Journal of Organic Chemistry","2009","74","","7644","7650","10.1021/jo900960a","","","0.71073","MoKα","","0.0701","0.046","","","0.1073","0.121","","","","","","0.941","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024902","18.879","0.0011","24.9139","0.0015","9.4495","0.0005","90","","90","","90","","4444.6","0.4","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H22 N2 O S2 -","- C24 H22 N2 O S2 -","- C192 H176 N16 O8 S16 -","8","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Dissecting Competitive Mechanisms: Thionation vs. Cycloaddition in the Reaction of Thioisomünchnones with Isothiocyanates under Microwave Irradiation","Journal of Organic Chemistry","2009","74","","7644","7650","10.1021/jo900960a","","","0.71073","MoKα","","0.1467","0.1041","","","0.2098","0.2317","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024903","9.5042","0.0002","10.2182","0.0003","12.0526","0.0004","91.851","0.002","102.12","0.002","102.469","0.002","1113.71","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N3 O2 S2 -","- C26 H22 N3 O2 S2 -","- C52 H44 N6 O4 S4 -","2","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Dissecting Competitive Mechanisms: Thionation vs. Cycloaddition in the Reaction of Thioisomünchnones with Isothiocyanates under Microwave Irradiation","Journal of Organic Chemistry","2009","74","","7644","7650","10.1021/jo900960a","","","0.71073","MoKα","","0.0611","0.0436","","","0.1113","0.1216","","","","","","1.038","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024904","24.413","0.003","5.8853","0.0009","19.075","0.002","90","","126.069","0.002","90","","2215.3","0.5","173.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 F3 N O3 S -","- C24 H20 F3 N O3 S -","- C96 H80 F12 N4 O12 S4 -","4","1","","Gaku Hattori; Akiko Yoshida; Yoshihiro Miyake; Yoshiaki Nishibayashi","Enantioselective Ring-Opening Reactions of Racemic Ethynyl Epoxides via Copper-Allenylidene Intermediates: Efficient Approach to Chiral β-Amino Alcohols","Journal of Organic Chemistry","2009","74","","7603","7607","10.1021/jo901064n","","","0.71075","MoKα","","","0.0517","","","","0.1203","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024905","6.614","0.004","9.211","0.006","13.474","0.009","89.016","0.009","89.595","0.008","83.854","0.009","816","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 B F2 N3 O4 -","- C16 H14 B F2 N3 O4 -","- C32 H28 B2 F4 N6 O8 -","2","1","","Dongchuan Wang; Jiangli Fan; Xinqin Gao; Bingshuai Wang; Shiguo Sun; Xiaojun Peng","Carboxyl BODIPY Dyes from Bicarboxylic Anhydrides: One-Pot Preparation, Spectral Properties, Photostability, and Biolabeling","Journal of Organic Chemistry","2009","74","","7675","7683","10.1021/jo901149y","","","0.71073","MoKα","","0.0662","0.0471","","","0.1197","0.1622","","","","","","1.181","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4024906","7.2069","0.0006","13.5133","0.0011","15.0135","0.0012","90","","95.028","0.006","90","","1456.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 B F2 N2 O2 -","- C16 H11 B F2 N2 O2 -","- C64 H44 B4 F8 N8 O8 -","4","1","","Dongchuan Wang; Jiangli Fan; Xinqin Gao; Bingshuai Wang; Shiguo Sun; Xiaojun Peng","Carboxyl BODIPY Dyes from Bicarboxylic Anhydrides: One-Pot Preparation, Spectral Properties, Photostability, and Biolabeling","Journal of Organic Chemistry","2009","74","","7675","7683","10.1021/jo901149y","","","0.71073","MoKα","","0.1186","0.0463","","","0.0878","0.105","","","","","","0.909","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4024907","12.8153","0.0018","17.4849","0.0018","14.9184","0.0018","90","","115.128","0.003","90","","3026.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 F6 N4 O4 Zn -","- C30 H28 F6 N4 O4 Zn -","- C120 H112 F24 N16 O16 Zn4 -","4","0.5","","Jian-Ping Qu; Chao Deng; Jian Zhou; Xiu-Li Sun; Yong Tang","Switchable Reactions of Cyclopropanes with Enol Silyl Ethers. Controllable Synthesis of Cyclopentanes and 1,6-Dicarbonyl Compounds","Journal of Organic Chemistry","2009","74","","7684","7689","10.1021/jo901340v","","","0.71073","MoKα","","0.067","0.0532","","","0.1387","0.1463","","","","","","0.962","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024908","10.4978","0.0009","20.863","0.0018","12.9367","0.0012","90","","109.675","0.002","90","","2667.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 O5 Si -","- C27 H36 O5 Si -","- C108 H144 O20 Si4 -","4","1","","Jian-Ping Qu; Chao Deng; Jian Zhou; Xiu-Li Sun; Yong Tang","Switchable Reactions of Cyclopropanes with Enol Silyl Ethers. Controllable Synthesis of Cyclopentanes and 1,6-Dicarbonyl Compounds","Journal of Organic Chemistry","2009","74","","7684","7689","10.1021/jo901340v","","","0.71073","MoKα","","0.0898","0.053","","","0.1212","0.1342","","","","","","0.919","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024909","36.211","0.003","6.18","0.0004","9.3704","0.0006","90","","93.604","0.003","90","","2092.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl2 F4 N2 O2 -","- C22 H18 Cl2 F4 N2 O2 -","- C88 H72 Cl8 F16 N8 O8 -","4","0.5","","Santos Fustero; Paula Bello; Begoña Fernández; Carlos del Pozo; Gerald B. Hammond","AuX3-Mediated Selective Head-to-Head Dimerization of Difluoropropargyl Amides","Journal of Organic Chemistry","2009","74","","7690","7696","10.1021/jo9013436","","","1.54178","CuKα","","0.0478","0.0377","","","0.095","0.1038","","","","","","1.049","","","","has coordinates","287905","2023-11-30","18:01:52",""
"4024910","12.404","0.002","6.0569","0.001","19.995","0.003","90","","96.491","0.003","90","","1492.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","1","","Manoj K. Agrawal; Pushpito K. Ghosh","Halonium Ion-Assisted Deiodination of Styrene-Based Vicinal Iodohydrins Followed by Rearrangement through Phenyl Migration","Journal of Organic Chemistry","2009","74","","7947","7950","10.1021/jo9013707","","","0.71073","MoKα","","0.1072","0.0834","","","0.1747","0.186","","","","","","1.198","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024911","16.1007","0.0018","4.9477","0.0005","19.26","0.002","90","","103.527","0.002","90","","1491.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","1","","Manoj K. Agrawal; Pushpito K. Ghosh","Halonium Ion-Assisted Deiodination of Styrene-Based Vicinal Iodohydrins Followed by Rearrangement through Phenyl Migration","Journal of Organic Chemistry","2009","74","","7947","7950","10.1021/jo9013707","","","0.71073","MoKα","","0.1336","0.1092","","","0.2106","0.2217","","","","","","1.277","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024912","7.703","0.004","9.545","0.005","10.342","0.005","99.212","0.01","94.034","0.009","96.202","0.01","743.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C30 H28 N8 O8 -","2","1","","Manoj K. Agrawal; Pushpito K. Ghosh","Halonium Ion-Assisted Deiodination of Styrene-Based Vicinal Iodohydrins Followed by Rearrangement through Phenyl Migration","Journal of Organic Chemistry","2009","74","","7947","7950","10.1021/jo9013707","","","0.71073","MoKα","","0.1584","0.1072","","","0.1866","0.2086","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024913","7.5749","0.0012","25.133","0.004","10.4138","0.0016","90","","94.329","0.003","90","","1976.9","0.6","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 N O3 S3 -","- C18 H23 N O3 S3 -","- C72 H92 N4 O12 S12 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Ravindran Sasitha Vidyarini; Srinivasan Chandrasekaran","Direct Synthesis of Functionalized Unsymmetrical β-Sulfonamido Disulfides by Tetrathiomolybdate Mediated Aziridine Ring-Opening Reactions","Journal of Organic Chemistry","2009","74","","7958","7961","10.1021/jo901528e","","","0.71073","MoKα","","0.041","0.0367","","","0.0901","0.0928","","","","","","1.015","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024914","6.1238","0.0005","11.6675","0.0009","11.9189","0.0009","92.441","0.001","103.293","0.001","101.566","0.001","808.43","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C36 H42 Br2 O6 -","2","1","","Paul A. Clarke; Andrew P. Cridland; Gabriele A. Rolla; Mudassar Iqbal; Nigel P. Bainbridge; Adrian C. Whitwood; Claire Wilson","Studies on the Synthesis of the ABC Rings of (\±)-Hexacyclinic Acid","Journal of Organic Chemistry","2009","74","","7812","7821","10.1021/jo901547k","","","0.71073","MoKα","","0.0258","0.0236","","","0.0603","0.0615","","","","","","1.043","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024915","10.1833","0.0008","16.714","0.0013","20.099","0.0015","90","","90","","90","","3420.9","0.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H53 Br O3 Si2 -","- C32 H53 Br O3 Si2 -","- C128 H212 Br4 O12 Si8 -","4","1","","Paul A. Clarke; Andrew P. Cridland; Gabriele A. Rolla; Mudassar Iqbal; Nigel P. Bainbridge; Adrian C. Whitwood; Claire Wilson","Studies on the Synthesis of the ABC Rings of (\±)-Hexacyclinic Acid","Journal of Organic Chemistry","2009","74","","7812","7821","10.1021/jo901547k","","","0.71073","MoKα","","0.0365","0.0285","","","0.0559","0.0577","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024916","10.3703","0.0002","17.3085","0.0003","16.8815","0.0003","90","","90.497","0.001","90","","3030.02","0.1","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 -","- C18 H14 Br2 -","- C144 H112 Br16 -","8","2","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0703","0.0466","","","0.1083","0.1192","","","","","","1.036","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024917","8.1087","0.0002","11.577","0.0003","32.9287","0.0007","90","","90","","90","","3091.16","0.13","200","2","200","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C18 H14 Br2 -","- C18 H14 Br2 -","- C144 H112 Br16 -","8","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0571","0.0389","","","0.1025","0.1271","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024918","7.903","0.0001","11.57","0.0002","32.895","0.0007","90","","90","","90","","3007.84","0.09","150","2","150","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C144 H96 Br16 -","8","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0606","0.0368","","","0.0767","0.0851","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024919","8.065","0.0003","20.727","0.0008","9.305","0.0004","90","","112.974","0.002","90","","1432.08","0.1","200","2","200","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 Br -","- C18 H15 Br -","- C72 H60 Br4 -","4","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.1284","0.0802","","","0.1782","0.1981","","","","","","1.08","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024920","7.273","0.0002","9.704","0.0003","10.507","0.0004","84.253","0.002","79.546","0.002","77.971","0.002","711.73","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H13 Br -","- C18 H13 Br -","- C36 H26 Br2 -","2","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.099","0.0609","","","0.1595","0.1945","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024921","11.5859","0.0008","8.2975","0.0005","33.119","0.002","90","","99.063","0.004","90","","3144.1","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C144 H144 N16 O32 -","8","2","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.0859","0.0799","","0.1569","0.1516","0.1569","","","","","","1.1176","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024922","9.6153","0.0004","9.6328","0.0004","10.123","0.0004","89.578","0.002","67.59","0.002","69.602","0.002","803.88","0.06","150","2","150","2","","","","","","","Ciorsdaidh Watts","4","P -1","-P 1","2","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.046","0.0431","","","0.1097","0.1124","","","","","","1.069","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024923","10.7308","0.0005","16.4002","0.0007","18.9778","0.0008","90","","90","","90","","3339.9","0.3","150","2","150","2","","","","","","","Mairi Rudkin","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","1","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.0476","0.0452","","","0.1059","0.1074","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024924","11.862","0.004","5.908","0.002","12.677","0.005","90","","102.405","0.008","90","","867.7","0.6","297","1","297","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.1007","0.0565","","","0.1112","0.1271","","","","","","1.03","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024925","11.613","0.003","5.8224","0.0016","12.483","0.004","90","","102.266","0.006","90","","824.8","0.4","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.1374","0.0697","","","0.1434","0.1695","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024926","12.375","0.002","5.7906","0.001","12.893","0.002","90","","115.43","0.003","90","","834.4","0.2","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.0841","0.0587","","","0.1372","0.1514","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024927","22.973","0.0019","9.0132","0.0007","23.6517","0.0018","90","","115.689","0.002","90","","4413.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 N2 O5 P S -","- C19 H28 N2 O5 P S -","- C152 H224 N16 O40 P8 S8 -","8","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","","0.71073","MoKα","","0.0856","0.0544","","","0.1494","0.1779","","","","","","1.011","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024928","9.045","0.0005","10.6569","0.0005","12.6186","0.0004","108.664","0.004","96.593","0.004","100.843","0.004","1111.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 N2 O5 P S -","- C20 H31 N2 O5 P S -","- C40 H62 N4 O10 P2 S2 -","2","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","x-ray","1.54184","CuKα","","0.0356","0.0332","","","0.0869","0.0884","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4024929","8.259","0.002","9.835","0.003","15.008","0.006","97.156","0.009","93.314","0.009","113.986","0.006","1097.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N2 O4 S -","- C21 H30 N2 O4 S -","- C42 H60 N4 O8 S2 -","2","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","","0.71073","MoKα","","0.114","0.0785","","","0.1868","0.198","","","","","","1.004","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024930","15.063","0.004","16.8","0.004","7.1328","0.0018","90","","90.619","0.005","90","","1804.9","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","x-ray","0.71073","MoKα","","0.0786","0.0564","","","0.1591","0.1759","","","","","","1.166","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4024931","10.5108","0.0003","20.412","0.0006","11.4447","0.0003","90","","92.583","0.002","90","","2452.93","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Br4 Cl2 Si2 -","- C50 H44 Br4 Cl2 Si2 -","- C100 H88 Br8 Cl4 Si4 -","2","0.5","","Michael D. Weller; Benson M. Kariuki; Liam R. Cox","Synthesis of Hybrid Masked Triyne-Phenylene Axial Rods Containing (E)-β-Chlorovinylsilanes in the π-Conjugated Framework","Journal of Organic Chemistry","2009","74","","7898","7907","10.1021/jo901766p","","","1.54178","CuKα","","0.0674","0.0545","","","0.1441","0.1542","","","","","","1.049","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024932","16.3914","0.0003","9.8562","0.0002","17.5824","0.0004","90","","116.384","0.001","90","","2544.67","0.09","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H61 Cl2 O6 Si2 -","- C48 H46 Cl2 O6 Si2 -","- C96 H92 Cl4 O12 Si4 -","2","0.5","","Michael D. Weller; Benson M. Kariuki; Liam R. Cox","Synthesis of Hybrid Masked Triyne-Phenylene Axial Rods Containing (E)-β-Chlorovinylsilanes in the π-Conjugated Framework","Journal of Organic Chemistry","2009","74","","7898","7907","10.1021/jo901766p","","","1.54178","CuKα","","0.0607","0.0473","","","0.1337","0.1469","","","","","","1.018","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024933","26.8036","0.0007","6.1821","0.0002","24.8527","0.0008","90","","110.146","0.002","90","","3866.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H20 Cl N O3 S -","- C20.5 H20 Cl N O3 S -","- C164 H160 Cl8 N8 O24 S8 -","8","1","","Young Tak Lee; Youn Kyung Kang; Young Keun Chung","Au(I)-Catalyzed Cycloisomerization Reaction of Amide- or Ester-Tethered 1,6-Enynes to Bicyclo[3.2.0]hept-6-en-2-ones","Journal of Organic Chemistry","2009","74","","7922","7934","10.1021/jo901771p","","","0.71073","MoK-alpha","","0.0762","0.0466","","","0.1116","0.1247","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024934","5.5358","0.0006","15.504","0.003","19.766","0.002","90","","90","","90","","1696.5","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Sezgin Kiren; Albert Padwa","A Benzannulation Protocol To Prepare Substituted Aryl Amines Using a Michael-Aldol Reaction of β-Keto Sulfones","Journal of Organic Chemistry","2009","74","","7781","7789","10.1021/jo9017793","","","1.54178","CuKα","","0.0627","0.0473","","","0.0967","0.1022","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024935","6.1093","0.0001","6.1093","0.0001","22.3025","0.0007","90","","90","","90","","832.41","0.03","150","1","150","1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0382","0.0346","","","0.0858","0.0883","","","","","","1.078","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024936","18.7559","0.0003","18.7559","0.0003","16.2998","0.0003","90","","90","","120","","4965.79","0.14","150","1","150","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10.67 H17 N2.33 O2 -","- C10.6667 H17 N2.33333 O2 -","- C192 H306 N42 O36 -","18","1","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0466","0.0386","","","0.0936","0.0986","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024937","14.6394","0.0004","14.6394","0.0004","18.0698","0.0004","90","","90","","90","","3872.58","0.17","150","1","150","1","","","","","","","","4","P 41","P 4w","76","","","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C160 H224 N16 O16 -","8","2","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0929","0.0599","","","0.1188","0.1357","","","","","","1.071","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024938","12.41","0.0002","16.4677","0.0002","13.3409","0.0003","90","","102.877","0.0009","90","","2657.83","0.08","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0667","0.0411","","","0.0946","0.1065","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024939","13.0159","0.0004","16.1571","0.0005","14.0635","0.0003","90","","110.029","0.0017","90","","2778.67","0.13","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 N3 O2 -","- C30 H41 N3 O2 -","- C120 H164 N12 O8 -","4","1","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0947","0.0503","","","0.1096","0.1296","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024940","11.2331","0.001","14.3356","0.0012","9.022","0.0008","90","","90.67","0.002","90","","1452.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O2 -","- C15 H27 N O2 -","- C60 H108 N4 O8 -","4","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0697","0.0535","","","0.1312","0.1399","","","","","","1.03","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024941","31.564","0.004","4.7098","0.0006","15.1845","0.0018","90","","101.074","0.003","90","","2215.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0442","0.0407","","","0.1085","0.1117","","","","","","1.001","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024942","25.633","0.005","8.8841","0.0017","15.847","0.003","90","","107.075","0.004","90","","3449.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C144 H248 N8 O16 -","8","2","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.1036","0.087","","","0.2315","0.2372","","","","","","1.059","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024943","9.5311","0.0005","15.1592","0.0009","18.926","0.0011","90","","90","","90","","2734.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0581","0.0509","","","0.1235","0.1284","","","","","","1.097","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024944","10.018","","26.454","","29.788","","90","","90","","90","","7894.3","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74.5 H11 N O S -","- C74.5 H11 N O S -","- C596 H88 N8 O8 S8 -","8","1","","Fang-Fang Li; Wei-Wei Yang; Guo-Bao He; Xiang Gao","Formation of Fullerooxazoles from C61HPh3-: The Regioselectivity of Heteroatom Additions","Journal of Organic Chemistry","2009","74","","8071","8077","10.1021/jo9012207","","","0.71073","MoKα","","0.206","0.0816","","","0.1736","0.233","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024945","6.5176","0.0002","11.669","0.0005","23.919","0.0009","90","","90","","90","","1819.13","0.12","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Karine Guitot; Stefano Carboni; Oliver Reiser; Umberto Piarulli","Synthesis of (S)- and (R)-5-Oxo-piperazine-2-Carboxylic Acid and Its Application to Peptidomimetics","Journal of Organic Chemistry","2009","74","","8433","8436","10.1021/jo901389q","","x-ray","1.54184","CuKα","","0.0305","0.0283","","","0.0713","0.0723","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024946","9.8547","0.0014","10.3222","0.0014","21.131","0.003","90","","90","","90","","2149.5","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O4 -","- C21 H31 N3 O4 -","- C84 H124 N12 O16 -","4","1","","Giordano Lesma; Nicola Landoni; Tullio Pilati; Alessandro Sacchetti; Alessandra Silvani","Tetrahydroisoquinoline-Based Spirocyclic Lactam as a Type II' β-Turn Inducing Peptide Mimetic","Journal of Organic Chemistry","2009","74","","8098","8105","10.1021/jo901480d","","","0.71073","MoKα","","0.0599","0.0436","","","0.1116","0.1218","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024947","8.6461","0.0018","7.1193","0.0014","15.751","0.003","90","","102.406","0.018","90","","946.9","0.3","100","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O8 -","- C16 H26 N2 O8 -","- C32 H52 N4 O16 -","2","1","","Gérald Enderlin; Claude Taillefumier; Claude Didierjean; Yves Chapleur","An Efficient Route to Acyclic C-Nucleosides and Fused-Ring Analogues of Uridine fromexo-Glycals","Journal of Organic Chemistry","2009","74","","8388","8391","10.1021/jo901604w","","x-ray","0.71073","MoKα","","0.1096","0.0745","","","0.185","0.1961","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024948","7.1811","0.0004","5.3996","0.0003","15.6994","0.001","90","","91.705","0.003","90","","608.48","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Gérald Enderlin; Claude Taillefumier; Claude Didierjean; Yves Chapleur","An Efficient Route to Acyclic C-Nucleosides and Fused-Ring Analogues of Uridine fromexo-Glycals","Journal of Organic Chemistry","2009","74","","8388","8391","10.1021/jo901604w","","x-ray","0.71073","MoKα","","0.0445","0.0365","","","0.0945","0.1","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024949","7.8862","0.0002","39.4824","0.0012","10.0829","0.0003","90","","93.878","0.002","90","","3132.29","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F N2 -","- C21 H17 F N2 -","- C168 H136 F8 N16 -","8","2","","Craig J. Richmond; Roslyn M. Eadie; Alexis D. C. Parenty; Leroy Cronin","Fine Tuning Reactivity: Synthesis and Isolation of 1,2,3,12b-Tetrahydroimidazo[1,2-f]phenanthridines","Journal of Organic Chemistry","2009","74","","8196","8202","10.1021/jo901622e","","","0.71073","MoKα","","0.1018","0.0485","","","0.0912","0.1161","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024950","8.9242","0.0003","9.0229","0.0003","19.8217","0.0008","91.739","0.002","92.412","0.002","117.762","0.002","1408.85","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N4 O4 Pd -","- C28 H40 N4 O4 Pd -","- C56 H80 N8 O8 Pd2 -","2","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0319","0.0269","","","0.0633","0.0639","","","","","","1.541","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024951","12.1919","0.0005","13.4354","0.0006","25.0193","0.0011","90","","90","","90","","4098.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H31 N4 O4.5 Pd -","- C17.5 H31 N4 O4.5 Pd -","- C140 H248 N32 O36 Pd8 -","8","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0491","0.0321","","","0.0686","0.07","","","","","","2.106","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4024952","23.8516","0.0008","12.797","0.0004","24.0205","0.0008","90","","90","","90","","7331.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cl4 N2 O4 Pd -","- C32 H46 Cl4 N2 O4 Pd -","- C256 H368 Cl32 N16 O32 Pd8 -","8","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0624","0.0319","","","0.053","0.055","","","","","","1.441","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4024953","13.9802","0.0006","13.117","0.0006","17.1335","0.0007","90","","91.484","0.002","90","","3140.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F6 N2 O4 Pd -","- C30 H36 F6 N2 O4 Pd -","- C120 H144 F24 N8 O16 Pd4 -","4","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0746","0.0476","","","0.0851","0.0891","","","","","","1.637","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024954","8.7011","0.0004","10.9491","0.0004","18.5054","0.0007","90","","90","","90","","1762.99","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O4 Pd -","- C17 H29 N3 O4 Pd -","- C68 H116 N12 O16 Pd4 -","4","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.041","0.0283","","","0.0372","0.0383","","","","","","1.624","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024955","25.253","0.003","8.3071","0.0011","16.289","0.002","90","","117.351","0.002","90","","3035.1","0.7","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 I N O4 S -","- C14 H14 I N O4 S -","- C112 H112 I8 N8 O32 S8 -","8","1","","Artur K. Mailyan; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Oxidative Reactivity of N-(2-Iodylphenyl)tosylamides and 2-Iodylphenyl Tosylate: Iodylarenes Stabilized by Ortho-Substitution with a Sulfonyl Group","Journal of Organic Chemistry","2009","74","","8444","8447","10.1021/jo901638f","","","0.71073","MoKα","","0.0433","0.0232","","0.0492","0.0405","0.0376","","","","","","0.8979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024956","12.081","0.003","12.384","0.002","23.637","0.003","105.044","0.014","91.322","0.014","95.205","0.016","3397.1","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H89 N6 O8 -","- C74 H89 N6 O8 -","- C148 H178 N12 O16 -","2","1","","Roymon Joseph; Balaji Ramanujam; Amitabha Acharya; Chebrolu P. Rao","Lower Rim 1,3-Di{bis(2-picolyl)}amide Derivative of Calix[4]arene (L) as Ratiometric Primary Sensor toward Ag+ and the Complex of Ag+ as Secondary Sensor toward Cys: Experimental, Computational, and Microscopy Studies and INHIBIT Logic Gate Properties of L","Journal of Organic Chemistry","2009","74","","8181","8190","10.1021/jo901676s","","","0.71073","MoKα","","0.1948","0.0956","","","0.252","0.2961","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024957","12.022","0.002","9.727","0.002","18.519","0.002","90","","96.59","0.01","90","","2151.3","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound JB236","","","- C20 H31 N3 O4 -","- C40 H44 N6 O8 -","- C80 H88 N12 O16 -","2","1","","José Luis Baeza; Guillermo Gerona-Navarro; Kevin Thompson; M. Jesús Pérez de Vega; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez","Further Evidence for 2-Alkyl-2-carboxyazetidines as γ-Turn Inducers","Journal of Organic Chemistry","2009","74","","8203","8211","10.1021/jo901712x","","x-ray","1.5418","CuKα","","0.0642","0.058","","","0.1532","0.1586","","","","","","1.048","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024958","7.2022","0.0009","10.808","0.0013","15.863","0.002","90","","99.586","0.002","90","","1217.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br2 N -","- C12 H13 Br2 N -","- C48 H52 Br8 N4 -","4","1","","Grant R. Krow; Ram Edupuganti; Deepa Gandla; Amit Choudhary; Guoliang Lin; Philip E. Sonnet; Charles DeBrosse; Charles W. Ross; Kevin C. Cannon; Ronald T. Raines","5(6)-anti-Substituted-2-azabicyclo[2.1.1]hexanes: A Nucleophilic Displacement Route","Journal of Organic Chemistry","2009","74","","8232","8242","10.1021/jo901725k","","","0.71073","MoKα","","0.0343","0.0286","","","0.0717","0.0759","","","","","","1.067","","","","has coordinates","287935","2023-12-01","15:07:07",""
"4024959","9.482","0.005","15.891","0.008","14.949","0.008","90","","91.943","0.008","90","","2251","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H57 F3 N7 O13 S -","- C40 H57 F3 N7 O13 S -","- C80 H114 F6 N14 O26 S2 -","2","1","","Maximillian E. Mahoney; Allen Oliver; Ólöf Einarsdóttir; Joseph P. Konopelski","Synthesis of a Cyclic Pentapeptide Mimic of the Active Site His-Tyr Cofactor of Cytochrome c Oxidase","Journal of Organic Chemistry","2009","74","","8212","8218","10.1021/jo901744y","","","0.7749","synchrotron","","0.1504","0.0845","","","0.1995","0.2432","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024960","9.6761","0.0008","10.4335","0.0008","14.268","0.0006","90","","90","","90","","1440.43","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.0403","0.0327","","","0.0744","0.0765","","","","","","1.037","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024961","7.3253","0.0007","11.185","0.003","11.3358","0.0018","113.131","0.006","99.921","0.007","106.091","0.009","778","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.0758","0.0445","","","0.0961","0.1048","","","","","","0.988","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024962","9.8165","0.0007","9.4087","0.0007","32.345","0.002","90","","97.08","0.003","90","","2964.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.1111","0.0418","","","0.0732","0.085","","","","","","0.829","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024963","7.0765","0.0004","8.2352","0.0003","14.3819","0.0007","76.319","0.003","83.423","0.002","88.469","0.002","808.99","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.0639","0.041","","","0.0975","0.1071","","","","","","1.063","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024964","19.205","0.015","5.6691","0.0007","14.706","0.01","90","","109.68","0.03","90","","1507.6","1.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Ines Bergner; Christine Wiebe; Nino Meyer; Till Opatz","Cyclocondensation of α-Aminonitriles and Enones: A Short Access to 3,4-Dihydro-2H-pyrrole 2-carbonitriles and 2,3,5-Trisubstituted Pyrroles","Journal of Organic Chemistry","2009","74","","8243","8253","10.1021/jo901759u","","","1.54178","CuKα","","0.1392","0.072","","","0.1714","0.2071","","","","","","1.031","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024965","12.4226","0.0004","8.2183","0.0003","33.1768","0.0011","90","","92.5643","0.0015","90","","3383.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C168 H120 Br8 N16 -","8","2","","Ines Bergner; Christine Wiebe; Nino Meyer; Till Opatz","Cyclocondensation of α-Aminonitriles and Enones: A Short Access to 3,4-Dihydro-2H-pyrrole 2-carbonitriles and 2,3,5-Trisubstituted Pyrroles","Journal of Organic Chemistry","2009","74","","8243","8253","10.1021/jo901759u","","","0.71073","MoKα","","0.0648","0.0419","","","0.0947","0.1058","","","","","","1.017","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024966","8.8072","0.0011","9.2438","0.0016","12.3485","0.0018","105.775","0.014","101.242","0.012","92.776","0.012","943.4","0.3","108","2","108","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker","Cage Hydrocarbons Derived from Dibenzosuberenone","Journal of Organic Chemistry","2009","74","","8355","8358","10.1021/jo9018057","","","0.71073","MoKα","","0.0603","0.0387","","","0.0892","0.0944","","","","","","0.933","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024967","8.384","0.004","19.596","0.011","11.798","0.007","90","","90","","90","","1938.4","1.7","108","2","108","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","0.5","","Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker","Cage Hydrocarbons Derived from Dibenzosuberenone","Journal of Organic Chemistry","2009","74","","8355","8358","10.1021/jo9018057","","","0.71073","MoKα","","0.1029","0.0416","","","0.0689","0.0774","","","","","","0.829","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024968","8.9075","0.0006","15.35","0.001","31.4301","0.0019","90","","94.193","0.005","90","","4285.9","0.5","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C240 H160 Cl16 -","8","2","","Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker","Cage Hydrocarbons Derived from Dibenzosuberenone","Journal of Organic Chemistry","2009","74","","8355","8358","10.1021/jo9018057","","","0.71073","MoKα","","0.0739","0.0548","","","0.1319","0.1395","","","","","","1.013","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024969","7.8454","0.0002","9.7552","0.0003","11.3075","0.0003","81.061","0.002","75.932","0.002","89.738","0.002","828.75","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","9β,11β-epoxy-16β-methylandrost-1,4-diene-3,17-dione","","- C20 H24 O3 -","- C20 H24 O3 -","- C40 H48 O6 -","2","2","","Rui M. A. Pinto; Jorge A. R. Salvador; Christophe Le Roux; José A. Paixão","Bismuth(III) Triflate-Catalyzed Direct Conversion of Corticosteroids into Highly Functionalized 17-Ketosteroids by Cleavage of the C17-Dihydroxyacetone Side Chain","Journal of Organic Chemistry","2009","74","","8488","8491","10.1021/jo9018478","","","0.71073","MoKα","","0.0864","0.0668","","","0.1395","0.1493","","","","","","1.109","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024970","9.2178","0.001","10.9974","0.0012","12.3831","0.0013","79.964","0.002","71.839","0.002","89.979","0.002","1172.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C48 H58 N2 O12 -","2","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Rhodium-Catalyzed Synthesis of 3-Hydroxy-β-lactams via Oxonium Ylide Generation: Three-Component Reaction between Azetidine-2,3-diones, Ethyl Diazoacetate, and Alcohols","Journal of Organic Chemistry","2009","74","","8421","8424","10.1021/jo9019013","","","0.71073","MoKα","","0.1113","0.0558","","","0.1507","0.1764","","","","","","1.005","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024971","5.5776","0.0007","13.9511","0.0017","25.656","0.003","90","","90","","90","","1996.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O7 -","- C19 H25 N O7 -","- C76 H100 N4 O28 -","4","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Rhodium-Catalyzed Synthesis of 3-Hydroxy-β-lactams via Oxonium Ylide Generation: Three-Component Reaction between Azetidine-2,3-diones, Ethyl Diazoacetate, and Alcohols","Journal of Organic Chemistry","2009","74","","8421","8424","10.1021/jo9019013","","","0.71073","MoKα","","0.1735","0.0464","","","0.0832","0.106","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024972","14.6494","0.0014","6.6182","0.0006","17.2122","0.0016","90","","99.662","0.001","90","","1645.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F N O2 -","- C20 H16 F N O2 -","- C80 H64 F4 N4 O8 -","4","1","","Ramakrishna R. Pidaparthi; Christopher S. Junker; Mark E. Welker; Cynthia S. Day; Marcus W. Wright","Preparation of 2-Silicon-Substituted 1,3-Dienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2009","74","","8290","8297","10.1021/jo901919m","","","0.71073","MoKα","","0.0775","0.0587","","","0.1539","0.169","","","","","","1.047","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024973","10.141","0.008","12.072","0.01","21.29","0.014","90","","95.56","0.02","90","","2594","3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 K N2 O6 Si -","- C28 H23 K N2 O6 Si -","- C112 H92 K4 N8 O24 Si4 -","4","1","","Ramakrishna R. Pidaparthi; Christopher S. Junker; Mark E. Welker; Cynthia S. Day; Marcus W. Wright","Preparation of 2-Silicon-Substituted 1,3-Dienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2009","74","","8290","8297","10.1021/jo901919m","","","0.71073","MoKα","","0.1146","0.0749","","","0.1407","0.157","","","","","","1.085","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024974","14.9852","0.0008","5.7581","0.0003","26.3143","0.0012","90","","90","","90","","2270.6","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methoxy-2-phenylbenzofuran","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Ikyon Kim; Kyungsun Kim; Jungeun Choi","A Direct Approach to 5-Hydroxybenzofurans via a Platinum-Catalyzed Domino Rearrangement/5-endo-dig Cyclization Reaction of Quinols","Journal of Organic Chemistry","2009","74","","8492","8495","10.1021/jo901937u","","","0.71073","MoKα","","0.0892","0.0408","","","0.0951","0.1135","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024975","13.6138","0.0002","15.0083","0.0003","5.7777","0.0001","90","","101.381","0.001","90","","1157.29","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-fluorophenyl)-5-methoxybenzofuran ?","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","","Ikyon Kim; Kyungsun Kim; Jungeun Choi","A Direct Approach to 5-Hydroxybenzofurans via a Platinum-Catalyzed Domino Rearrangement/5-endo-dig Cyclization Reaction of Quinols","Journal of Organic Chemistry","2009","74","","8492","8495","10.1021/jo901937u","","","0.71073","MoKα","","0.0853","0.0445","","","0.1057","0.1234","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024976","8.593","0.003","9.357","0.003","13.962","0.004","77.432","0.003","79.852","0.003","74.786","0.002","1048.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis(3,3,3-triphenylpropynyl)pyridine","","- C55 H49 N O2 -","- C55 H49 N O2 -","- C55 H49 N O2 -","1","0.5","","Braulio Rodriguez-Molina; Ma. Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Miguel A. García-Garibay","Synthesis, Characterization, and Rotational Dynamics of Crystalline Molecular Compasses with N-Heterocyclic Rotators","Journal of Organic Chemistry","2009","74","","8554","8565","10.1021/jo901261j","","","0.71073","MoKα","","0.0929","0.0599","","","0.1527","0.1729","","","","","","1.064","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024977","9.0114","0.0001","15.1195","0.0002","24.9752","0.0005","90","","95.069","0.001","90","","3389.51","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-Bis(3,3,3-triphenylpropynyl)pyridazine","","- C46 H32 N2 -","- C46 H32 N2 -","- C184 H128 N8 -","4","1","","Braulio Rodriguez-Molina; Ma. Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Miguel A. García-Garibay","Synthesis, Characterization, and Rotational Dynamics of Crystalline Molecular Compasses with N-Heterocyclic Rotators","Journal of Organic Chemistry","2009","74","","8554","8565","10.1021/jo901261j","","x-ray","0.71073","MoKα","","0.1403","0.0531","","","0.1219","0.152","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024978","14.4478","0.0003","18.0104","0.0003","14.8609","0.0004","90","","100.879","0.001","90","","3797.47","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-Bis(3,3,3-triphenylpropynyl)pyridazine","","- C47 H33 Cl3 N2 -","- C47 H33 Cl3 N2 -","- C188 H132 Cl12 N8 -","4","1","","Braulio Rodriguez-Molina; Ma. Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Miguel A. García-Garibay","Synthesis, Characterization, and Rotational Dynamics of Crystalline Molecular Compasses with N-Heterocyclic Rotators","Journal of Organic Chemistry","2009","74","","8554","8565","10.1021/jo901261j","","x-ray","0.71073","MoKα","","0.133","0.0543","","","0.1268","0.1534","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024979","13.737","0.006","17.351","0.007","18.478","0.007","77.142","0.006","80.899","0.006","79.827","0.007","4194","3","172","2","172","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.38 H28.77 Cl0.77 Co4 O16 -","- C38.385 H28.77 Cl0.77 Co4 O16 -","- C153.54 H115.08 Cl3.08 Co16 O64 -","4","2","","Gagik G. Melikyan; Ryan Spencer; Edwin Abedi","Stereoselective Synthesis of meso-1,5-Cyclodecadiynes","Journal of Organic Chemistry","2009","74","","8541","8546","10.1021/jo901404f","","","0.71073","MoKα","","0.2961","0.0995","","","0.1591","0.2065","","","","","","1.064","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024980","13.9575","0.0007","10.1923","0.0005","30.3753","0.0015","90","","90","","90","","4321.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Gagik G. Melikyan; Ryan Spencer; Edwin Abedi","Stereoselective Synthesis of meso-1,5-Cyclodecadiynes","Journal of Organic Chemistry","2009","74","","8541","8546","10.1021/jo901404f","","","1.54178","CuKα","","0.0369","0.0327","","","0.0919","0.0952","","","","","","1.026","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024981","15.2986","0.0013","16.151","0.0014","16.5026","0.0014","81.776","0.002","72.796","0.002","86.114","0.002","3853.7","0.6","100","2","100","2","","","","","","","","2","P -1","-P 1","2","tetra(2,4,6-trimethylphenyl)pyrene","tetra(2,4,6-trimethylphenyl)pyrene","","- C94 H127 -","- C94 H127 -","- C188 H254 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1683","0.0941","","","0.2214","0.2619","","","","","","1.062","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024982","12.0829","0.001","15.8966","0.0014","15.9811","0.0014","107.21","0.002","102.618","0.002","92.657","0.002","2841","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","tetra(2,4,6-trimethylphenyl)pyrene","tetra(2,4,6-trimethylphenyl)pyrene","","- C72 H86 -","- C72 H86 -","- C144 H172 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1623","0.0942","","","0.2309","0.2097","","","","","","1.07","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024983","14.0028","0.0012","16.0352","0.0014","20.1183","0.0018","84.479","0.002","76.184","0.002","87.802","0.002","4365.7","0.7","100","2","100","2","","","","","","","","2","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C227 H207 -","- C227 H207 -","- C227 H207 -","1","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1109","0.082","","","0.2339","0.2558","","","","","","1.047","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024984","27.309","0.002","16.35","0.0013","39.232","0.003","90","","100.78","0.002","90","","17208","3","100","2","100","2","","","","","","","","2","P 1 2/n 1","-P 2yac","13","tetra(2,4,6-trimethylphenyl)pyrene","tetra(2,4,6-trimethylphenyl)pyrene","","- C113 H112 -","- C113 H112 -","- C904 H896 -","8","2","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1304","0.0849","","","0.0938","0.1073","","","","","","1.031","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024985","12.2951","0.0012","17.3523","0.0017","11.3956","0.001","90","","100.255","0.002","90","","2392.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C56 H62 O4 S2 -","- C56 H62 O4 S2 -","- C112 H124 O8 S4 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0652","0.046","","","0.1138","0.1229","","","","","","1.044","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024986","17.706","0.008","11.613","0.005","25.186","0.011","90","","90","","90","","5179","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H52 Cl6 O4 -","- C54.002 H52.002 Cl6.006 O4 -","- C216.008 H208.008 Cl24.024 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.156","0.0895","","","0.2471","0.2879","","","","","","1.061","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024987","17.6358","0.0012","11.6978","0.0008","25.0919","0.0018","90","","90","","90","","5176.5","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H50 Cl8 O4 -","- C54 H50 Cl8 O4 -","- C216 H200 Cl32 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.072","0.0584","","","0.1573","0.1693","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024988","7.8862","0.0019","21.289","0.005","15.369","0.004","90","","95.306","0.005","90","","2569.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C56 H58 Cl4 O4 -","- C56 H58 Cl4 O4 -","- C112 H116 Cl8 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1202","0.0615","","","0.147","0.1694","","","","","","1.023","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024989","12.0718","0.0014","14.7862","0.0016","14.424","0.0017","90","","95.414","0.002","90","","2563.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H66 O8 -","- C62 H66 O8 -","- C124 H132 O16 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0781","0.0545","","","0.1281","0.1394","","","","","","1.032","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024990","11.613","0.004","12.944","0.004","15.986","0.005","91.282","0.006","90.183","0.006","97.556","0.005","2381.5","1.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C60 H66 O6 -","- C60 H66 O6 -","- C120 H132 O12 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0856","0.0687","","","0.2072","0.25","","","","","","1.06","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024991","35.02","0.009","10.61","0.002","21.237","0.007","90","","120.837","0.008","90","","6775","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C76 H94 Cl4 O4 -","- C76 H94 Cl4 O4 -","- C304 H376 Cl16 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1246","0.0791","","","0.1931","0.2149","","","","","","1.044","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024992","34.929","0.005","10.6781","0.0014","21.169","0.004","90","","120.491","0.006","90","","6803.6","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C76 H94 Br4 O4 -","- C76 H94 Br4 O4 -","- C304 H376 Br16 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1625","0.0867","","","0.2166","0.2524","","","","","","1.048","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024993","20.317","0.004","21.978","0.004","22.803","0.004","90","","108.346","0.006","90","","9665","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H66 O6 -","- C64 H66 O6 -","- C512 H528 O48 -","8","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1362","0.0848","","","0.2056","0.2332","","","","","","1.033","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024994","36.839","0.007","10.4561","0.0018","21.481","0.005","90","","122.196","0.006","90","","7002","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C84 H114 O4 -","- C84 H114 O4 -","- C336 H456 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.115","0.0787","","","0.2022","0.2265","","","","","","1.046","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024995","7.3439","0.0007","14.2407","0.0013","24.072","0.002","90","","98.076","0.002","90","","2492.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H70 O4 -","- C62 H70 O4 -","- C124 H140 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0647","0.0488","","","0.1227","0.132","","","","","","1.054","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024996","7.6191","0.0011","20.742","0.003","19.84","0.003","90","","97.506","0.003","90","","3108.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C76 H94 O4 -","- C76 H94 O4 -","- C152 H188 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1102","0.0765","","","0.2005","0.2282","","","","","","1.055","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024997","15.5223","0.0015","10.7914","0.001","19.2348","0.0018","90","","100.249","0.002","90","","3170.6","0.5","298","2","298","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C41 H43 O2 -","- C41 H43 O2 -","- C164 H172 O8 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.146","0.0869","","","0.225","0.2607","","","","","","1.051","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024998","7.3082","0.0008","14.4393","0.0016","23.831","0.003","90","","97.946","0.002","90","","2490.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H68 O4 -","- C62 H68 O4 -","- C124 H136 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.111","0.0744","","","0.1873","0.2118","","","","","","1.034","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024999","7.437","0.005","14.667","0.01","24.193","0.017","90","","98.246","0.015","90","","2612","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C61 H57 N O4 -","- C61 H67 N O4 -","- C122 H134 N2 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1855","0.0814","","","0.1742","0.2133","","","","","","1.066","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4025000","11.413","0.004","15.265","0.005","14.72","0.005","90","","92.546","0.006","90","","2561.9","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H62 O4 -","- C64 H62 O4 -","- C128 H124 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0932","0.0575","","","0.1415","0.1567","","","","","","1.035","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025001","23.454","0.003","15.33","0.002","14.843","0.002","90","","103.795","0.003","90","","5182.8","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C66 H66 O4 -","- C66 H66 O4 -","- C264 H264 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1174","0.0613","","","0.1175","0.1338","","","","","","1.021","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025002","14.211","0.003","14.819","0.004","14.633","0.004","90","","116.688","0.004","90","","2753.3","1.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C68 H62 O4 -","- C68 H62 O4 -","- C136 H124 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0992","0.0579","","","0.1394","0.1567","","","","","","1.053","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025003","20.637","0.003","21.858","0.003","22.694","0.003","90","","108.444","0.004","90","","9711","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C119 H109 Cl3 N2 O8 -","- C118 H108 N2 O8 -","- C472 H432 N8 O32 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1131","0.0794","","","0.1976","0.2167","","","","","","1.019","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025004","12.193","0.004","15.237","0.004","14.271","0.004","90","","94.515","0.006","90","","2643.1","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H60 N2 O8 -","- C64 H60 N2 O8 -","- C128 H120 N4 O16 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0921","0.0564","","","0.1302","0.1463","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025005","19.6","0.002","9.8101","0.0012","28.475","0.004","90","","90","","90","","5475","1.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C70 H64 N2 O4 -","- C70 H64 N2 O4 -","- C280 H256 N8 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0672","0.0528","","","0.1217","0.1309","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025006","14.829","0.004","15.582","0.005","23.732","0.007","90","","90","","90","","5484","3","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C68 H70 O4 -","- C68 H70 O4 -","- C272 H280 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1476","0.0793","","","0.1535","0.1791","","","","","","1.033","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4025007","13.591","0.0019","15.234","0.002","13.934","0.002","90","","114.081","0.002","90","","2634","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C24 H24 O1.6 -","- C24 H24 O1.6 -","- C120 H120 O8 -","5","1.25","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.086","0.0563","","","0.1534","0.1833","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025008","12.918","0.0014","15.7692","0.0018","14.2495","0.0015","90","","106.017","0.002","90","","2790","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C70 H74 O4 -","- C70 H74 O4 -","- C140 H148 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0751","0.0546","","","0.1282","0.1377","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025009","33.366","0.007","14.944","0.003","14.68","0.003","90","","92.348","0.006","90","","7314","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C94 H85 O4 -","- C94 H85 O4 -","- C376 H340 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1342","0.0769","","","0.1848","0.2121","","","","","","1.06","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025010","9.7575","0.0008","22.8431","0.0017","22.4357","0.0017","90","","98.817","0.002","90","","4941.6","0.7","100","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H60 O5 -","- C64 H60 O5 -","- C256 H240 O20 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1138","0.0629","","","0.1286","0.1459","","","","","","1.029","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025011","14.227","0.002","14.854","0.003","14.478","0.003","90","","117.304","0.003","90","","2718.8","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C72 H66 O4 -","- C72 H66 O4 -","- C144 H132 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1138","0.0896","","","0.2413","0.2678","","","","","","1.087","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025012","13.591","0.0019","15.234","0.002","13.934","0.002","90","","114.081","0.002","90","","2634","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C70 H64 O4 -","- C70 H64 O4 -","- C140 H128 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1175","0.0874","","","0.2193","0.2401","","","","","","1.014","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025013","20.1544","0.0014","15.6127","0.0011","13.6631","0.001","90","","100.848","0.001","90","","4222.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C26 H25 O2 -","- C26 H25 O2 -","- C208 H200 O16 -","8","2","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1011","0.0672","","","0.1666","0.1838","","","","","","1.053","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025014","12.243","0.002","14.796","0.003","20.319","0.004","83.209","0.003","78.06","0.003","71.036","0.003","3400.6","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-isopropylphenyl)pyrene","tetra(2,6-dimethyl-4-isopropylphenyl)pyrene","","- C84 H96 O4 -","- C84 H96 O4 -","- C168 H192 O8 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1225","0.0672","","","0.1328","0.1534","","","","","","1.024","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025015","9.9824","0.0019","21.14","0.004","21.342","0.004","90","","98.342","0.004","90","","4455.9","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C24.89 H24 O1.78 -","- C24.8889 H24 O1.77778 -","- C224 H216 O16 -","9","2.25","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1169","0.0697","","","0.2073","0.2095","","","","","","1.055","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025016","17.038","0.001","22.0085","0.0013","21.7584","0.0012","90","","110.527","0.001","90","","7640.9","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","","- C92 H124 O4 -","- C92 H124 O4 -","- C368 H496 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.174","0.0929","","","0.2008","0.2349","","","","","","1.065","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025017","29.225","0.002","11.0806","0.0009","21.7721","0.0017","90","","90","","90","","7050.5","1","100","2","100","2","","","","","","","","3","P c c a","-P 2a 2ac","54","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C86 H112 O4 -","- C86 H112 O4 -","- C344 H448 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1458","0.083","","","0.207","0.2388","","","","","","1.055","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025018","14.388","0.002","18.329","0.002","20.827","0.003","90","","110.205","0.003","90","","5154.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C63 H65 Cl3 O4 -","- C62 H64 O4 -","- C248 H256 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1814","0.106","","","0.2804","0.3315","","","","","","1.117","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025019","19.747","0.006","16.708","0.005","16.419","0.005","90","","105.485","0.007","90","","5220","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","","- C126 H124 N2 O8 -","- C126 H124 N2 O8 -","- C252 H248 N4 O16 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1911","0.0901","","","0.2438","0.3005","","","","","","0.947","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025020","8.4846","0.0011","11.1538","0.0015","15.236","0.002","69.813","0.002","82.882","0.002","83.346","0.003","1338.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C72 H68 O4 -","- C72 H68 O4 -","- C72 H68 O4 -","1","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0844","0.0596","","","0.1519","0.1696","","","","","","1.053","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025021","7.2689","0.0008","24.51","0.003","11.8999","0.0013","90","","103.818","0.002","90","","2058.7","0.4","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","2,4-bis(mesityl)m-xylene","2,4-bis(mesityl)m-xylene","","- C26 H30 -","- C26 H30 -","- C104 H120 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0795","0.0579","","","0.1246","0.1339","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025022","8.005","0.0014","24.057","0.004","12.01","0.002","90","","98.904","0.003","90","","2285","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dimethylresorcinol","bis(2,6-dimethyl-4-methoxyphenyl)dimethylresorcinol","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0782","0.0623","","","0.1555","0.173","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025023","9.964","0.002","14.502","0.003","16.876","0.003","75.86","0.03","79.25","0.03","75.07","0.03","2264.9","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H55 N5 -","- C56 H41 N5 -","- C112 H82 N10 -","2","1","","Norbert Grzegorzek; Miłosz Pawlicki; Lechosław Latos-Grażyński","Regioselective Amination of Carbaporpholactone and N-Confused Porphyrin","Journal of Organic Chemistry","2009","74","","8547","8553","10.1021/jo901508v","","","1.54178","CuKα","","0.1106","0.0567","","","0.1506","0.169","","","","","","1.075","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025024","5.577","0.0003","16.9946","0.001","13.0891","0.0008","90","","92.842","0.001","90","","1239.04","0.12","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0593","0.0492","","","0.0863","0.0878","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025025","17.9005","0.0011","5.8609","0.0004","25.563","0.0016","90","","90","","90","","2681.9","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C112 H104 Cl8 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.055","0.0452","","","0.0796","0.081","","","","","","1.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025026","10.4867","0.0004","25.6129","0.0009","12.1381","0.0005","90","","90.252","0.001","90","","3260.2","0.2","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","2","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0894","0.0685","","","0.1347","0.1381","","","","","","1.949","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025027","6.9919","0.0003","7.435","0.0003","13.1352","0.0005","81.573","0.001","74.927","0.001","86.963","0.001","652.14","0.05","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C28 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0436","0.0406","","","0.114","0.1148","","","","","","2.257","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025028","7.3779","0.0004","22.607","0.0012","7.9039","0.0004","90","","90","","90","","1318.31","0.12","180","1","180","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C56 H52 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0345","0.0333","","","0.0703","0.0705","","","","","","1.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025029","12.6729","0.0006","17.6509","0.0008","5.9633","0.0003","90","","90","","90","","1333.92","0.11","180","1","180","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.043","0.0393","","","0.0687","0.069","","","","","","1.751","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025030","7.065","0.0004","26.7547","0.0014","8.9248","0.0005","90","","92.108","0.001","90","","1685.84","0.16","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0637","0.0499","","","0.0825","0.0841","","","","","","1.768","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025031","17.6881","0.0009","5.8655","0.0003","27.0846","0.0015","90","","90","","90","","2810","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cl2 O4 -","- C14 H12 Cl2 O4 -","- C112 H96 Cl16 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0425","0.0364","","","0.0745","0.0759","","","","","","1.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025032","7.5024","0.0003","7.9694","0.0003","12.8485","0.0004","74.347","0.001","77.51","0.001","77.066","0.001","710.94","0.04","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Cl2 O4 -","- C14 H12 Cl2 O4 -","- C28 H24 Cl4 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0405","0.0367","","","0.1012","0.1024","","","","","","1.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025033","12.4109","0.0005","7.3211","0.0003","14.74","0.0005","90","","111.371","0.001","90","","1247.21","0.08","180","1","180","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0488","0.0443","","","0.1081","0.1093","","","","","","1.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025034","7.1614","0.0003","7.8727","0.0003","12.7902","0.0005","76.021","0.001","74.192","0.001","78.317","0.001","666.03","0.05","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0399","0.0375","","","0.1183","0.1198","","","","","","1.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025035","7.2743","0.0004","7.3437","0.0004","12.4759","0.0006","84.893","0.001","77.594","0.001","86.905","0.001","647.9","0.06","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0462","0.0391","","","0.0761","0.0771","","","","","","1.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025036","8.0094","0.0004","9.2974","0.0005","10.0005","0.0005","101.999","0.001","105.978","0.001","106.012","0.001","654.89","0.06","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0408","0.0382","","","0.1076","0.1085","","","","","","1.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025037","7.7985","0.0005","23.3395","0.0014","7.5683","0.0005","90","","93.53","0.001","90","","1374.92","0.15","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0552","0.0405","","","0.0679","0.0695","","","","","","1.471","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025038","6.0602","0.0002","13.2865","0.0009","18.6571","0.001","90","","90","","90","","1502.25","0.14","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl O4 -","- C16 H19 Cl O4 -","- C64 H76 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0976","0.0587","","","0.1311","0.1545","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025039","6.3016","0.0001","13.5401","0.0005","18.7259","0.0007","90","","90","","90","","1597.77","0.09","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0686","0.0464","","","0.1074","0.1207","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025040","9.856","0.002","7.3947","0.0018","11.096","0.002","90","","101.068","0.018","90","","793.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","0.5","","Jui-Chi Tsai; Sie-Rong Li; Michael Y. Chiang; Lian-Yeu Chen; Po-Yuan Chen; Yi-Fang Lo; Chen-Hao Wang; Chun-Nan Lin; Eng-Chi Wang","Synthesis of 3-Alkoxymethylcoumarin from 3-Cyanochromene via a Novel Intermediate 2-Phenylimino-3-alkoxymethylchromene","Journal of Organic Chemistry","2009","74","","8798","8801","10.1021/jo9015634","","","0.71073","MoKα","","0.0536","0.0409","","","0.1224","0.1332","","","","","","1.069","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025041","20.763","0.004","10.506","0.002","19.102","0.004","90","","90","","90","","4167","1.4","293","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H22 N8 -","- C23 H22 N8 -","- C184 H176 N64 -","8","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0758","0.0446","","","0.0993","0.1102","","","","","","1.043","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025042","22.734","0.005","10.295","0.002","17.953","0.004","90","","112.86","0.03","90","","3871.7","1.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N8 -","- C22 H20 N8 -","- C176 H160 N64 -","8","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0903","0.0716","","","0.1489","0.1569","","","","","","1.202","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025043","13.971","0.003","9.757","0.002","17.757","0.004","90","","102.14","0.03","90","","2366.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N8 O3 -","- C23 H28 N8 O3 -","- C92 H112 N32 O12 -","4","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0622","0.0545","","","0.1199","0.125","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025044","9.0201","0.0018","11.398","0.002","25.984","0.006","90","","108.07","0.03","90","","2539.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N8 O4 -","- C24 H32 N8 O4 -","- C96 H128 N32 O16 -","4","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0946","0.0842","","","0.1854","0.1908","","","","","","1.245","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025045","12.17","0.02","17.79","0.03","29.23","0.05","90","","90","","90","","6328","18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H89 N15 O25 -","- C51 H75 N15 O25 -","- C204 H300 N60 O100 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Polyaza Cryptand Receptor Selective for Dihydrogen Phosphate","Journal of Organic Chemistry","2009","74","","8638","8646","10.1021/jo901742d","","","0.71073","MoKα","","0.124","0.0729","","","0.1847","0.2109","","","","","","1.021","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025046","13.1972","0.0004","15.0825","0.0005","19.0406","0.0005","84.423","0.002","79.896","0.002","79.271","0.002","3657.8","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H93 N9 O34 P4 -","- C51 H75 N9 O34 P4 -","- C102 H150 N18 O68 P8 -","2","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Polyaza Cryptand Receptor Selective for Dihydrogen Phosphate","Journal of Organic Chemistry","2009","74","","8638","8646","10.1021/jo901742d","","","0.71073","MoKα","","0.1185","0.0745","","","0.1895","0.2211","","","","","","1.038","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025047","12.8516","0.0017","15.2203","0.0019","33.144","0.004","90","","91.517","0.006","90","","6480.9","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H95 N9 O26 S4 -","- C51 H95 N9 O26 S4 -","- C204 H380 N36 O104 S16 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Polyaza Cryptand Receptor Selective for Dihydrogen Phosphate","Journal of Organic Chemistry","2009","74","","8638","8646","10.1021/jo901742d","","","0.71073","MoKα","","0.0741","0.0494","","","0.136","0.1553","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4025048","11.1345","0.0001","18.9292","0.0002","15.6921","0.0002","90","","90","","90","","3307.38","0.06","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Hart 1731","","","- C16 H26 O3 Si -","- C16 H26 O3 Si -","- C128 H208 O24 Si8 -","8","1","","Dexi Yang; Valerie Cwynar; Matthew G. Donahue; David J. Hart; Grace Mbogo","Two Approaches to Diverting the Course of a Free-Radical Cyclization: Application of Cyclopropylcarbinyl Radical Fragmentations and Allenes as Radical Acceptors","Journal of Organic Chemistry","2009","74","","8726","8732","10.1021/jo901834q","","x-ray","0.71073","MoKα","","0.0561","0.037","","","0.0919","0.0993","","","","","","1.044","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025049","12.786","0.0004","6.0794","0.0002","14.2698","0.0004","90","","99.934","0.002","90","","1092.58","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Br O -","- C13 H13 Br O -","- C52 H52 Br4 O4 -","4","1","","Jing Li; Wangqing Kong; Yihua Yu; Chunling Fu; Shengming Ma","Studies on Electrophilic Reaction of Tertiary 2,3-Allenols with NBS in H2O or Aqueous MeCN: An Efficient Selective Synthesis of 2-Bromoallylic Ketones, 1,2-Allenyl Ketones, or 3-Bromo-2,5-dihydrofurans","Journal of Organic Chemistry","2009","74","","8733","8738","10.1021/jo9018717","","","0.71073","MoKα","","0.0216","0.0204","","","0.0516","0.0524","","","","","","1.041","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025050","7.5594","0.0003","13.6697","0.0005","9.4364","0.0003","90","","93.73","0.001","90","","973.04","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O -","- C12 H12 O -","- C48 H48 O4 -","4","1","","Jing Li; Wangqing Kong; Yihua Yu; Chunling Fu; Shengming Ma","Studies on Electrophilic Reaction of Tertiary 2,3-Allenols with NBS in H2O or Aqueous MeCN: An Efficient Selective Synthesis of 2-Bromoallylic Ketones, 1,2-Allenyl Ketones, or 3-Bromo-2,5-dihydrofurans","Journal of Organic Chemistry","2009","74","","8733","8738","10.1021/jo9018717","","","0.71073","MoKα","","0.0411","0.0373","","","0.0997","0.1044","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025051","14.371","0.003","33.097","0.006","16.454","0.003","90","","98.486","0.002","90","","7740","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H77 N9 O30 -","- C82 H77 N9 O30 -","- C328 H308 N36 O120 -","4","1","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1314","0.0633","","","0.1462","0.1848","","","","","","0.981","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025052","11.0982","0.0007","15.2542","0.001","29.06","0.0019","102.749","0.001","96.537","0.001","97.012","0.001","4711.9","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C103 H106 Cl3 N3 O24 -","- C103 H106 Cl3 N3 O24 -","- C206 H212 Cl6 N6 O48 -","2","1","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1128","0.0826","","","0.237","0.2641","","","","","","1.045","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025053","11.4996","0.0007","54.937","0.003","12.8226","0.0008","90","","90","","90","","8100.7","0.8","120","","120","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C96 H102 O18 -","- C96 H102 O18 -","- C384 H408 O72 -","4","0.5","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.0742","0.0522","","","0.1195","0.1305","","","","","","1.02","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025054","10.7454","0.0012","11.3338","0.0013","14.0895","0.0016","66.501","0.001","78.233","0.001","87.074","0.001","1539.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H70 Cl6 O12 -","- C66 H70 Cl6 O12 -","- C66 H70 Cl6 O12 -","1","0.5","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.0955","0.0684","","","0.1855","0.207","","","","","","1.061","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025055","11.1208","0.0011","27.95","0.003","29.147","0.003","90","","90.863","0.001","90","","9058.6","1.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92 H89 N3 O24 -","- C92 H88.97 N3 O24 -","- C368 H355.88 N12 O96 -","4","0.5","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1","0.0726","","","0.2157","0.233","","","","","","1.079","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025056","20.852","0.003","14.75","0.0019","30.387","0.004","90","","92.455","0.002","90","","9337","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H96 Cl12 O18 -","- C93 H96 Cl12 O18 -","- C372 H384 Cl48 O72 -","4","1","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1417","0.0765","","","0.2053","0.2352","","","","","","1.03","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025057","7.3834","0.0008","22.903","0.003","8.4719","0.0009","90","","90.116","0.002","90","","1432.6","0.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Ali H. Younes; Lu Zhang; Ronald J. Clark; Lei Zhu","Fluorescence of 5-Arylvinyl-5'-Methyl-2,2'-Bipyridyl Ligands and Their Zinc Complexes","Journal of Organic Chemistry","2009","74","","8761","8772","10.1021/jo901889y","","","0.71073","MoKα","","0.0471","0.0432","","","0.109","0.112","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025058","8.681","0.006","16.982","0.012","11.343","0.008","90","","90.511","0.013","90","","1672","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","spirobisaminoester HCl salt","","","- C11 H20 Cl2 N2 O4 -","- C11 H20 Cl2 N2 O4 -","- C44 H80 Cl8 N8 O16 -","4","1","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.2342","0.0643","","","0.0953","0.131","","","","","","0.774","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4025059","10.2758","0.0006","7.1597","0.0004","16.6143","0.001","90","","92.775","0.001","90","","1220.91","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans 1,4 bis-N-CBZ-1,4-dimethyl ester","trans 1,4-bis-phenoxycarbonylamino-cyclohexane-1,4-dicarboxylic acid dimethyl ester","","- C26 H30 N2 O8 -","- C26 H30 N2 O8 -","- C52 H60 N4 O16 -","2","0.5","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.0734","0.0393","","","0.088","0.1043","","","","","","0.997","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4025060","10.7517","0.0011","36.694","0.004","9.4807","0.001","90","","115.835","0.002","90","","3366.5","0.6","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","UNGIII30","","","- C31 H47 N3 O9 -","- C31 H47 N3 O9 -","- C124 H188 N12 O36 -","4","1","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.199","0.0678","","","0.1701","0.2258","","","","","","0.895","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025061","7.7824","0.0008","9.1091","0.0009","11.1134","0.0011","98.037","0.002","106.442","0.002","100.826","0.002","726.43","0.13","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N2 O8 -","- C34 H36 N2 O8 -","- C34 H36 N2 O8 -","1","0.5","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.0794","0.0418","","","0.0787","0.0864","","","","","","0.867","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025062","15.592","0.003","5.6985","0.0011","16.475","0.003","90","","101.865","0.003","90","","1432.5","0.5","100","","100","","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C32 H36 O7 -","- C32 H36 O7 -","- C64 H72 O14 -","2","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.1469","0.0475","","","","0.0254","","","","","","1.7993","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025063","9.462","0.002","10.521","0.002","11.851","0.002","90","","113.029","0.003","90","","1085.8","0.4","100","","100","","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C44 H64 O16 -","2","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.0621","0.0352","","","","0.0303","","","","","","2.0481","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025064","26.262","0.003","26.262","0.003","5.8835","0.0007","90","","90","","90","","4057.8","0.8","100","","100","","","","","","","","synthesis","3","I 41/a :2","-I 4ad","88","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C192 H224 O32 -","16","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.0731","0.0304","","","","0.0288","","","","","","1.8176","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025065","9.6195","0.0006","9.2017","0.0006","15.6271","0.001","90","","93.652","0.001","90","","1380.44","0.15","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H42 O6 -","- C28 H42 O6 -","- C56 H84 O12 -","2","1","","J. S. Yadav; Sk. Samad Hossain; Madasu Madhu; Debendra K. Mohapatra","Formal Total Synthesis of (-)-Saliniketals","Journal of Organic Chemistry","2009","74","","8822","8825","10.1021/jo901913h","","","0.71073","MoKα","","0.0341","0.0326","","","0.0869","0.0885","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025066","7.5161","0.0014","10.5364","0.0015","18.313","0.003","90","","90","","90","","1450.2","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Rodney A. Fernandes; Asim K. Chowdhury","Total Syntheses of All Stereoisomers of Phenatic Acid B","Journal of Organic Chemistry","2009","74","","8826","8829","10.1021/jo901927w","","","0.71073","MoKα","","0.103","0.0578","","","0.0858","0.098","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025067","8.2341","0.0017","9.967","0.003","18.314","0.004","90","","90","","90","","1503","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Rodney A. Fernandes; Asim K. Chowdhury","Total Syntheses of All Stereoisomers of Phenatic Acid B","Journal of Organic Chemistry","2009","74","","8826","8829","10.1021/jo901927w","","","0.71073","MoKα","","0.0819","0.0514","","","0.1355","0.1582","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025068","29.549","0.01","5.6866","0.0018","15.507","0.005","90","","109.502","0.007","90","","2456.2","1.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","2","","Tao-Shan Jiang; Ri-Yuan Tang; Xing-Guo Zhang; Xin-Hua Li; Jin-Heng Li","Palladium-Catalyzed Intramolecular 5-exo-dig Hydroarylations of N-Arylpropiolamides: Thermodynamics-Controlled Stereoselective Synthesis of 3-Methyleneoxindoles","Journal of Organic Chemistry","2009","74","","8834","8837","10.1021/jo901963g","","","0.71073","MoKα","","0.103","0.0724","","","0.1283","0.1433","","","","","","1.043","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025069","29.549","0.01","5.6866","0.0018","15.507","0.005","90","","109.502","0.007","90","","2456.2","1.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","","Tao-Shan Jiang; Ri-Yuan Tang; Xing-Guo Zhang; Xin-Hua Li; Jin-Heng Li","Palladium-Catalyzed Intramolecular 5-exo-dig Hydroarylations of N-Arylpropiolamides: Thermodynamics-Controlled Stereoselective Synthesis of 3-Methyleneoxindoles","Journal of Organic Chemistry","2009","74","","8834","8837","10.1021/jo901963g","","","0.71073","MoKα","","0.1304","0.1013","","","0.1966","0.2101","","","","","","1.256","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025070","8.801","0.003","27.259","0.009","13.646","0.005","90","","94.24","0.006","90","","3264.7","1.9","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 Cl P2 Pd2 -","- C28 H61 Cl P2 Pd2 -","- C112 H244 Cl4 P8 Pd8 -","4","1","","Aaron D. Finke; Eric C. Elleby; Michael J. Boyd; Haim Weissman; Jeffrey S. Moore","Zinc Chloride-Promoted Aryl Bromide-Alkyne Cross-Coupling Reactions at Room Temperature","Journal of Organic Chemistry","2009","74","","8897","8900","10.1021/jo902015w","","","0.71073","MoKα","","0.0994","0.0476","","","0.0677","0.0754","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025071","9.7878","0.0014","11.0201","0.0015","12.8268","0.0017","78.217","0.003","77.396","0.003","75.968","0.002","1293.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O3 -","- C33 H30 O3 -","- C66 H60 O6 -","2","1","","Zhi-Long Hu; Wen-Jian Qian; Sheng Wang; Shaozhong Wang; Zhu-Jun Yao","Construction of Multiring Frameworks by Metal-Free Cascade Reactions of Stable Isochromenylium Tetrafluoroborate","Journal of Organic Chemistry","2009","74","","8787","8793","10.1021/jo902051g","","","0.71073","MoKα","","0.0936","0.0622","","","0.1489","0.1659","","","","","","0.894","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025072","9.7649","0.001","21.734","0.002","12.0813","0.0012","90","","95.058","0.002","90","","2554","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 O3 -","- C33 H30 O3 -","- C132 H120 O12 -","4","1","","Zhi-Long Hu; Wen-Jian Qian; Sheng Wang; Shaozhong Wang; Zhu-Jun Yao","Construction of Multiring Frameworks by Metal-Free Cascade Reactions of Stable Isochromenylium Tetrafluoroborate","Journal of Organic Chemistry","2009","74","","8787","8793","10.1021/jo902051g","","","0.71073","MoKα","","0.0818","0.0475","","","0.1183","0.1309","","","","","","0.927","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025073","14.2746","0.0013","15.1428","0.0015","10.7242","0.001","90","","111.083","0.002","90","","2162.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C108 H104 O16 -","4","1","","Zhi-Long Hu; Wen-Jian Qian; Sheng Wang; Shaozhong Wang; Zhu-Jun Yao","Construction of Multiring Frameworks by Metal-Free Cascade Reactions of Stable Isochromenylium Tetrafluoroborate","Journal of Organic Chemistry","2009","74","","8787","8793","10.1021/jo902051g","","","0.71073","MoKα","","0.1095","0.0585","","","0.1252","0.1444","","","","","","0.929","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025074","7.9151","0.0005","13.3763","0.0008","11.229","0.0007","90","","107.127","0.005","90","","1136.15","0.12","110","1","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Julie Moreau; Claudie Hubert; Jessika Batany; Loic Toupet; Thierry Roisnel; Jean-Pierre Hurvois; Jean-Luc Renaud","Metal-Free Brønsted Acid Catalyzed Formal [3 + 3] Annulation. Straightforward Synthesis of Dihydro-2H-Chromenones, Pyranones, and Tetrahydroquinolinones","Journal of Organic Chemistry","2009","74","","8963","8973","10.1021/jo901238y","","","0.71069","MoKα","","0.0457","0.0349","","","0.1068","0.1111","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025075","6.0871","0.0003","8.8078","0.0005","24.0887","0.0011","90","","90","","90","","1291.49","0.11","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Julie Moreau; Claudie Hubert; Jessika Batany; Loic Toupet; Thierry Roisnel; Jean-Pierre Hurvois; Jean-Luc Renaud","Metal-Free Brønsted Acid Catalyzed Formal [3 + 3] Annulation. Straightforward Synthesis of Dihydro-2H-Chromenones, Pyranones, and Tetrahydroquinolinones","Journal of Organic Chemistry","2009","74","","8963","8973","10.1021/jo901238y","","x-ray","0.71073","MoKα","","0.0334","0.0327","","","0.0828","0.0831","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025076","22.379","0.004","5.8742","0.001","12.425","0.002","90","","111.065","0.003","90","","1524.2","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 N2 O4 -","- C12 H12 Cl4 N2 O4 -","- C48 H48 Cl16 N8 O16 -","4","0.5","","Piron, Flavia; Vanthuyne, Nicolas; Joulin, Bérangère; Naubron, Jean-Valère; Cismaş, Crina; Terec, Anamaria; Varga, Richard Attila; Roussel, Christian; Roncali, Jean; Grosu, Ion","Synthesis, Structural Analysis, and Chiral Investigations of Some Atropisomers with EE-Tetrahalogeno-1,3-butadiene Core","Journal of Organic Chemistry","2009","74","23","9062","9070","10.1021/jo901762j","","","0.71073","MoKα","","0.0657","0.0554","","","0.1088","0.1133","","","","","","1.137","","","","has coordinates","210088","2020-10-21","18:00:00",""
"4025077","22.162","0.004","6.3307","0.001","12.776","0.002","90","","113.885","0.002","90","","1639","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br4 N2 O4 -","- C12 H12 Br4 N2 O4 -","- C48 H48 Br16 N8 O16 -","4","0.5","","Piron, Flavia; Vanthuyne, Nicolas; Joulin, Bérangère; Naubron, Jean-Valère; Cismaş, Crina; Terec, Anamaria; Varga, Richard Attila; Roussel, Christian; Roncali, Jean; Grosu, Ion","Synthesis, Structural Analysis, and Chiral Investigations of Some Atropisomers with EE-Tetrahalogeno-1,3-butadiene Core","Journal of Organic Chemistry","2009","74","23","9062","9070","10.1021/jo901762j","","","0.71073","MoKα","","0.0722","0.0585","","","0.1403","0.1486","","","","","","1.041","","","","has coordinates","210088","2020-10-21","18:00:00",""
"4025078","17.1722","0.001","11.5894","0.0007","19.7178","0.0012","90","","103.073","0.001","90","","3822.4","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I4 N2 O4 -","- C12 H11.5 I4 N2 O4 -","- C96 H92 I32 N16 O32 -","8","2","","Piron, Flavia; Vanthuyne, Nicolas; Joulin, Bérangère; Naubron, Jean-Valère; Cismaş, Crina; Terec, Anamaria; Varga, Richard Attila; Roussel, Christian; Roncali, Jean; Grosu, Ion","Synthesis, Structural Analysis, and Chiral Investigations of Some Atropisomers with EE-Tetrahalogeno-1,3-butadiene Core","Journal of Organic Chemistry","2009","74","23","9062","9070","10.1021/jo901762j","","","0.71073","MoKα","","0.0639","0.0554","","","0.1142","0.1181","","","","","","1.103","","","","has coordinates","210088","2020-10-21","18:00:00",""
"4025079","7.0073","0.0004","13.0187","0.0009","12.0229","0.0007","90","","105.946","0.004","90","","1054.6","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","ESMedin_cmpd1","","","- C25 H28 O5 -","- C25 H28 O5 -","- C50 H56 O10 -","2","1","","MinJin Kang; Brian D. Jones; Alexander L. Mandel; Justin C. Hammons; Antonio G. DiPasquale; Arnold L. Rheingold; James J. La Clair; Michael D. Burkart","Isolation, Structure Elucidation, and Antitumor Activity of Spirohexenolides A and B","Journal of Organic Chemistry","2009","74","","9054","9061","10.1021/jo901826d","","","1.54178","CuKα","","0.057","0.046","","","0.1062","0.1114","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4025080","6.9077","0.0003","13.0543","0.0006","23.0708","0.001","90","","93.289","0.003","90","","2076.99","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C100 H112 O16 -","4","2","","MinJin Kang; Brian D. Jones; Alexander L. Mandel; Justin C. Hammons; Antonio G. DiPasquale; Arnold L. Rheingold; James J. La Clair; Michael D. Burkart","Isolation, Structure Elucidation, and Antitumor Activity of Spirohexenolides A and B","Journal of Organic Chemistry","2009","74","","9054","9061","10.1021/jo901826d","","","1.54178","CuKα","","0.0493","0.0398","","","0.097","0.1039","","","","","","1.011","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025081","9.0585","0.0018","6.9906","0.0014","25.138","0.005","90","","92.14","0.03","90","","1590.7","0.5","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 N6 -","- C20 H10 N6 -","- C80 H40 N24 -","4","1","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.71073","MoKα","","0.0628","0.0413","","","0.102","0.1203","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025082","19.105","0.0016","38.439","0.003","13.545","0.0011","90","","132.782","0.002","90","","7300.6","1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 N8 -","- C22 H10 N8 -","- C352 H160 N128 -","16","2","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.7749","synchrotron","","0.0724","0.0415","","","0.1025","0.1213","","","","","","1.001","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025083","17.6352","0.0009","16.8426","0.0008","6.6854","0.0003","90","","107.786","0.003","90","","1890.81","0.16","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N6 O2 -","- C22 H16 N6 O2 -","- C88 H64 N24 O8 -","4","0.5","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.7749","synchrotron","","0.0673","0.0406","","","0.0997","0.1126","","","","","","1.021","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025084","16.414","0.003","24.064","0.005","7.5344","0.0015","90","","108.78","0.03","90","","2817.7","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N10 O2 -","- C32 H28 N10 O2 -","- C128 H112 N40 O8 -","4","0.5","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.71073","MoKα","","0.1066","0.0538","","","0.1237","0.1667","","","","","","0.999","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025085","10.3554","0.0019","32.575","0.005","10.4974","0.0018","90","","100.23","0.01","90","","3484.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C37H34N6O7","","","- C37 H34 N6 O7 -","- C37 H34 N6 O7 -","- C148 H136 N24 O28 -","4","1","","Hemraj Juwarker; Jeremy M. Lenhardt; José C. Castillo; Emily Zhao; Sibi Krishnamurthy; Ryan M. Jamiolkowski; Ki-Hyon Kim; Stephen L. Craig","Anion Binding of Short, Flexible Aryl Triazole Oligomers","Journal of Organic Chemistry","2009","74","","8924","8934","10.1021/jo901966f","","","0.71073","MoKα","","0.0971","0.0593","","","0.1405","0.1595","","","","","","1.023","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025086","5.03","0.003","18.056","0.01","23.87","0.015","105.74","0.02","95.84","0.02","92.598","0.017","2070","2","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H62 S5 -","- C48 H62 S5 -","- C96 H124 S10 -","2","1","","Andrzej Rajca; Makoto Miyasaka; Shuzhang Xiao; Przemysław J. Boratyński; Maren Pink; Suchada Rajca","Intramolecular Cyclization of Thiophene-Based [7]Helicenes to Quasi-[8]Circulenes","Journal of Organic Chemistry","2009","74","","9105","9111","10.1021/jo902030u","","","0.43321","synchrotron","","0.2941","0.1451","","","0.341","0.3898","","","","","","1.358","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025087","9.629","0.0019","10.042","0.002","25.85","0.005","90","","90","","90","","2499.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","","Tommy Bui; Mar Borregan; Carlos F. Barbas","Expanding the Scope of Cinchona Alkaloid-Catalyzed Enantioselective α-Aminations of Oxindoles: A Versatile Approach to Optically Active 3-Amino-2-oxindole Derivatives","Journal of Organic Chemistry","2009","74","","8935","8938","10.1021/jo902039a","","","0.71073","MoKα","","0.0813","0.0684","","","0.1515","0.1583","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025088","14.195","0.0002","5.9546","0.0001","17.0522","0.0003","90","","95.036","0.001","90","","1435.78","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","David Marcoux; Sébastien R. Goudreau; André B. Charette","trans-Directing Ability of the Amide Group: Enabling the Enantiocontrol in the Synthesis of 1,1-Dicarboxy Cyclopropanes. Reaction Development, Scope, and Synthetic Applications","Journal of Organic Chemistry","2009","74","","8939","8955","10.1021/jo902066y","","","1.54178","CuKα","","0.041","0.0355","","","0.0977","0.101","","","","","","1.033","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025089","11.1535","0.0006","15.5488","0.0008","10.3661","0.0006","90","","90","","90","","1797.73","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","4","P n a 21","P 2c -2n","33","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","David Marcoux; Sébastien R. Goudreau; André B. Charette","trans-Directing Ability of the Amide Group: Enabling the Enantiocontrol in the Synthesis of 1,1-Dicarboxy Cyclopropanes. Reaction Development, Scope, and Synthetic Applications","Journal of Organic Chemistry","2009","74","","8939","8955","10.1021/jo902066y","","","1.54178","CuKα","","0.0296","0.0295","","","0.082","0.082","","","","","","1.056","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025090","15.752","0.005","17.354","0.005","11.609","0.005","90","0.005","99.716","0.005","90","0.005","3127.9","1.9","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 I2 N4 O2 -","- C36 I2 N4 O2 -","- C144 I8 N16 O8 -","4","1","","Christophe Laroche; Sean M. Kerwin","Efficient, Regioselective Access to Bicyclic Imidazo[1,2-x]- Heterocycles via Gold- and Base-Promoted Cyclization of 1-Alkynylimidazoles","Journal of Organic Chemistry","2009","74","","9229","9232","10.1021/jo902073m","","","0.7107","MoKα","","0.1098","0.0605","","","0.1112","0.1167","","","","","","1.805","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025091","8.1","0.003","8.189","0.003","24.65","0.008","90","","90","","90","","1635","1","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0249","","","","0.0686","","","","","","0.737","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025092","6.996","0.006","26.305","0.004","11.977","0.006","90","","90","","90","","2204","2","198.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H38 N2 O2 -","- C23 H38 N2 O2 -","- C92 H152 N8 O8 -","4","0.5","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0652","","","","0.0852","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025093","21.325","0.009","15.977","0.004","61.3","0.03","90","","96.74","0.03","90","","20742","14","143.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H76 B2 F8 N4 O4 Pd -","- C46 H76 B2 F8 N4 O4 Pd -","- C736 H1216 B32 F128 N64 O64 Pd16 -","16","2","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0944","","","","0.0974","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025094","11.405","0.001","14.664","0.001","13.714","0.001","90","","107.231","0.001","90","","2190.6","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0566","0.0411","","","0.109","0.1173","","","","","","1.064","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025095","17.88","0.001","9.248","0.001","13.031","0.001","90","","98.493","0.001","90","","2131.1","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 O3 -","- C23 H40 O3 -","- C92 H160 O12 -","4","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0669","0.0415","","","0.0993","0.1098","","","","","","1.009","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025096","9.457","0.001","13.107","0.001","28.175","0.001","90","","90","","90","","3492.4","0.5","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C160 H288 O24 -","8","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0932","0.0449","","","0.1","0.1134","","","","","","1.006","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025097","32.566","0.001","8.215","0.001","18.22","0.001","90","","118.655","0.001","90","","4277.4","0.6","150","0.1","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H40 O4 -","- C23 H40 O4 -","- C184 H320 O32 -","8","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0679","0.0454","","","0.1258","0.1374","","","","","","1.087","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025098","21.298","0.001","10.326","0.001","19.407","0.001","90","","90","","90","","4268","0.5","150","0.1","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H40 O4 -","- C23 H40 O4 -","- C184 H320 O32 -","8","2","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0681","0.0469","","","0.1096","0.1191","","","","","","1.02","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025099","9.124","0.0017","12.179","0.002","11.372","0.002","90","","98.493","0.015","90","","1249.8","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H25 O P -","- C34 H25 O P -","- C68 H50 O2 P2 -","2","1","","Elena D. Matveeva; Tatyana A. Podrugina; Anna S. Pavlova; Andrey V. Mironov; Anatoliy A. Borisenko; Rolf Gleiter; Nikolay S. Zefirov","Heterocycles from Phosphonium-Iodonium Ylides. Photochemical Synthesis of λ5-Phosphinolines","Journal of Organic Chemistry","2009","74","","9428","9432","10.1021/jo901984q","","","0.71069","MoKα","","0.0343","0.0343","","","0.0429","0.0429","","","","1.15","1.15","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025100","37.312","0.006","37.312","0.006","10.224","0.003","90","","90","","120","","12327","5","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C35 H33 O P -","- C35.0033 H32.392 O P -","- C630.06 H583.056 O18 P18 -","18","1","","Elena D. Matveeva; Tatyana A. Podrugina; Anna S. Pavlova; Andrey V. Mironov; Anatoliy A. Borisenko; Rolf Gleiter; Nikolay S. Zefirov","Heterocycles from Phosphonium-Iodonium Ylides. Photochemical Synthesis of λ5-Phosphinolines","Journal of Organic Chemistry","2009","74","","9428","9432","10.1021/jo901984q","","","0.71069","MoKα","","0.0361","0.0361","","","0.0457","0.0457","","","","1.14","1.14","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025101","6.245","0.002","18.983","0.009","15.263","0.007","90","","94.87","0.03","90","","1802.8","1.3","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl3 N O4 -","- C15 H17 Cl3 N O4 -","- C60 H68 Cl12 N4 O16 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.049","","","","0.0644","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025102","6.263","0.003","19.199","0.004","15.512","0.002","90","","96.16","0.02","90","","1854.5","1","297.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br3 N O4 -","- C15 H17 Br3 N O4 -","- C60 H68 Br12 N4 O16 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0688","","","","0.0664","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025103","13.518","0.003","14.76","0.003","13.255","0.003","90","","90","","90","","2644.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0539","","","","0.0647","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025104","13.609","0.003","14.887","0.003","13.149","0.004","90","","90","","90","","2663.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0629","","","","0.0656","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025105","7.925","0.003","24.122","0.004","13.993","0.003","90","","98.51","0.02","90","","2645.3","1.2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0882","","","","0.0671","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025106","7.979","0.005","24.521","0.006","13.898","0.005","90","","98.42","0.04","90","","2690","2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0579","","","","0.0654","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025107","7.9452","0.0005","13.993","0.003","22.1344","0.0016","90","","93.841","0.002","90","","2455.2","0.5","292.1","","292.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 F2 N4 O4 -","- C24 H36 F2 N4 O4 -","- C96 H144 F8 N16 O16 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0766","","","","0.0876","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025108","10.9881","0.0019","4.3351","0.0007","20.561","0.004","90","","98.561","0.003","90","","968.5","0.3","180","2","180","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Liyan Xing; Charline Wiegert; Anne Petitjean","Stereochemical and Conformational Exchanges inN,N'-Di(2-pyridyl)formamidines: An X-ray and1H NMR Study","Journal of Organic Chemistry","2009","74","","9513","9516","10.1021/jo9020453","","","0.71073","MoKα","","0.0436","0.0331","","","0.0843","0.0893","","","","","","0.973","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025109","8.2926","0.0013","10.0449","0.0017","17.18","0.003","90","","93.255","0.002","90","","1428.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Kanniyappan Parthasarathy; Chien-Hong Cheng","Easy Access to Isoquinolines and Tetrahydroquinolines from Ketoximes and Alkynes via Rhodium-Catalyzed C-H Bond Activation","Journal of Organic Chemistry","2009","74","","9359","9364","10.1021/jo902084j","","","0.71073","MoKα","","0.067","0.0516","","","0.1397","0.1531","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025110","5.684","0.004","8.214","0.005","8.368","0.005","71.037","0.017","82.51","0.02","82.59","0.02","364.8","0.4","113.1","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H8 Cl -","- C9 H8 Cl -","- C18 H16 Cl2 -","2","1","","Taigo Kashiwabara; Kouichirou Fuse; Takeshi Muramatsu; Masato Tanaka","Synthesis of 1,4-Dichloro-1,3-butadienes by Rhodium Complex Catalyzed Reaction of Terminal Alkynes with Trichloroacetyl Chloride","Journal of Organic Chemistry","2009","74","","9433","9439","10.1021/jo902088p","","","0.7107","MoKα","","","0.0321","","","","0.0455","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025111","11.217","0.005","13.036","0.006","17.985","0.009","90","","90","","90","","2630","2","113.1","","113","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H30 Cl6 P4 Rh2 -","- C12 H30 Cl6 P4 Rh2 -","- C48 H120 Cl24 P16 Rh8 -","4","0.5","","Taigo Kashiwabara; Kouichirou Fuse; Takeshi Muramatsu; Masato Tanaka","Synthesis of 1,4-Dichloro-1,3-butadienes by Rhodium Complex Catalyzed Reaction of Terminal Alkynes with Trichloroacetyl Chloride","Journal of Organic Chemistry","2009","74","","9433","9439","10.1021/jo902088p","","","0.7107","MoKα","","","0.0416","","","","0.0602","","","","","","0.883","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025112","14.1513","0.0012","8.328","0.0007","13.756","0.0011","90","","104.075","0.001","90","","1572.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-benzyl-4[hydroxy(phenyl)methyl]-5-methoxypyridazin-3(2H)one","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Oxana Ryabtsova; Tom Verhelst; Mattijs Baeten; Christophe M. L. Vande Velde; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Bromine-Magnesium Exchange on Bromopyridazin-3(2H)-ones","Journal of Organic Chemistry","2009","74","","9440","9445","10.1021/jo9020985","","","0.71073","MoKα","","0.0503","0.0421","","","0.1174","0.1253","","","","","","1.042","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025113","8.0694","0.0011","12.6468","0.0018","13.1813","0.0018","79.055","0.002","83.076","0.002","81.635","0.002","1300.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'[hydroxy(phenyl)methylene]bis(2-benzyl-5-methoxypyridazin-3(2H)one","","- C31 H28 N4 O5 -","- C31 H28 N4 O5 -","- C62 H56 N8 O10 -","2","1","","Oxana Ryabtsova; Tom Verhelst; Mattijs Baeten; Christophe M. L. Vande Velde; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Bromine-Magnesium Exchange on Bromopyridazin-3(2H)-ones","Journal of Organic Chemistry","2009","74","","9440","9445","10.1021/jo9020985","","","0.71073","MoKα","","0.0522","0.0429","","","0.1102","0.1181","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025114","9.8704","0.0016","5.8208","0.001","17.713","0.003","90","","100.994","0.002","90","","999","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-benzyl-5-bromopyridazin-3(2H)one","","- C11 H9 Br N2 O -","- C11 H9 Br N2 O -","- C44 H36 Br4 N8 O4 -","4","1","","Oxana Ryabtsova; Tom Verhelst; Mattijs Baeten; Christophe M. L. Vande Velde; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Bromine-Magnesium Exchange on Bromopyridazin-3(2H)-ones","Journal of Organic Chemistry","2009","74","","9440","9445","10.1021/jo9020985","","","0.71073","MoKα","","0.0283","0.0217","","","0.0583","0.0607","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025115","4.8386","0.001","10.616","0.002","27.704","0.006","90","","90","","90","","1423.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl O4 -","- C14 H17 Cl O4 -","- C56 H68 Cl4 O16 -","4","1","","Sanzhong Luo; Yupu Qiao; Long Zhang; Jiuyuan Li; Xin Li; Jin-Pei Cheng","Asymmetric Direct Aldol Reactions of Acetoacetals Catalyzed by a Simple Chiral Primary Amine","Journal of Organic Chemistry","2009","74","","9521","9523","10.1021/jo9021259","","","0.71073","MoKα","","0.041","0.0391","","","0.0973","0.0991","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025116","7.273","0.002","22.469","0.005","9.528","0.002","90","","104.2","0.004","90","","1509.4","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C68 H68 N12 O12 -","4","1","","Matthew R. Smith; Alexander J. Blake; Christopher J. Hayes; Malcolm F. G. Stevens; Christopher J. Moody","Carbene Reactivity of 4-Diazo-4H-imidazoles toward Nucleophiles and Aromatic Compounds","Journal of Organic Chemistry","2009","74","","9372","9380","10.1021/jo902165w","","","0.71073","MoKα","","0.0616","0.0526","","","0.13","0.136","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025117","8.4982","0.0007","10.9169","0.0009","11.4853","0.001","114.378","0.002","93.584","0.002","97.782","0.002","953.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 F6 N2 O2 -","- C23 H12 F6 N2 O2 -","- C46 H24 F12 N4 O4 -","2","1","","Matthew R. Smith; Alexander J. Blake; Christopher J. Hayes; Malcolm F. G. Stevens; Christopher J. Moody","Carbene Reactivity of 4-Diazo-4H-imidazoles toward Nucleophiles and Aromatic Compounds","Journal of Organic Chemistry","2009","74","","9372","9380","10.1021/jo902165w","","","0.71073","MoKα","","0.047","0.0427","","","0.117","0.121","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025118","11.3164","0.0012","17.6548","0.0019","20.537","0.002","90","","90","","90","","4103","0.8","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C27 H24 O2 -","- C27 H24 O2 -","- C216 H192 O16 -","8","1","","Liang-Feng Yao; Yin Wei; Min Shi","Silver- and Gold-Catalyzed Intramolecular Rearrangement of Propargylic Alcohols Tethered with Methylenecyclopropanes: Stereoselective Synthesis of Allenylcyclobutanols and 1-Vinyl-3-oxabicyclo[3.2.1]octan-8-one Derivatives","Journal of Organic Chemistry","2009","74","","9466","9469","10.1021/jo902261r","","","0.71073","MoKα","","0.1231","0.0777","","","0.1888","0.2259","","","","","","1.082","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025119","13.541","0.0018","16.611","0.002","10.4723","0.0014","90","","108.179","0.003","90","","2237.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C112 H104 O12 -","4","1","","Liang-Feng Yao; Yin Wei; Min Shi","Silver- and Gold-Catalyzed Intramolecular Rearrangement of Propargylic Alcohols Tethered with Methylenecyclopropanes: Stereoselective Synthesis of Allenylcyclobutanols and 1-Vinyl-3-oxabicyclo[3.2.1]octan-8-one Derivatives","Journal of Organic Chemistry","2009","74","","9466","9469","10.1021/jo902261r","","","0.71073","MoKα","","0.131","0.0474","","","0.0913","0.1176","","","","","","0.868","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025120","12.104","0.004","12.965","0.003","15.309","0.004","76.681","0.002","104.981","0.007","114.121","0.007","2096.8","1","143","1","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H32 Cl6 O14 -","- C42 H32 Cl6 O14 -","- C84 H64 Cl12 O28 -","2","1","","Carol A. Mulrooney; Barbara J. Morgan; Xiaolin Li; Marisa C. Kozlowski","Perylenequinone Natural Products: Enantioselective Synthesis of the Oxidized Pentacyclic Core","Journal of Organic Chemistry","2010","75","","16","29","10.1021/jo9013832","","","0.71069","MoKα","","0.0999","0.0678","","0.1171","0.1079","","","","1.142","1.226","1.226","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025121","14.119","0.002","8.6717","0.0013","15.029","0.003","90","","95.874","0.006","90","","1830.4","0.5","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O16 -","- C40 H44 O16 -","- C80 H88 O32 -","2","1","","Erin M. O'Brien; Barbara J. Morgan; Carol A. Mulrooney; Patrick J. Carroll; Marisa C. Kozlowski","Perylenequinone Natural Products: Total Synthesis of Hypocrellin A","Journal of Organic Chemistry","2010","75","","57","68","10.1021/jo901386d","","","0.71069","MoKα","","0.0841","0.0631","","","0.151","0.1686","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025122","12.4479","0.0013","12.4665","0.0013","16.814","0.002","102.449","0.003","103.13","0.003","90.26","0.002","2477.3","0.5","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C54 H58 O16 -","- C54 H58 O16 -","- C108 H116 O32 -","2","2","","Erin M. O'Brien; Barbara J. Morgan; Carol A. Mulrooney; Patrick J. Carroll; Marisa C. Kozlowski","Perylenequinone Natural Products: Total Synthesis of Hypocrellin A","Journal of Organic Chemistry","2010","75","","57","68","10.1021/jo901386d","","","0.71069","MoKα","","0.0925","0.0796","","","0.2148","0.2357","","","","","","1.043","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025123","9.602","0.007","11.454","0.009","10.106","0.008","90","","114.009","0.012","90","","1015.3","1.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O6 -","- C20 H31 N O6 -","- C40 H62 N2 O12 -","2","1","","Dhevalapally B. Ramachary; Y. Vijayendar Reddy","A General Approach to Chiral Building Blocks via Direct Amino Acid-Catalyzed Cascade Three-Component Reductive Alkylations: Formal Total Synthesis of HIV-1 Protease Inhibitors, Antibiotic Agglomerins, Brefeldin A, and (R)-γ-Hexanolide","Journal of Organic Chemistry","2010","75","","74","85","10.1021/jo901799n","","","0.71073","MoKα","","0.0815","0.0622","","","0.15","0.1598","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025124","24.5675","0.0013","9.4469","0.0005","12.9022","0.0006","90","","99.489","0.003","90","","2953.5","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C88 H176 N16 O16 -","8","1","","Nirupam Purkayastha; Deepak M. Shendage; Roland Fröhlich; Günter Haufe","The Vinylfluoro Group as an Acetonyl Cation Equivalent: Stereoselective Synthesis of 6-Substituted 4-Hydroxy Pipecolic Acid Derivatives","Journal of Organic Chemistry","2010","75","","222","225","10.1021/jo901872a","","","1.54178","CuKα","","0.0768","0.0699","","","0.2086","0.2177","","","","","","1.076","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025125","9.8442","0.0011","10.9208","0.0013","14.2899","0.0018","106.311","0.002","109.262","0.002","94.802","0.001","1365.3","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 O9 S -","- C29 H34 O9 S -","- C58 H68 O18 S2 -","2","1","","Erin M. O'Brien; Jingxian Li; Patrick J. Carroll; Marisa C. Kozlowski","Synthesis of the Cores of Hypocrellin and Shiraiachrome: Diastereoselective 1,8-Diketone Aldol Cyclization","Journal of Organic Chemistry","2010","75","","69","73","10.1021/jo9018914","","","0.71069","MoKα","","0.0811","0.0753","","","0.2062","0.2127","","","","","","1.043","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025126","10.7","0.011","12.304","0.012","8.209","0.005","100.87","0.06","101.46","0.06","71.47","0.08","995.1","1.6","133.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C22 H29 Br O2 -","- C22 H29 Br O2 -","- C44 H58 Br2 O4 -","2","2","","Node, Manabu; Ozeki, Minoru; Planas, Loïc; Nakano, Masashi; Takita, Hirofumi; Mori, Daisuke; Tamatani, Shinji; Kajimoto, Tetsuya","Efficient Asymmetric Synthesis ofabeo-Abietane-Type Diterpenoids by Using the Intramolecular Heck Reaction","Journal of Organic Chemistry","2010","75","1","190","196","10.1021/jo901972b","","","0.71069","MoKα","","","0.0952","","","","0.1294","","","","","","2.708","","","","has coordinates","210086","2020-10-21","18:00:00",""
"4025127","12.039","0.002","21.525","0.002","13.205","0.002","90","","109.94","0.01","90","","3216.8","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-ethyl-2-(5-(alloxy)-2-(tert.butyldimethylsiloxy)-4-methoxyphenyl)-2- (diphenylphosphorylimino)acetate","","- C32 H40 N O6 P Si -","- C32 H40 N O6 P Si -","- C128 H160 N4 O24 P4 Si4 -","4","1","","Patrick J. Gross; Caroline E. Hartmann; Martin Nieger; Stefan Bräse","Synthesis of Methoxyfumimycin with 1,2-Addition to Ketimines","Journal of Organic Chemistry","2010","75","","229","232","10.1021/jo902026s","","","0.71073","MoKα","","0.066","0.0462","","","0.0977","0.106","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025128","10.199","0.001","13.332","0.001","17.8","0.001","99.86","0.01","105.95","0.01","103.28","0.01","2192.7","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-(5-hydroxy-6-methoxy-3-methyl-2-oxo-4-(prop-1-enyl)-2,3-dihydro- benzofuran-3-yl)-P,P-diphenylphosphinic amide","","- C25 H24 N O5 P -","- C25 H24 N O5 P -","- C100 H96 N4 O20 P4 -","4","2","","Patrick J. Gross; Caroline E. Hartmann; Martin Nieger; Stefan Bräse","Synthesis of Methoxyfumimycin with 1,2-Addition to Ketimines","Journal of Organic Chemistry","2010","75","","229","232","10.1021/jo902026s","","","0.71073","MoKα","","0.068","0.0469","","","0.1115","0.1231","","","","","","1.021","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025129","8.7647","0.0015","7.3008","0.0013","18.426","0.003","90","","90.673","0.003","90","","1179","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br F O4 -","- C25 H26 Br F O4 -","- C50 H52 Br2 F2 O8 -","2","1","","Hai-Feng Cui; Ying-Quan Yang; Zhuo Chai; Peng Li; Chang-Wu Zheng; Shi-Zheng Zhu; Gang Zhao","Enantioselective Synthesis of Functionalized Fluorinated Cyclohexenones via Robinson Annulation Catalyzed by Primary-Secondary Diamines","Journal of Organic Chemistry","2010","75","","117","122","10.1021/jo902081w","","","0.71073","MoKα","","0.0915","0.061","","","0.159","0.1823","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025130","6.0261","0.0007","19.368","0.002","20.028","0.002","90","","90","","90","","2337.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br F O3 -","- C25 H24 Br F O3 -","- C100 H96 Br4 F4 O12 -","4","1","","Hai-Feng Cui; Ying-Quan Yang; Zhuo Chai; Peng Li; Chang-Wu Zheng; Shi-Zheng Zhu; Gang Zhao","Enantioselective Synthesis of Functionalized Fluorinated Cyclohexenones via Robinson Annulation Catalyzed by Primary-Secondary Diamines","Journal of Organic Chemistry","2010","75","","117","122","10.1021/jo902081w","","","0.71073","MoKα","","0.0749","0.0443","","","0.0904","0.0963","","","","","","0.832","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025131","5.4052","0.0004","11.0625","0.0012","30.808","0.004","90","","90","","90","","1842.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Rocío Robles-Machín; María González-Esguevillas; Javier Adrio; Juan C. Carretero","Cu-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Phenylsulfonyl Enones. Ligand Controlled Diastereoselectivity Reversal","Journal of Organic Chemistry","2010","75","","233","236","10.1021/jo902103z","","","0.71073","MoKα","","0.0512","0.0366","","","0.0733","0.0816","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025132","5.8985","0.0001","9.6146","0.0002","10.1578","0.0002","107.73","0.001","103.154","0.001","107.355","0.001","490.554","0.018","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","2","","Soyeong Kang; Hyeon-Kyu Lee","Highly Efficient, Enantioselective Syntheses of (S)-(+)- and (R)-(-)-Dapoxetine Starting with 3-Phenyl-1-propanol","Journal of Organic Chemistry","2010","75","","237","240","10.1021/jo902176s","","","0.71073","MoKα","","0.0498","0.0385","","","0.0904","0.0965","","","","","","1.068","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025133","52.274","0.004","8.3593","0.0006","39.186","0.003","90","","118.24","0.01","90","","15085","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H110 O4 S4 -","- C82 H110 O4 S4 -","- C656 H880 O32 S32 -","8","1","","Xianshun Zeng; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Joanna Gigon; Barbara Urasinska-Wojcik; Geoffrey J. Ashwell","Synthesis and Properties of Functionalized Oligo(arylene) Molecular Wires with Thiolated Termini: Competing Thiol-Au and Nitro-Au Assembly","Journal of Organic Chemistry","2010","75","","130","136","10.1021/jo902205p","","","0.71073","MoKα","","0.1788","0.0688","","","0.172","0.2201","","","","","","0.884","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025134","7.725","0.0006","8.3461","0.0005","19.3085","0.0018","79.088","0.012","82.355","0.012","75.344","0.014","1177.85","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Br N3 O6 S -","- C26 H16 Br N3 O6 S -","- C52 H32 Br2 N6 O12 S2 -","2","1","","Xianshun Zeng; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Joanna Gigon; Barbara Urasinska-Wojcik; Geoffrey J. Ashwell","Synthesis and Properties of Functionalized Oligo(arylene) Molecular Wires with Thiolated Termini: Competing Thiol-Au and Nitro-Au Assembly","Journal of Organic Chemistry","2010","75","","130","136","10.1021/jo902205p","","","0.71073","MoKα","","0.0525","0.0325","","","0.0633","0.0687","","","","","","0.933","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025135","9.919","0.002","7.3305","0.0017","11.891","0.003","90","","109.874","0.003","90","","813.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Manas K. Ghorai; Amit Kumar; Deo Prakash Tiwari","BF3.OEt2-Mediated Highly Regioselective SN2-Type Ring-Opening ofN-Activated Aziridines andN-Activated Azetidines by Tetraalkylammonium Halides","Journal of Organic Chemistry","2010","75","","137","151","10.1021/jo902244y","","","0.71073","MoKα","","0.0811","0.0585","","","0.1255","0.1708","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025136","8.0491","0.0006","11.8783","0.0009","11.8348","0.0009","90","","91.541","0.001","90","","1131.11","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0334","0.0314","","","0.087","0.0887","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025137","11.4729","0.0009","13.4307","0.0011","10.9934","0.0009","90","","116.665","0.001","90","","1513.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0599","0.0517","","","0.138","0.145","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025138","13.0465","0.001","13.8969","0.001","6.7162","0.0005","90","","90","","90","","1217.69","0.16","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H10 Br N O2 S -","- C12 H10 Br N O2 S -","- C48 H40 Br4 N4 O8 S4 -","4","0.5","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0234","0.0219","","","0.0523","0.0531","","","","","","1.123","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025139","17.2748","0.0016","6.4985","0.0006","12.8822","0.0012","90","","103.233","0.002","90","","1407.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br N O3 P S -","- C12 H13 Br N O3 P S -","- C48 H52 Br4 N4 O12 P4 S4 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0461","0.0326","","","0.0754","0.083","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025140","7.5505","0.0005","17.311","0.0011","12.7853","0.0008","90","","91.039","0.002","90","","1670.85","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O2 S2 -","- C17 H14 Br N O2 S2 -","- C68 H56 Br4 N4 O8 S8 -","4","1","","Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody","Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones","Journal of Organic Chemistry","2010","75","","152","161","10.1021/jo902256r","","","0.71073","MoKα","","0.0264","0.024","","","0.0649","0.066","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025141","9.822","0.002","15.05","0.002","18.015","0.003","90","","90","","90","","2663","0.8","292","2","292","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C128 H120 N8 O16 S4 -","4","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.1868","0.0489","","","0.104","0.1305","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025142","9.004","0.005","14.264","0.003","20.84","0.006","90","","90","","90","","2676.5","1.8","565","2","565","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C128 H120 N8 O16 S4 -","4","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.0948","0.0477","","","0.0833","0.097","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025143","9.204","0.0018","14.189","0.0018","11.795","0.003","90","","94.66","0.02","90","","1535.3","0.5","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C35 H38 N2 O5 S -","- C35 H38 N2 O5 S -","- C70 H76 N4 O10 S2 -","2","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.1251","0.0587","","","0.1245","0.1446","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025144","18.464","0.007","8.956","0.003","18.795","0.009","90","","91.8","0.019","90","","3106","2","298","1","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Ming Bian; Weijun Yao; Hanfeng Ding; Cheng Ma","Highly Efficient Access to Iminoisocoumarins and α-Iminopyrones via AgOTf-Catalyzed Intramolecular Enyne-Amide Cyclization","Journal of Organic Chemistry","2010","75","","269","272","10.1021/jo9023478","","","0.71075","MoKα","","","0.0345","","","","0.0695","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025145","8.08","0.0016","10.047","0.002","10.705","0.002","82.35","0.03","71.77","0.03","66.66","0.03","757.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Fang-Gang Sun; Xue-Liang Huang; Song Ye","Diastereoselective Synthesis of 4-Hydroxytetralones via a Cascade Stetter-Aldol Reaction Catalyzed by N-Heterocyclic Carbenes","Journal of Organic Chemistry","2010","75","","273","276","10.1021/jo902376t","","","0.71073","MoKα","","0.0476","0.0457","","","0.1158","0.1173","","","","","","1.116","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025146","9.4943","0.0019","10.749","0.002","27.628","0.006","90","","90","","90","","2819.6","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Fang-Gang Sun; Xue-Liang Huang; Song Ye","Diastereoselective Synthesis of 4-Hydroxytetralones via a Cascade Stetter-Aldol Reaction Catalyzed by N-Heterocyclic Carbenes","Journal of Organic Chemistry","2010","75","","273","276","10.1021/jo902376t","","","0.71073","MoKα","","0.0534","0.0499","","","0.1156","0.1178","","","","","","1.219","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025147","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H78 F N9 O6 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0698","0.0585","","","0.1632","0.1704","","","","","","1.081","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025148","10.3691","0.0005","10.4155","0.0005","11.0993","0.0005","64.144","0.001","71.293","0.001","63.249","0.001","951.65","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","1","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0446","0.0433","","","0.1125","0.1136","","","","","","1.046","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025149","12.0283","0.0012","12.1094","0.0012","14.0344","0.0013","84.979","0.002","79.876","0.002","78.866","0.002","1971.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H42 N12 S6 -","- C35 H42 N12 S6 -","- C70 H84 N24 S12 -","2","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0722","0.059","","","0.1555","0.1641","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025150","11.2721","0.0014","20.173","0.002","23.226","0.003","90","","91.96","0.003","90","","5278.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.9 H79.9 Cl0.21 F N12.9 O6 -","- C50.9 H79.9 Cl0.2 F N12.9 O6 -","- C203.6 H319.6 Cl0.8 F4 N51.6 O24 -","4","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.116","0.0667","","","0.1634","0.1823","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025151","9.7992","0.0004","10.4914","0.0005","18.5776","0.0009","90","","94.826","0.002","90","","1903.14","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H40 N O6.5 S -","- C37 H40 N O6.5 S -","- C74 H80 N2 O13 S2 -","2","1","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.0757","0.0663","","","0.1848","0.192","","","","","","1.034","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025152","8.7034","0.0003","10.0673","0.0004","23.1719","0.0008","90","","90","","90","","2030.32","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O6 S -","- C21 H24 O6 S -","- C84 H96 O24 S4 -","4","1","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.0865","0.0508","","","0.1219","0.1436","","","","","","1.001","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025153","8.766","","12.419","","16.03","","92.17","","92.89","","90.28","","1741.59","","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H41 N O6 S -","- C37 H40.5 N O6 S -","- C74 H81 N2 O12 S2 -","2","2","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.1301","0.0611","","","0.2003","0.2209","","","","","","1.333","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025154","10.736","0.0007","10.736","0.0007","34.045","0.004","90","","90","","90","","3924.1","0.6","294","2","294","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H17 Br N2 O6 S2 -","- C16 H17 Br N2 O6 S2 -","- C128 H136 Br8 N16 O48 S16 -","8","1","","Sadagopan Raghavan; V. Krishnaiah; B. Sridhar","Asymmetric Synthesis of the Potent HIV-Protease Inhibitor, Nelfinavir","Journal of Organic Chemistry","2010","75","","498","501","10.1021/jo902048t","","","0.71073","MoKα","","0.0461","0.0381","","","0.0909","0.0964","","","","","","1.103","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025155","9.4207","0.0019","13.29","0.003","16.037","0.004","73.315","0.014","68.206","0.009","83.527","0.013","1785.8","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H34 Cl3 N2 O P S -","- C42.5 H34 Cl3 N2 O P S -","- C85 H68 Cl6 N4 O2 P2 S2 -","2","1","","Takashi Nakabuchi; Makoto Nakashima; Shinya Fujishige; Haruyuki Nakano; Yoshihiro Matano; Hiroshi Imahori","Synthesis and Reactions of Phosphaporphyrins: Reconstruction of π-Skeleton Triggered by Oxygenation of a Core Phosphorus Atom","Journal of Organic Chemistry","2010","75","","375","389","10.1021/jo902060b","","","0.71069","MoKα","","0.1583","0.0878","","","0.231","0.2804","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025156","8.6897","0.0014","19.734","0.003","9.1977","0.0015","90","","94.59","0.001","90","","1572.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H29 N2 O P S -","- C41 H29 N2 O P S -","- C82 H58 N4 O2 P2 S2 -","2","0.5","","Takashi Nakabuchi; Makoto Nakashima; Shinya Fujishige; Haruyuki Nakano; Yoshihiro Matano; Hiroshi Imahori","Synthesis and Reactions of Phosphaporphyrins: Reconstruction of π-Skeleton Triggered by Oxygenation of a Core Phosphorus Atom","Journal of Organic Chemistry","2010","75","","375","389","10.1021/jo902060b","","","0.7107","MoKα","","0.0413","0.0394","","","0.087","0.0884","","","","","","1.042","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025157","11.0514","0.0016","13.9951","0.0019","22.484","0.003","90","","90","","90","","3477.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C152 H200 N8 O24 -","8","2","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.127","0.0615","","","0.13","0.1569","","","","","","1.036","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025158","5.5785","0.0012","14.446","0.003","16.711","0.004","90","","90","","90","","1346.7","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.0511","0.0362","","","0.0893","0.1069","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025159","6.0434","0.0006","14.1658","0.0015","16.4204","0.0017","90","","90","","90","","1405.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.1285","0.0814","","","0.2253","0.2655","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025160","4.3828","0.0006","16.726","0.002","17.199","0.002","83.172","0.002","85.081","0.002","86.689","0.002","1245.8","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","2","","Marjorie Bruder; Paul L. Haseler; Marina Muscarella; William Lewis; Christopher J. Moody","Synthesis of the Oxepinochromone Natural Products Ptaeroxylin (Desoxykarenin), Ptaeroxylinol, and Eranthin","Journal of Organic Chemistry","2010","75","","353","358","10.1021/jo902117e","","","0.71073","MoKα","","0.0975","0.085","","","0.16","0.165","","","","","","1.249","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025161","8.2079","0.0003","13.5986","0.0005","11.1717","0.0004","90","","94.385","0.002","90","","1243.29","0.08","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Marjorie Bruder; Paul L. Haseler; Marina Muscarella; William Lewis; Christopher J. Moody","Synthesis of the Oxepinochromone Natural Products Ptaeroxylin (Desoxykarenin), Ptaeroxylinol, and Eranthin","Journal of Organic Chemistry","2010","75","","353","358","10.1021/jo902117e","","","0.71073","MoKα","","0.0503","0.0381","","","0.0974","0.1057","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025162","10.937","","12.082","","12.285","","107.01","","91.64","","108.81","","1455.81","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-(4-chlorobenzoyl)-2,7-di(4-methylphenyl)-5,5-dioxo- 2,3,4,5,6,7-hexahydro-5-thieno[3,2-c]thiopyran-6-carboxylate","","- C31 H29 Cl O5 S2 -","- C31 H29 Cl O5 S2 -","- C62 H58 Cl2 O10 S4 -","2","1","","Sethuraman Indumathi; Subbu Perumal; J. Carlos Menéndez","l-Proline-Catalyzed Three-Component Domino [3+2+1] Annulation for the Regio- and Diastereoselective Synthesis of Highly Substituted Thienothiopyrans Containing Three or Four Stereocenters","Journal of Organic Chemistry","2010","75","","472","475","10.1021/jo9021327","","","0.71073","MoKα","","0.071","0.0456","","","0.1332","0.1551","","","","","","0.906","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025163","12.0572","0.0005","15.4093","0.0006","15.1911","0.0006","90","","113.1","0.002","90","","2596.1","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 7-(4-chlorophenyl)-2-(4-methylphenyl)-5,5-dioxo-2,3,4,5,6,7- hexahydro-5-thieno[3,2-c]thiopyran-4,6-dicarboxylate","","- C26 H27 Cl O6 S2 -","- C26 H27 Cl O6 S2 -","- C104 H108 Cl4 O24 S8 -","4","1","","Sethuraman Indumathi; Subbu Perumal; J. Carlos Menéndez","l-Proline-Catalyzed Three-Component Domino [3+2+1] Annulation for the Regio- and Diastereoselective Synthesis of Highly Substituted Thienothiopyrans Containing Three or Four Stereocenters","Journal of Organic Chemistry","2010","75","","472","475","10.1021/jo9021327","","","0.71073","MoKα","","0.0881","0.0518","","","0.1425","0.1752","","","","","","1.027","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025164","15.706","0.003","12.873","0.002","20.451","0.004","90","","90","","90","","4134.9","1.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H38 N2 O2 -","- C54 H38 N2 O2 -","- C216 H152 N8 O8 -","4","1","","Hiroki Iida; Munenori Shimoyama; Yoshio Furusho; Eiji Yashima","Double-Stranded Supramolecular Assembly through Salt Bridge Formation between Rigid and Flexible Amidine and Carboxylic Acid Strands","Journal of Organic Chemistry","2010","75","","417","423","10.1021/jo902158v","","","0.71073","MoKα","","0.1097","0.0703","","","0.1321","0.1466","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025165","12.3269","0.0003","11.6835","0.0003","20.8753","0.0005","90","","90","","90","","3006.49","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(2-Methylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C43 H32 -","- C43 H32 -","- C172 H128 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0499","0.0485","","","0.1457","0.1475","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025166","12.3809","0.0004","11.7357","0.0003","21.3061","0.0005","90","","90","","90","","3095.74","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(2,6-Dimethylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C44 H34 -","- C44 H34 -","- C176 H136 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0649","0.0642","","","0.172","0.1732","","","","","","1.098","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4025167","12.3918","0.0002","11.7268","0.0002","23.2394","0.0005","90","","98.217","0.001","90","","3342.39","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","2","P 1 21/n 1","-P 2yn","14","1-(2,6-Diethylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C46 H38 -","- C46 H38 -","- C184 H152 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0554","0.0529","","","0.146","0.1485","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025168","12.8715","0.0002","10.8218","0.0002","13.1831","0.0002","90","","102.061","0.001","90","","1795.78","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","2","P 1 21 1","P 2yb","4","1-(2,6-Diisopropylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C48 H42 -","- C48 H42 -","- C96 H84 -","2","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0323","0.0322","","","0.0845","0.0846","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025169","32.859","0.003","16.8393","0.0018","15.9699","0.0017","90","","102.535","0.01","90","","8625.9","1.6","150","","150","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H44 N4 O8 S4 -","- C43 H44 N4 O8 S4 -","- C344 H352 N32 O64 S32 -","8","1","","Ondrej Kundrat; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","Uncommon Regioselectivity in the Thiacalix[4]arene Series: Gross Formylation of theConeConformer","Journal of Organic Chemistry","2010","75","","407","411","10.1021/jo902240h","","","1.5418","CuKα","","0.1259","0.069","","0.2248","0.1863","0.2103","","","","","","0.9704","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025170","7.6124","0.0004","12.5446","0.0007","17.6687","0.0009","93.389","0.003","95.731","0.003","104.216","0.003","1621.29","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","2","","Jan Kočí; Allen G. Oliver; Viktor Krchňák","Unprecedented Rearrangement of 2-(2-Aminoethyl)-1-aryl-3,4-dihydropyrazino[1,2-b]indazole-2-ium 6-oxides to 2,3-Dihydro-1H-imidazo[1,2-b]indazoles","Journal of Organic Chemistry","2010","75","","502","505","10.1021/jo902301x","","","1.54178","CuKα","","0.0635","0.0502","","","0.1285","0.1382","","","","","","1.041","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025171","10.8289","0.0009","17.554","0.0019","21.7052","0.0019","90","","90","","90","","4126","0.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H55 Br2 N O6 Si3 -","- C30 H55 Br2 N O6 Si3 -","- C120 H220 Br8 N4 O24 Si12 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","A General and Efficient Synthesis of Pyridin-2-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Amino, and Carbamoyl Groups in Position 6","Journal of Organic Chemistry","2010","75","","442","449","10.1021/jo902313g","","","1.54184","CuKα","","0.0718","0.0481","","0.0757","0.0558","0.0558","","","","","","1.1709","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025172","6.8208","0.0003","9.0452","0.0004","19.7411","0.0009","90","","90","","90","","1217.94","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","A General and Efficient Synthesis of Pyridin-2-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Amino, and Carbamoyl Groups in Position 6","Journal of Organic Chemistry","2010","75","","442","449","10.1021/jo902313g","","","1.54184","CuKα","","0.0419","0.0364","","0.0453","0.0419","0.0419","","","","","","1.0933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025173","3.8605","0.0015","16.025","0.006","6.053","0.002","90","","92.31","0.005","90","","374.2","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 N2 S2 -","- C8 H4 N2 S2 -","- C16 H8 N4 S4 -","2","0.5","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0535","0.0409","","","0.101","0.1097","","","","","","1.053","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025174","8.0071","0.0013","6.5112","0.001","10.013","0.0016","90","","112.755","0.002","90","","481.4","0.13","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C20 H16 N4 S4 -","2","0.5","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0474","0.0339","","","0.081","0.0882","","","","","","1.033","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025175","6.3376","0.0017","7.334","0.002","12.454","0.003","93.007","0.004","100.106","0.004","99.647","0.004","559.8","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 S2 -","- C10 H6 Cl2 N2 S2 -","- C20 H12 Cl4 N4 S4 -","2","1","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0707","0.044","","","0.1063","0.121","","","","","","0.947","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025176","7.9438","0.0006","8.8059","0.0012","9.4063","0.0007","101.693","0.001","112.534","0.001","103.475","0.001","558.93","0.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N2 O6 P2 S2 -","- C18 H24 N2 O6 P2 S2 -","- C18 H24 N2 O6 P2 S2 -","1","0.5","","Jared F. Mike; Jeremy J. Inteman; Arkady Ellern; Malika Jeffries-EL","Facile Synthesis of 2,6-Disubstituted Benzobisthiazoles: Functional Monomers for the Design of Organic Semiconductors","Journal of Organic Chemistry","2010","75","","495","497","10.1021/jo9023864","","","0.71073","MoKα","","0.0424","0.0375","","","0.112","0.1166","","","","","","1.041","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025177","13.5377","0.0013","10.8139","0.001","12.5091","0.0012","90","","98.321","0.002","90","","1812","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 S4 -","- C18 H26 O2 S4 -","- C72 H104 O8 S16 -","4","1","","Larry E. Overman; Paul S. Tanis","Origin of Stereocontrol in the Construction of the 12-Oxatricyclo[6.3.1.02,7]dodecane Ring System by Prins-Pinacol Reactions","Journal of Organic Chemistry","2010","75","","455","463","10.1021/jo9024144","","","0.71073","MoKα","","0.0303","0.0268","","","0.0705","0.0725","","","","","","1.052","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025178","9.5827","0.0001","22.2922","0.0003","10.7623","0.0001","90","","107.858","0.0006","90","","2188.27","0.04","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Tanya A. Bradford; Alan D. Payne; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Practical Synthesis and Reactivity of [3]Dendralene","Journal of Organic Chemistry","2010","75","","491","494","10.1021/jo9024557","","","0.71073","MoKα","","0.0455","0.0338","","0.0905","0.0873","0.0905","","","","","","0.9395","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025179","13.5262","0.0002","9.4585","0.0001","14.0927","0.0002","90","","114.902","0.0009","90","","1635.36","0.04","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Tanya A. Bradford; Alan D. Payne; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Practical Synthesis and Reactivity of [3]Dendralene","Journal of Organic Chemistry","2010","75","","491","494","10.1021/jo9024557","","","0.71073","MoKα","","0.0445","0.035","","0.0965","0.0934","0.0965","","","","","","0.9469","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025180","8.609","0.0017","11.007","0.002","13.027","0.003","72.25","0.03","82.15","0.03","77.59","0.03","1144.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C52 H44 N4 O4 S2 -","2","1","","Tuan-jie Meng; Yimin Hu; Shaowu Wang","Efficient Construction of Five-Membered Aromatic and Nonaromatic Heterocycles from 1,6-Enynes by a Palladium-Catalyzed Domino Coupling/Cycloisomerization Process","Journal of Organic Chemistry","2010","75","","582","588","10.1021/jo9020776","","","0.71073","MoKα","","0.1211","0.0768","","","0.1654","0.2013","","","","","","1","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025181","22.5786","0.0006","9.7342","0.0004","18.7906","0.0005","90","","112.34","0.0019","90","","3819.9","0.2","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H18 Cl5 N -","- C20.5 H18 Cl5 N -","- C164 H144 Cl40 N8 -","8","1","","Chris D. Smith; Julia I. Gavrilyuk; Alan J. Lough; Robert A. Batey","Lewis Acid Catalyzed Three-Component Hetero-Diels-Alder (Povarov) Reaction of N-Arylimines with Strained Norbornene-Derived Dienophiles","Journal of Organic Chemistry","2010","75","","702","715","10.1021/jo9021106","","","0.71073","MoKα","","0.0695","0.045","","","0.1077","0.1229","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025182","27.6595","0.0009","7.7863","0.0003","26.8403","0.0006","90","","103.851","0.0019","90","","5612.4","0.3","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C256 H336 N16 O32 -","16","2","","Chris D. Smith; Julia I. Gavrilyuk; Alan J. Lough; Robert A. Batey","Lewis Acid Catalyzed Three-Component Hetero-Diels-Alder (Povarov) Reaction of N-Arylimines with Strained Norbornene-Derived Dienophiles","Journal of Organic Chemistry","2010","75","","702","715","10.1021/jo9021106","","","0.71073","MoKα","","0.1509","0.0593","","","0.1276","0.1667","","","","","","0.964","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025183","6.3509","0.0003","13.2208","0.0007","22.7372","0.0011","90","","94.873","0.003","90","","1902.21","0.16","150","1","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Cl2 N O2 -","- C22 H21 Cl2 N O2 -","- C88 H84 Cl8 N4 O8 -","4","1","","Chris D. Smith; Julia I. Gavrilyuk; Alan J. Lough; Robert A. Batey","Lewis Acid Catalyzed Three-Component Hetero-Diels-Alder (Povarov) Reaction of N-Arylimines with Strained Norbornene-Derived Dienophiles","Journal of Organic Chemistry","2010","75","","702","715","10.1021/jo9021106","","","0.71073","MoKα","","0.1189","0.0501","","","0.1027","0.1249","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025184","13.6787","0.0003","15.7928","0.0003","17.9803","0.0004","90","","107.204","0.0011","90","","3710.4","0.14","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C168 H128 Cl16 O24 -","8","2","","Haruyasu Asahara; Kohta Saito; Naohiko Ikuma; Takumi Oshima","Kinetic Evidence for Dihapto (η2) π-Aryl Participation in Acid-Catalyzed Ring Opening of Diarylhomobenzoquinone Epoxides","Journal of Organic Chemistry","2010","75","","733","740","10.1021/jo902179x","","","1.54187","CuKα","","","0.0762","","","","0.2478","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025185","8.9422","0.0002","10.7454","0.0003","10.7371","0.0003","90","","110.343","0.0014","90","","967.35","0.04","296.1","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C46 H44 O10 -","2","1","","Haruyasu Asahara; Kohta Saito; Naohiko Ikuma; Takumi Oshima","Kinetic Evidence for Dihapto (η2) π-Aryl Participation in Acid-Catalyzed Ring Opening of Diarylhomobenzoquinone Epoxides","Journal of Organic Chemistry","2010","75","","733","740","10.1021/jo902179x","","","1.54187","CuKα","","","0.0481","","","","0.122","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025186","5.683","0.002","16.352","0.006","22.299","0.009","90","","90","","90","","2072.2","1.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O4 S -","- C21 H28 N2 O4 S -","- C84 H112 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0696","0.0464","","","0.092","0.1016","","","","","","1.052","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025187","5.8273","0.001","15.945","0.003","24.097","0.004","90","","90","","90","","2239","0.7","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N2 O4 S -","- C23 H32 N2 O4 S -","- C92 H128 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0546","0.0485","","","0.1048","0.1086","","","","","","1.08","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025188","5.3975","0.0005","13.4459","0.0011","29.519","0.003","90","","90","","90","","2142.3","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0409","0.0339","","","0.0698","0.0733","","","","","","0.981","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025189","9.02","0.002","18.831","0.003","30.265","0.005","90","","95.108","0.003","90","","5120.3","1.6","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N O3 -","- C33 H31 N O3 -","- C264 H248 N8 O24 -","8","2","","Artem A. Kulago; Emile M. Mes; Martin Klok; Auke Meetsma; Albert M. Brouwer; Ben L. Feringa","Ultrafast Light-Driven Nanomotors Based on an Acridane Stator","Journal of Organic Chemistry","2010","75","","666","679","10.1021/jo902207x","","","0.71073","MoKα","","0.0938","0.0502","","","0.1027","0.1176","","","","","","1.009","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025190","8.1504","0.0004","13.688","0.0009","20.7496","0.0014","90","","91.897","0.005","90","","2313.6","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 O5 -","- C16 H8 O5 -","- C128 H64 O40 -","8","2","","Anthony J. Lawrence; Michael G. Hutchings; Alan R. Kennedy; Joseph J. W. McDouall","Benzodifurantrione: A Stable Phenylogous Enol","Journal of Organic Chemistry","2010","75","","690","701","10.1021/jo9022155","","","1.5418","CuKα","","0.119","0.0458","","","0.0951","0.1079","","","","","","0.754","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025191","9.368","0.002","10.165","0.002","14.648","0.003","90","","93.391","0.005","90","","1392.4","0.5","173","","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(Benzyloxy)-2,4,6-trimethylnicotinnitrile","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Tilman Lechel; Jyotirmayee Dash; Paul Hommes; Dieter Lentz; Hans-Ulrich Reissig","Three-Component Synthesis of Perfluoroalkyl- or Perfluoroaryl-Substituted 4-Hydroxypyridine Derivatives and Their Palladium-Catalyzed Coupling Reactions","Journal of Organic Chemistry","2010","75","","726","732","10.1021/jo9022183","","","0.71073","MoKα","","0.091","0.0536","","","0.1416","0.1605","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025192","17.002","0.003","17.002","0.003","31.216","0.011","90","","90","","90","","9024","4","133","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-tert-Butyl-3,4,5-triphenyl-6-(trifluoromethyl)pyridine","","- C28 H24 F3 N -","- C28 H24 F3 N -","- C448 H384 F48 N16 -","16","1","","Tilman Lechel; Jyotirmayee Dash; Paul Hommes; Dieter Lentz; Hans-Ulrich Reissig","Three-Component Synthesis of Perfluoroalkyl- or Perfluoroaryl-Substituted 4-Hydroxypyridine Derivatives and Their Palladium-Catalyzed Coupling Reactions","Journal of Organic Chemistry","2010","75","","726","732","10.1021/jo9022183","","","0.71073","MoKα","","0.0971","0.0675","","","0.1788","0.2104","","","","","","1.092","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4025193","14.393","0.003","9.2214","0.0018","23.961","0.005","90","","93.52","0.03","90","","3174.2","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43.5 N12 -","- C32 H43.711 N12 -","- C128 H174.844 N48 -","4","1","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0997","0.0686","","","0.1593","0.1735","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025194","17.896","0.003","17.896","0.003","16.855","0.003","90","","90","","90","","5398.1","1.6","173","2","173","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H44 N12 O4 -","- C48 H44 N12 O4 -","- C192 H176 N48 O16 -","4","0.25","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0916","0.0856","","","0.1732","0.1764","","","","","","1.251","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025195","11.065","0.002","14.93","0.003","17.57","0.003","112.7","0.03","100.32","0.03","101.42","0.03","2517.7","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 Br3 N12 -","- C20 H17 Br3 N12 -","- C80 H68 Br12 N48 -","4","2","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0644","0.0532","","","0.1244","0.1306","","","","","","1.094","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025196","9.774","0.002","11.296","0.002","12.97","0.003","84.32","0.03","74.96","0.03","72.97","0.03","1321.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Br2 N13 O2 -","- C24 H23 Br2 N13 O2 -","- C48 H46 Br4 N26 O4 -","2","1","","Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles","Journal of Organic Chemistry","2010","75","","741","747","10.1021/jo902245q","","","0.71073","MoKα","","0.0419","0.0365","","","0.0894","0.0924","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025197","11.537","0.007","14.916","0.007","7.794","0.004","90","","90","","90","","1341.2","1.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 I O2 -","- C16 H13 I O2 -","- C64 H52 I4 O8 -","4","1","","Raffaella Mancuso; Saurabh Mehta; Bartolo Gabriele; Giuseppe Salerno; William S. Jenks; Richard C. Larock","A Simple and Mild Synthesis of 1H-Isochromenes and (Z)-1-Alkylidene-1,3-dihydroisobenzofurans by the Iodocyclization of 2-(1-Alkynyl)benzylic Alcohols","Journal of Organic Chemistry","2010","75","","897","901","10.1021/jo902333y","","","0.71073","MoKα","","0.0583","0.0408","","","0.0974","0.1137","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025198","11.2638","0.0019","10.3724","0.0018","15.229","0.003","90","","108.35","0.003","90","","1688.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 I O -","- C19 H19 I O -","- C76 H76 I4 O4 -","4","1","","Raffaella Mancuso; Saurabh Mehta; Bartolo Gabriele; Giuseppe Salerno; William S. Jenks; Richard C. Larock","A Simple and Mild Synthesis of 1H-Isochromenes and (Z)-1-Alkylidene-1,3-dihydroisobenzofurans by the Iodocyclization of 2-(1-Alkynyl)benzylic Alcohols","Journal of Organic Chemistry","2010","75","","897","901","10.1021/jo902333y","","","0.71073","MoKα","","0.0271","0.0246","","","0.061","0.0626","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025199","7.7954","0.0015","14.349","0.003","17.845","0.004","90","","90","","90","","1996.1","0.7","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","Thomas C. Pijper; Dirk Pijper; Michael M. Pollard; Frédéric Dumur; Stephen G. Davey; Auke Meetsma; Ben L. Feringa","An Enantioselective Synthetic Route toward Second-Generation Light-Driven Rotary Molecular Motors","Journal of Organic Chemistry","2010","75","","825","838","10.1021/jo902348u","","","0.71073","MoKα","","0.067","0.0429","","","0.0761","0.0832","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025200","19.2693","0.0006","19.2693","0.0006","7.4979","0.0001","90","","90","","90","","2784.01","0.13","200","","200","","","","","","","","from U Wollongong","5","P 42","P 4c","77","","","","- C28 H39 N O4 Si -","- C28 H39 N O4 Si -","- C112 H156 N4 O16 Si4 -","4","1","","Thunwadee Ritthiwigrom; Anthony C. Willis; Stephen G. Pyne","Total Synthesis of Uniflorine A, Casuarine, Australine, 3-epi-Australine, and 3,7-Di-epi-australine from a Common Precursor","Journal of Organic Chemistry","2010","75","","815","824","10.1021/jo902355p","","","0.71073","MoKα","","0.0506","0.035","","0.0777","0.0732","0.0777","","","","","","0.8724","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025201","10.9112","0.0009","7.7032","0.0007","34.108","0.003","90","","90","","90","","2866.8","0.4","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H20 F6 -","- C42 H20 F6 -","- C168 H80 F24 -","4","0.5","","Jinling Li; Kai Zhang; Xiaojie Zhang; Kuo-Wei Huang; Chunyan Chi; Jishan Wu","meso-Substituted Bisanthenes as Soluble and Stable Near-infrared Dyes","Journal of Organic Chemistry","2010","75","","856","863","10.1021/jo902413h","","","0.71073","MoKα","","0.1053","0.0775","","","0.1543","0.167","","","","","","1.109","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025202","6.109","0.0005","15.4595","0.0013","18.0045","0.0015","90","","90","","90","","1700.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H26 N O S Si -","- C13 H26 N O S Si -","- C52 H104 N4 O4 S4 Si4 -","4","1","","Bai-Ling Chen; Bing Wang; Guo-Qiang Lin","Highly Diastereoselective Addition of Alkynylmagnesium Chlorides to N-tert-Butanesulfinyl Aldimines: A Practical and General Access to Chiral α-Branched Amines","Journal of Organic Chemistry","2010","75","","941","944","10.1021/jo902424m","","","0.71073","MoKα","","0.0744","0.0459","","","0.1017","0.1171","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025203","7.591","0.002","7.82","0.002","8.966","0.003","98.326","0.004","101.303","0.004","116.283","0.004","451.4","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C22 H20 N4 -","2","1","","Glenn A. Burley; David L. Davies; Gerry A. Griffith; Michael Lee; Kuldip Singh","Cu-Catalyzed N-Alkynylation of Imidazoles, Benzimidazoles, Indazoles, and Pyrazoles Using PEG as Solvent Medium","Journal of Organic Chemistry","2010","75","","980","983","10.1021/jo902466f","","","0.71073","MoKα","","0.1004","0.0941","","","0.2539","0.2654","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025204","17.803","0.013","5.777","0.004","12.736","0.01","90","","90.71","0.02","90","","1309.8","1.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Glenn A. Burley; David L. Davies; Gerry A. Griffith; Michael Lee; Kuldip Singh","Cu-Catalyzed N-Alkynylation of Imidazoles, Benzimidazoles, Indazoles, and Pyrazoles Using PEG as Solvent Medium","Journal of Organic Chemistry","2010","75","","980","983","10.1021/jo902466f","","","0.71073","MoKα","","0.2773","0.0994","","","0.2167","0.3129","","","","","","0.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025205","14.93","0.03","7.443","0.007","16.84","0.02","90","","94.837","0.009","90","","1865","5","150.1","","150.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O5 S -","- C19 H26 O5 S -","- C76 H104 O20 S4 -","4","1","","Nobuko Watanabe; Masato Kikuchi; Yuusuke Maniwa; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Sulfanyl-, Sulfinyl-, and Sulfonyl-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescence","Journal of Organic Chemistry","2010","75","","879","884","10.1021/jo902477n","","","0.7107","MoKα","","","0.057","","","","0.174","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025206","8.26","0.01","19","0.02","12.758","0.012","90","","104.12","0.02","90","","1942","4","120.1","","120.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 O7 S -","- C19 H26 O7 S -","- C76 H104 O28 S4 -","4","1","","Nobuko Watanabe; Masato Kikuchi; Yuusuke Maniwa; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Sulfanyl-, Sulfinyl-, and Sulfonyl-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescence","Journal of Organic Chemistry","2010","75","","879","884","10.1021/jo902477n","","","0.7107","MoKα","","","0.05","","","","0.126","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025207","13.862","0.008","18.871","0.009","13.182","0.007","90","","112.2","1","90","","3193","2","113.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H26 Cl2 O -","- C43 H24 Cl2 O -","- C172 H96 Cl8 O4 -","4","1","","Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe","Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds","Journal of Organic Chemistry","2010","75","","906","913","10.1021/jo902482n","","","0.7107","MoKα","","","0.0752","","","","0.2031","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025208","14.49","0.006","11.893","0.004","21.667","0.008","90","","108.022","0.005","90","","3551","2","153.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H29 N O -","- C50.5 H29 N O0.5 -","- C202 H116 N4 O2 -","4","1","","Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe","Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds","Journal of Organic Chemistry","2010","75","","906","913","10.1021/jo902482n","","","0.7107","MoKα","","","0.0695","","","","0.086","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025209","23.11","0.015","9.92","0.006","14.678","0.01","90","","95.349","0.003","90","","3350","4","153.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 S -","- C49 H24 S -","- C196 H96 S4 -","4","0.5","","Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe","Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds","Journal of Organic Chemistry","2010","75","","906","913","10.1021/jo902482n","","","0.7107","MoKα","","","0.0622","","","","0.1191","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025210","6.3664","0.001","8.9574","0.0014","34.323","0.005","90","","94.721","0.003","90","","1950.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br O -","- C25 H19 Br O -","- C100 H76 Br4 O4 -","4","1","","Xiang-Ying Tang; Min Shi","A Synthetic Protocol of Trans-Substituted Cyclopentenes via the Ring-Opening Rearrangement of MCP Alkenyl Derivatives","Journal of Organic Chemistry","2010","75","","902","905","10.1021/jo902512q","","","0.71073","MoKα","","0.1044","0.0461","","","0.1036","0.1325","","","","","","0.802","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025211","11.828","0.0005","8.994","0.0003","10.1781","0.0003","90","","105.906","0.0015","90","","1041.3","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dm-15f","2-oxabiciclo[3,2,0]heptano","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","","Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez","Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane","Journal of Organic Chemistry","2010","75","","545","552","10.1021/jo9025258","","","0.71073","MoKα","","0.0896","0.0526","","","0.1318","0.1508","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025212","15.151","0.0004","8.909","0.0006","17.225","0.0008","90","","90","","90","","2325","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F3 N O4 -","- C10 H12 F3 N O4 -","- C80 H96 F24 N8 O32 -","8","1","","Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez","Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane","Journal of Organic Chemistry","2010","75","","545","552","10.1021/jo9025258","","","0.71073","MoKα","","0.0871","0.0619","","","0.1561","0.1764","","","","","","1.117","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025213","17.109","0.005","5.1775","0.0016","20.234","0.006","90","","103.901","0.004","90","","1739.9","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","2","","Fujii, Hideaki; Imaide, Satomi; Watanabe, Akio; Yoza, Kenji; Nakajima, Mayumi; Nakao, Kaoru; Mochizuki, Hidenori; Sato, Noriko; Nemoto, Toru; Nagase, Hiroshi","A Double Decarboxylation Reaction of an Oxazolidinone and Carboxylic Acid: Its Application to the Synthesis of a New Opioid Lead Compound","Journal of Organic Chemistry","2010","75","3","995","998","10.1021/jo9025463","","","0.71073","MoKα","","0.0908","0.0611","","","0.1398","0.1558","","","","","","1.005","","","","has coordinates","210082","2020-10-21","18:00:00",""
"4025214","9.712","0.003","16.782","0.006","10.548","0.002","90","","94.34","0.02","90","","1714.3","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C72 H108 N4 O12 -","4","1","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0805","0.0456","","","0.0949","0.111","","","","","","1.036","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025215","9.96","0.003","10.936","0.004","13.069","0.003","90","","105.59","0.02","90","","1371.1","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O -","- C14 H23 N O -","- C56 H92 N4 O4 -","4","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0723","0.0508","","","0.1219","0.1367","","","","","","1.022","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025216","12.7366","0.0006","16.7329","0.0008","20.3046","0.0008","90","","90","","90","","4327.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O3 -","- C23 H33 N O3 -","- C184 H264 N8 O24 -","8","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0784","0.0553","","","0.1299","0.1538","","","","","","1.232","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025217","20.4898","0.0007","19.6511","0.0007","10.7957","0.0003","90","","93.122","0.002","90","","4340.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O3 -","- C24 H35 N O3 -","- C192 H280 N8 O24 -","8","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.1412","0.1035","","","0.2455","0.2781","","","","","","1.14","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025218","41.4565","0.0014","13.3049","0.0004","20.3912","0.0004","90","","104.578","0.002","90","","10885.2","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C512 H592 N16 O48 -","16","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.1514","0.0908","","","0.1436","0.1684","","","","","","1.562","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025219","11.357","","19.644","","20.167","","70.84","","87","","81.05","","4198.22","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H113 Cl2 N3 -","- C97 H113 Cl2 N3 -","- C194 H226 Cl4 N6 -","2","1","","Eva M. García-Frutos; Gunther Hennrich; Enrique Gutierrez; Angeles Monge; Berta Gómez-Lor","Self-Assembly of C3-Symmetrical Hexaaryltriindoles Driven by Solvophobic and CH-π Interactions","Journal of Organic Chemistry","2010","75","","1070","1076","10.1021/jo902013v","","","0.71073","MoKα","","0.2263","0.1731","","","0.3997","0.4314","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025220","16.998","0.003","17.548","0.003","19.521","0.004","76.506","0.004","70.271","0.003","85.488","0.004","5329.6","1.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H125 N9 O5 -","- C112 H125 N9 O5 -","- C224 H250 N18 O10 -","2","1","","Eva M. García-Frutos; Gunther Hennrich; Enrique Gutierrez; Angeles Monge; Berta Gómez-Lor","Self-Assembly of C3-Symmetrical Hexaaryltriindoles Driven by Solvophobic and CH-π Interactions","Journal of Organic Chemistry","2010","75","","1070","1076","10.1021/jo902013v","","","0.71073","MoKα","","0.2559","0.1352","","","0.3524","0.3988","","","","","","1.044","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025221","12.7243","0.0006","7.8174","0.0003","14.303","0.0006","90","","90.712","0.002","90","","1422.62","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O2 S3 -","- C16 H12 O2 S3 -","- C64 H48 O8 S12 -","4","1","","Changsik Song; Timothy M. Swager","Reactive Conducting Thiepin Polymers","Journal of Organic Chemistry","2010","75","","999","1005","10.1021/jo902079j","","","0.71073","MoKα","","0.0337","0.0299","","","0.0818","0.0851","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025222","12.9363","0.0005","7.8335","0.0003","14.2432","0.0004","90","","91.288","0.001","90","","1442.99","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 S3 -","- C16 H12 O3 S3 -","- C64 H48 O12 S12 -","4","1","","Changsik Song; Timothy M. Swager","Reactive Conducting Thiepin Polymers","Journal of Organic Chemistry","2010","75","","999","1005","10.1021/jo902079j","","","0.71073","MoKα","","0.0391","0.0375","","","0.106","0.1072","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025223","10.14","0.002","5.7779","0.0012","16.691","0.003","90","","104.79","0.03","90","","945.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Br O5 P -","- C18 H22 Br O5 P -","- C36 H44 Br2 O10 P2 -","2","1","","Sampak Samanta; Sandun Perera; Cong-Gui Zhao","Organocatalytic Enantioselective Synthesis of Both Diastereomers of α-Hydroxyphosphinates","Journal of Organic Chemistry","2010","75","","1101","1106","10.1021/jo9022099","","","0.7107","MoKα","","0.048","0.044","","","0.091","0.094","","","","","","1.06","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025224","16.0988","0.0003","22.0048","0.0007","17.5308","0.0005","90","","113.034","0.001","90","","5715.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 S -","- C21 H23 N O2 S -","- C252 H276 N12 O24 S12 -","12","3","","Sun Young Kim; Young Keun Chung","Rhodium(I)-Catalyzed Cycloisomerization of 1,6-Enynes to Bicyclo[4.1.0]heptenes","Journal of Organic Chemistry","2010","75","","1281","1284","10.1021/jo902273x","","","0.71073","MoKα","","0.1297","0.0882","","","0.233","0.278","","","","","","1.051","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025225","7.0615","0.0006","10.5166","0.0009","15.2154","0.0014","87.908","0.002","78.661","0.002","72.122","0.001","1054.04","0.16","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","2","","Nitin T. Patil; Rahul D. Kavthe; Vivek S. Raut; Valmik S. Shinde; Balasubramanian Sridhar","Gold- and Platinum-Catalyzed Formal Markownikoff's Double Hydroamination of Alkynes: A Rapid Access to Tetrahydroquinazolinones and Angularly-Fused Analogues Thereof","Journal of Organic Chemistry","2010","75","","1277","1280","10.1021/jo902293f","","","0.71073","MoKα","","0.047","0.0392","","","0.1046","0.1112","","","","","","1.025","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025226","6.755","0.0001","8.427","0.0002","25.7","0.0004","90","","90","","90","","1462.96","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 Cl N -","- C14 H26 Cl N -","- C56 H104 Cl4 N4 -","4","1","","Juan A. Faraldos; Benson Kariuki; Rudolf K. Allemann","Intermediacy of Eudesmane Cation during Catalysis by Aristolochene Synthase","Journal of Organic Chemistry","2010","75","","1119","1125","10.1021/jo902397v","","","0.71073","MoKα","","0.0496","0.0416","","","0.0971","0.1029","","","","","","1.056","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025227","5.6689","0.0003","16.693","0.0008","8.1306","0.0004","90","","100.449","0.002","90","","756.65","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 F2 N4 -","- C14 H24 F2 N4 -","- C28 H48 F4 N8 -","2","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0469","0.0367","","","0.0945","0.1007","","","","","","1.055","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025228","20.0324","0.001","23.7621","0.0014","22.2774","0.0012","90","","115.616","0.002","90","","9562","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B F24 N4 -","- C46 H38 B F24 N4 -","- C368 H304 B8 F192 N32 -","8","2","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0869","0.0505","","","0.1316","0.1542","","","","","","0.95","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025229","10.0811","0.0014","11.002","0.002","22.144","0.004","84.315","0.003","85.095","0.005","78.11","0.005","2386.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 B F24 N4 -","- C46 H38 B F24 N4 -","- C92 H76 B2 F48 N8 -","2","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0831","0.0475","","","0.0983","0.1126","","","","","","1.021","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025230","8.8766","0.001","12.1306","0.0012","22.447","0.003","90","","90","","90","","2417.1","0.5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H29 F12 N5 P2 -","- C16 H29 F12 N5 P2 -","- C64 H116 F48 N20 P8 -","4","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0391","0.0317","","","0.0823","0.0879","","","","","","1.018","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025231","12.5482","0.001","8.0967","0.0007","13.0553","0.0011","90","","117.338","0.004","90","","1178.26","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Tetrakis(piperidylamino)benzene","","","- C26 H42 N4 -","- C26 H42 N4 -","- C52 H84 N8 -","2","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0628","0.0472","","","0.1188","0.1268","","","","","","1.062","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025232","12.2176","0.0004","12.7937","0.0004","21.1705","0.0006","97.433","0.002","96.91","0.002","117.617","0.001","2845.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 B F24 N4 -","- C58 H54 B F24 N4 -","- C116 H108 B2 F48 N8 -","2","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.1046","0.079","","","0.2247","0.2554","","","","","","1.055","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025233","13.5646","0.0005","17.3356","0.0006","18.3183","0.0007","90","","103.854","0.002","90","","4182.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 I10 N4 -","- C26 H42 I10 N4 -","- C104 H168 I40 N16 -","4","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.0407","0.0282","","","0.0595","0.0628","","","","","","1.098","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025234","7.99","0.003","6.322","0.002","20.989","0.008","90","","92.353","0.006","90","","1059.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.075","0.0662","","","0.2007","0.2048","","","","","","1.211","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025235","10.3234","0.0012","16.922","0.002","16.18","0.0018","90","","94.011","0.007","90","","2819.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 F12 N4 O4 P2 -","- C22 H34 F12 N4 O4 P2 -","- C88 H136 F48 N16 O16 P8 -","4","1","","Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood","On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes","Journal of Organic Chemistry","2010","75","","1168","1178","10.1021/jo902411b","","","0.71073","MoKα","","0.1027","0.0572","","","0.1294","0.1513","","","","","","0.943","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025236","10.9842","0.0019","12.015","0.002","24.528","0.005","90","","101.958","0.004","90","","3166.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 N4 O3 -","- C43 H28 N4 O3 -","- C172 H112 N16 O12 -","4","1","","Subhadeep Banerjee; Matthias Zeller; Christian Brückner","OsO4-Mediated Dihydroxylation of meso-Tetraphenylporphyrin N-Oxide and Transformation of the Resulting Diolchlorin N-Oxide Regioisomers","Journal of Organic Chemistry","2010","75","","1179","1187","10.1021/jo9024286","","","0.71073","MoKα","","0.0772","0.0629","","","0.1342","0.141","","","","","","1.198","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025237","10.2029","0.0002","10.3818","0.0002","25.7025","0.0004","90","","90","","90","","2722.52","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Br N3 O4 S -","- C29 H30 Br N3 O4 S -","- C116 H120 Br4 N12 O16 S4 -","4","1","","Francis N. Murigi; Gary S. Nichol; Eugene A. Mash","Synthesis of the Conformationally Constrained Tyrosine Analogues, (R)- and (S)-5-Hydroxy-2-aminoindan-2-carboxylic Acids","Journal of Organic Chemistry","2010","75","","1293","1296","10.1021/jo902438s","","","1.54178","CuKα","","0.0463","0.0433","","","0.1011","0.1024","","","","","","1.196","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025238","7.1895","0.0002","6.1491","0.0002","11.6112","0.0004","90","","106.281","0.001","90","","492.73","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Francis N. Murigi; Gary S. Nichol; Eugene A. Mash","Synthesis of the Conformationally Constrained Tyrosine Analogues, (R)- and (S)-5-Hydroxy-2-aminoindan-2-carboxylic Acids","Journal of Organic Chemistry","2010","75","","1293","1296","10.1021/jo902438s","","","1.54178","CuKα","","0.03","0.0288","","","0.0697","0.0705","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025239","11.5977","0.0009","16.253","0.002","11.883","0.004","90","","90.64","0.02","90","","2239.8","0.8","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O2 -","- C26 H31 N O2 -","- C104 H124 N4 O8 -","4","1","","Stephen G. Davies; Christopher J. Goodwin; David Hepworth; Paul M. Roberts; James E. Thomson","On the Origins of Diastereoselectivity in the Alkylation of Enolates Derived from N-1-(1'-Naphthyl)ethyl-O-tert-butylhydroxamates: Chiral Weinreb Amide Equivalents","Journal of Organic Chemistry","2010","75","","1214","1227","10.1021/jo902499s","","","0.71073","MoKα","","","0.049","","","","0.059","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025240","17.973","0.005","7.4851","0.0018","8.244","0.002","90","","93.482","0.015","90","","1107","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","NDT","NDT","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.1162","0.0932","","","0.252","0.2846","","","","","","0.94","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025241","6.542","0.004","9.1","0.006","19.268","0.012","90","","90","","90","","1147.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","NDS","NDS","","- C14 H8 Se2 -","- C14 H8 Se2 -","- C56 H32 Se8 -","4","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0543","0.0375","","","0.0755","0.0797","","","","","","0.723","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025242","5.369","0.009","11.119","0.019","12.03","0.02","109.24","0.02","98.78","0.02","93.683","0.019","665","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C8-NDT","C8-NDT","","- C30 H40 S2 -","- C30 H40 S2 -","- C30 H40 S2 -","1","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0704","0.0518","","","0.1263","0.1324","","","","","","0.73","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025243","6.823","0.007","7.355","0.008","19.05","0.02","90","0.004","90.427","0.004","90","0.004","956","1.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-NDT","DPh-NDT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0674","0.0519","","","0.1201","0.1268","","","","","","0.848","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025244","9.5287","0.0003","17.6893","0.0006","9.7101","0.0003","90","","91.9406","0.0016","90","","1635.76","0.09","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Michael Krayer; Marcin Ptaszek; Han-Je Kim; Kelly R. Meneely; Dazhong Fan; Kristen Secor; Jonathan S. Lindsey","Expanded Scope of Synthetic Bacteriochlorins via Improved Acid Catalysis Conditions and Diverse Dihydrodipyrrin-Acetals","Journal of Organic Chemistry","2010","75","","1016","1039","10.1021/jo9025572","","","0.71073","MolybdenumKα","","0.087","0.066","","0.065","0.06","","","","","1.54","1.54","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4025245","28.7675","0.001","8.4494","0.0003","17.6278","0.0008","90","","126.142","0.003","90","","3460.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O -","- C23 H17 N O -","- C184 H136 N8 O8 -","8","1","","Guo-Lin Gao; Yan-Ning Niu; Ze-Yi Yan; Hong-Li Wang; Gang-Wei Wang; Ali Shaukat; Yong-Min Liang","Unexpected Domino Reaction via Pd-Catalyzed Sonogashira Coupling of Benzimidoyl Chlorides with 1,6-Enynes and Cyclization To Synthesize Quinoline Derivatives","Journal of Organic Chemistry","2010","75","","1305","1308","10.1021/jo9026116","","","0.71073","MoKα","","0.0818","0.0422","","","0.1085","0.1286","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025246","25.8992","0.0011","10.2927","0.0005","18.4191","0.0009","90","","115.095","0.002","90","","4446.6","0.4","296","1","296","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 Cl2 O6 -","- C57 H52 Cl2 O6 -","- C228 H208 Cl8 O24 -","4","0.5","","Yunkui Liu; Jianqiang Qian; Shaojie Lou; Jie Zhu; Zhenyuan Xu","Gold(III)-Catalyzed Tandem Reaction of Ketones with Phenols: Efficient and Highly Selective Synthesis of Functionalized 4H-Chromenes","Journal of Organic Chemistry","2010","75","","1309","1312","10.1021/jo902619x","","","0.71073","MoKα","","0.0857","0.0599","","","0.1549","0.1725","","","","","","1.004","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025247","7.7022","0.0015","6.0157","0.0012","10.457","0.002","90","","98.48","0.03","90","","479.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cl2 N2 Pd -","- C4 H14 Cl2 N2 Pd -","- C8 H28 Cl4 N4 Pd2 -","2","0.5","","Yanxia Shen; Huanfeng Jiang; Zhengwang Chen","PdCl2(HNMe2)2-Catalyzed Highly Selective Cross [2 + 2 + 2] Cyclization of Alkynoates and Alkenes under Molecular Oxygen","Journal of Organic Chemistry","2010","75","","1321","1324","10.1021/jo902636g","","","0.71073","MoKα","","0.0335","0.0329","","","0.0922","0.0929","","","","","","1.161","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025248","13.62","0.003","19.411","0.004","8.0165","0.0016","90","","104.32","0.03","90","","2053.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O10 -","- C21 H18 O10 -","- C84 H72 O40 -","4","1","","Yanxia Shen; Huanfeng Jiang; Zhengwang Chen","PdCl2(HNMe2)2-Catalyzed Highly Selective Cross [2 + 2 + 2] Cyclization of Alkynoates and Alkenes under Molecular Oxygen","Journal of Organic Chemistry","2010","75","","1321","1324","10.1021/jo902636g","","","0.71073","MoKα","","0.0687","0.0407","","","0.1058","0.1343","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025249","9.9367","0.0009","16.582","0.0015","10.9892","0.001","90","","103.585","0.001","90","","1760","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3,3-tetrakis(trifluoromethanesulfonyl)propane","","- C7 H4 F12 O8 S4 -","- C7 H4 F12 O8 S4 -","- C28 H16 F48 O32 S16 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0384","0.0284","","","0.0621","0.0666","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025250","6.2196","0.0016","10.038","0.003","10.899","0.003","73.247","0.002","85.069","0.003","89.251","0.003","649.1","0.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","(R*)-3-bromo-5-((S*)-3-oxo-1-phenylbutyl)furan-2(5H)-one","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C28 H26 Br2 O6 -","2","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0383","0.037","","","0.1106","0.1117","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025251","6.2821","0.0012","15.603","0.003","14.722","0.003","90","","101.736","0.002","90","","1412.9","0.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R*)-3-bromo-5-((S*)-1-cyclohexyl-3-oxobutyl)-5H-furan-2-one","","- C14 H19 Br O3 -","- C14 H19 Br O3 -","- C56 H76 Br4 O12 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0318","0.027","","","0.0707","0.0729","","","","","","1.051","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025252","9.477","0.003","10.226","0.003","17.617","0.005","90","","93.78","0.003","90","","1703.6","0.9","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S*)-3-bromo-5-((R*)-1-cyclohexyl-4,4-dimethyl-3-oxopentyl)-5H-furan-2-one","","- C17 H25 Br O3 -","- C17 H25 Br O3 -","- C68 H100 Br4 O12 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.047","0.0362","","","0.0964","0.1023","","","","","","1.021","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025253","21.609","0.004","8.9577","0.0016","15.245","0.003","90","","90","","90","","2950.9","1","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(R*)-3-bromo-5-((2S*,3S*)-5-oxo-2-phenylhexan-3-yl)-5H-furan-2-one","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C128 H136 Br8 O24 -","8","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0398","0.0303","","","0.0759","0.0811","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025254","20.354","0.006","10.517","0.003","7.131","0.002","90","","90","","90","","1526.5","0.8","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(S*)-3-bromo-5-((R*)-1-cyclohexyl-3-oxobutyl)-5-methyl-5H-furan-2-one","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Arata Takahashi; Hikaru Yanai; Min Zhang; Takaaki Sonoda; Masaaki Mishima; Takeo Taguchi","Highly Effective Vinylogous Mukaiyama-Michael Reaction Catalyzed by Silyl Methide Species Generated from 1,1,3,3-Tetrakis(trifluoromethanesulfonyl)propane","Journal of Organic Chemistry","2010","75","","1259","1265","10.1021/jo902641g","","","0.71073","MoKα","","0.0306","0.0259","","","0.0625","0.0646","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025255","22.7516","0.0009","22.7516","0.0009","10.9962","0.0006","90","","90","","120","","4929.4","0.4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C29 H37 N3 O11 S -","- C29 H35 N3 O10 S -","- C174 H210 N18 O60 S6 -","6","1","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.7107","MoKα","","0.0692","0.0623","","","0.179","0.1839","","","","","","1.151","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025256","19.573","0.01","8.953","0.004","21.212","0.01","90","","116.452","0.005","90","","3328","3","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22.25 H35.5 Cl2.5 N3 O9.25 S -","- C22.255 H35.51 Cl2.51 N3 O9.25 S -","- C89.02 H142.04 Cl10.04 N12 O37 S4 -","4","2","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.7107","MoKα","","0.0796","0.0686","","","0.1917","0.2051","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025257","5.552","0.0011","11.523","0.002","25.423","0.005","90","","90","","90","","1626.5","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.71073","MoKα","","0.0386","0.0305","","","0.0514","0.0537","","","","","","0.971","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025258","5.7989","0.0005","12.0265","0.001","9.054","0.0008","90","","107.068","0.009","90","","603.62","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O4 -","- C11 H21 N O4 -","- C22 H42 N2 O8 -","2","1","","Wen-Hua Chiou; Gau-Hong Lin; Chih-Wei Liang","Facile Syntheses of Enantiopure 3-Hydroxypiperidine Derivatives and 3-Hydroxypipecolic Acids","Journal of Organic Chemistry","2010","75","","1748","1751","10.1021/jo902324h","","x-ray","0.71073","MoKα","","0.0762","0.0464","","","0.0593","0.063","","","","","","0.933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025259","15.126","0.003","19.255","0.004","20.943","0.005","111.226","0.003","95.283","0.003","101.042","0.003","5493","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H111 Br1.84 Cl8.16 N13 Pd4 Zn -","- C96 H111 Br1.84 Cl8.16 N13 Pd4 Zn -","- C192 H222 Br3.68 Cl16.32 N26 Pd8 Zn2 -","2","1","","Bart M. J. M. Suijkerbuijk; Duncan M. Tooke; Martin Lutz; Anthony L. Spek; Leonardus W. Jenneskens; Gerard van Koten; Robertus J. M. Klein Gebbink","Synthesis of and Evidence for Electronic Communication within Heteromultimetallic Tetrakis(NCN-pincer metal)-(Metallo)porphyrin Hybrids","Journal of Organic Chemistry","2010","75","","1534","1549","10.1021/jo902402g","","","0.71073","MoKα","","0.0619","0.0408","","","0.115","0.123","","","","","","1.141","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025260","35.438","0.001","9.8494","0.001","29.2457","0.001","90","","126.113","0.001","90","","8246.6","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 Br4 N12 Ni -","- C68 H80 Br4 N12 Ni -","- C272 H320 Br16 N48 Ni4 -","4","0.5","","Bart M. J. M. Suijkerbuijk; Duncan M. Tooke; Martin Lutz; Anthony L. Spek; Leonardus W. Jenneskens; Gerard van Koten; Robertus J. M. Klein Gebbink","Synthesis of and Evidence for Electronic Communication within Heteromultimetallic Tetrakis(NCN-pincer metal)-(Metallo)porphyrin Hybrids","Journal of Organic Chemistry","2010","75","","1534","1549","10.1021/jo902402g","","","0.71073","MoKα","","0.1117","0.0647","","","0.1303","0.1463","","","","","","1.07","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025261","3.9416","0.0005","14.6497","0.0018","9.9791","0.0013","90","","97.043","0.002","90","","571.88","0.13","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","2,5-dibromo-3-β-styrylthiophene","","","- C12 H8 Br2 S -","- C12 H8 Br2 S -","- C24 H16 Br4 S2 -","2","1","","Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois","Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers","Journal of Organic Chemistry","2010","75","","1561","1568","10.1021/jo902490m","","","0.71073","MoKα","","0.04","0.038","","","0.0896","0.0903","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025262","7.2777","0.0006","13.5284","0.0012","12.9108","0.0011","90","","94.535","0.001","90","","1267.16","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,5-dibromo-3-β-pentafluorostyrylthiophene","2,5-dibromo-3-β-pentafluorostyrylthiophene","","- C12 H3 Br2 F5 S -","- C12 H3 Br2 F5 S -","- C48 H12 Br8 F20 S4 -","4","1","","Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois","Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers","Journal of Organic Chemistry","2010","75","","1561","1568","10.1021/jo902490m","","","0.71073","MoKα","","0.0403","0.0304","","","0.0664","0.0693","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025263","13.8315","0.001","11.1491","0.0008","17.5648","0.0012","90","","109.276","0.001","90","","2556.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimer of 2","","","- C24 H6 Br4 F10 S2 -","- C24 H6 Br4 F10 S2 -","- C96 H24 Br16 F40 S8 -","4","1","","Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois","Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers","Journal of Organic Chemistry","2010","75","","1561","1568","10.1021/jo902490m","","","0.71073","MoKα","","0.0458","0.031","","","0.0661","0.0711","","","","","","1.013","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025264","9.09","0.001","18.974","0.002","10.269","0.001","90","","104.97","0.01","90","","1711","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 S3 -","- C14 H18 N2 O2 S3 -","- C56 H72 N8 O8 S12 -","4","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0362","","","","0.0919","","","","","","0.862","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025265","3.8595","0.0007","10.702","0.001","12.76","0.002","90","","98.03","0.02","90","","521.88","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H6 N2 S3 -","- C10 H6 N2 S3 -","- C20 H12 N4 S6 -","2","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0332","","","","0.0811","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025266","7.732","0.0004","11.8887","0.0002","12.569","0.0004","90","","90.796","0.004","90","","1155.27","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 N2 S3 -","- C12 H6 N2 S3 -","- C48 H24 N8 S12 -","4","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0561","","","","0.1262","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025267","3.9292","0.0003","9.9711","0.0008","30.306","0.002","90","","90","","90","","1187.34","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 Br N S3 -","- C11 H6 Br N S3 -","- C44 H24 Br4 N4 S12 -","4","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0361","","","","0.0917","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025268","9.189","0.001","22.095","0.002","9.5997","0.0011","90","","116.149","0.001","90","","1749.6","0.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Yang Ye; Linfei Wang; Renhua Fan","Aqueous Iodine(III)-Mediated Stereoselective Oxidative Cyclization for the Synthesis of Functionalized Fused Dihydrofuran Derivatives","Journal of Organic Chemistry","2010","75","","1760","1763","10.1021/jo902553k","","","0.71073","MoKα","","0.037","0.0326","","","0.0812","0.0848","","","","","","1.052","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025269","6.3433","0.0008","12.8094","0.0016","14.2708","0.0018","90","","90","","90","","1159.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C44 H56 N8 O24 -","4","1","","Punit P. Seth; Guillermo Vasquez; Charles A. Allerson; Andres Berdeja; Hans Gaus; Garth A. Kinberger; Thazha P. Prakash; Michael T. Migawa; Balkrishen Bhat; Eric E. Swayze","Synthesis and Biophysical Evaluation of 2',4'-Constrained 2'O-Methoxyethyl and 2',4'-Constrained 2'O-Ethyl Nucleic Acid Analogues","Journal of Organic Chemistry","2010","75","","1569","1581","10.1021/jo902560f","","","0.71073","MoKα","","0.0503","0.0425","","","0.103","0.1078","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025270","10.497","0.002","18.213","0.004","21.191","0.006","90","","107.47","0.03","90","","3864.5","1.7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 Cl6 F12 N2 O10 P2 -","- C70 H72 Cl6 F12 N2 O10 P2 -","- C140 H144 Cl12 F24 N4 O20 P4 -","2","0.5","","Yi Jiang; Jing Cao; Jian-Min Zhao; Jun-Feng Xiang; Chuan-Feng Chen","Synthesis of a Triptycene-Derived Bisparaphenylene-34-crown-10 and Its Complexation with Both Paraquat and Cyclobis(paraquat-p-phenylene)","Journal of Organic Chemistry","2010","75","","1767","1770","10.1021/jo902571n","","","0.71073","MoKα","","0.1457","0.1358","","","0.3211","0.3261","","","","","","1.105","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025271","18.56","0.004","27.852","0.006","19.693","0.004","90","","92.36","0.03","90","","10171","4","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H94 F24 N6 O10 P4 -","- C96 H94 F24 N6 O10 P4 -","- C384 H376 F96 N24 O40 P16 -","4","1","","Yi Jiang; Jing Cao; Jian-Min Zhao; Jun-Feng Xiang; Chuan-Feng Chen","Synthesis of a Triptycene-Derived Bisparaphenylene-34-crown-10 and Its Complexation with Both Paraquat and Cyclobis(paraquat-p-phenylene)","Journal of Organic Chemistry","2010","75","","1767","1770","10.1021/jo902571n","","","0.71073","MoKα","","0.0917","0.0851","","","0.2352","0.2465","","","","","","1.034","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025272","6.6244","0.0005","12.7823","0.0009","23.3387","0.0018","90","","90","","90","","1976.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Violeta Iosub; Anton R. Haberl; Jennifer Leung; Michael Tang; Kannan Vembaiyan; Masood Parvez; Thomas G. Back","Enantioselective Synthesis of α-Quaternary Amino Acid Derivatives by Sequential Enzymatic Desymmetrization and Curtius Rearrangement of α,α-Disubstituted Malonate Diesters","Journal of Organic Chemistry","2010","75","","1612","1619","10.1021/jo902584r","","","1.54178","CuKα","","0.1137","0.077","","","0.2141","0.2543","","","","","","1.024","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025273","11.5059","0.0004","18.5068","0.0006","22.2217","0.0006","90","","90","","90","","4731.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O3 -","- C25 H34 N2 O3 -","- C200 H272 N16 O24 -","8","2","","Violeta Iosub; Anton R. Haberl; Jennifer Leung; Michael Tang; Kannan Vembaiyan; Masood Parvez; Thomas G. Back","Enantioselective Synthesis of α-Quaternary Amino Acid Derivatives by Sequential Enzymatic Desymmetrization and Curtius Rearrangement of α,α-Disubstituted Malonate Diesters","Journal of Organic Chemistry","2010","75","","1612","1619","10.1021/jo902584r","","","1.54178","CuKα","","0.0711","0.0446","","","0.0986","0.1141","","","","","","1.019","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025274","9.2509","0.0001","10.0044","0.0001","11.236","0.0002","76.1128","0.0005","80.0207","0.0005","78.4123","0.0005","980.33","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Rachel Scheffelaar; Monica Paravidino; Anass Znabet; Rob F. Schmitz; Frans J. J. de Kanter; Martin Lutz; Anthony L. Spek; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Marinus B. Groen; Eelco Ruijter; Romano V. A. Orru","Scope and Limitations of an Efficient Four-Component Reaction for Dihydropyridin-2-ones","Journal of Organic Chemistry","2010","75","","1723","1732","10.1021/jo902613j","","","0.71073","MoKα","","0.0593","0.0383","","","0.0918","0.1024","","","","","","1.083","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025275","7.407","0.002","8.4","0.002","13.789","0.004","81.428","0.004","82.824","0.004","86.874","0.004","841.1","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H13 O3 S -","- C23 H13 O3 S -","- C46 H26 O6 S2 -","2","1","","Saurabh Mehta; Richard C. Larock","Iodine/Palladium Approaches to the Synthesis of Polyheterocyclic Compounds","Journal of Organic Chemistry","2010","75","","1652","1658","10.1021/jo902639f","","","0.71073","MoKα","","0.0926","0.0696","","","0.1684","0.1854","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025276","13.378","0.0015","11.9434","0.0014","15.3988","0.0018","90","","91.457","0.002","90","","2459.6","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 O S -","- C36 H23 O S -","- C144 H92 O4 S4 -","4","1","","Saurabh Mehta; Richard C. Larock","Iodine/Palladium Approaches to the Synthesis of Polyheterocyclic Compounds","Journal of Organic Chemistry","2010","75","","1652","1658","10.1021/jo902639f","","","0.71073","MoKα","","0.0649","0.0473","","","0.1228","0.1376","","","","","","1.043","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025277","10.1505","0.0008","12.6042","0.0009","16.4879","0.0012","88.48","0.004","82.802","0.004","69.955","0.004","1965.7","0.3","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H53 N5 O2 -","- C49 H53 N5 O2 -","- C98 H106 N10 O4 -","2","1","","Marcin Ptaszek; Dorothée Lahaye; Michael Krayer; Chinnasamy Muthiah; Jonathan S. Lindsey","De Novo Synthesis of Long-Wavelength Absorbing Chlorin-13,15-dicarboximides","Journal of Organic Chemistry","2010","75","","1659","1673","10.1021/jo902649d","","","0.71073","MoKα","","0.1248","0.0678","","","0.1813","0.2366","","","","","","1.043","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025278","7.8909","0.0002","13.6655","0.0004","14.8001","0.0004","110.83","0.0013","98.1694","0.0013","94.436","0.0013","1462.32","0.07","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32.9754 N5 O2 Pd0.0123 -","- C39 H32.9754 N5 O2 Pd0.0123 -","- C78 H65.9508 N10 O4 Pd0.0246 -","2","1","","Marcin Ptaszek; Dorothée Lahaye; Michael Krayer; Chinnasamy Muthiah; Jonathan S. Lindsey","De Novo Synthesis of Long-Wavelength Absorbing Chlorin-13,15-dicarboximides","Journal of Organic Chemistry","2010","75","","1659","1673","10.1021/jo902649d","","","0.71073","MoKα","","0.0973","0.0612","","","0.1653","0.1863","","","","","","1.061","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025279","11.6918","0.0003","12.5912","0.0006","13.593","0.0003","100.001","0.002","114.651","0.001","99.178","0.002","1729.89","0.11","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 N5 O3 Zn -","- C43 H39 N5 O3 Zn -","- C86 H78 N10 O6 Zn2 -","2","1","","Marcin Ptaszek; Dorothée Lahaye; Michael Krayer; Chinnasamy Muthiah; Jonathan S. Lindsey","De Novo Synthesis of Long-Wavelength Absorbing Chlorin-13,15-dicarboximides","Journal of Organic Chemistry","2010","75","","1659","1673","10.1021/jo902649d","","","0.71073","MoKα","","0.08","0.0472","","","0.1239","0.14","","","","","","1.037","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025280","15.334","0.003","15.813","0.003","16.34","0.003","110.305","0.003","95.406","0.003","105.033","0.003","3513.7","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N8 O12 S4 -","- C72 H81 N8 O12 S4 -","- C144 H162 N16 O24 S8 -","2","1","","Evan R. Trivedi; Sangwan Lee; Hong Zong; Carl M. Blumenfeld; Anthony G. M. Barrett; Brian M. Hoffman","Synthesis of Heteroatom Substituted Naphthoporphyrazine Derivatives with Near-Infrared Absorption and Emission","Journal of Organic Chemistry","2010","75","","1799","1802","10.1021/jo9026947","","","0.71073","MoKα","","0.1585","0.0866","","","0.2163","0.2577","","","","","","0.96","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025281","12.7104","0.0015","13.594","0.002","13.826","0.002","95.815","0.002","110.995","0.003","97.873","0.003","2179.9","0.5","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 Cl4 Ir N O4 P2 -","- C47 H38 Cl2 Ir N O4 P2 -","- C94 H76 Cl4 Ir2 N2 O8 P4 -","2","1","","Benjamin Bechem; Ryan L. Patman; A. Stephen K. Hashmi; Michael J. Krische","Enantioselective Carbonyl Allylation, Crotylation, and tert-Prenylation of Furan Methanols and Furfurals via Iridium-Catalyzed Transfer Hydrogenation","Journal of Organic Chemistry","2010","75","","1795","1798","10.1021/jo902697g","","","0.7107","MoKα","","0.0321","0.0282","","","0.0707","0.0734","","","","","","1.045","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025282","17.273","0.002","11.4009","0.0015","17.635","0.002","90","","110.978","0.003","90","","3242.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N5 Ni O7 -","- C36 H27 N5 Ni O7 -","- C144 H108 N20 Ni4 O28 -","4","1","","Daizong Lin; Guanghui Deng; Jiang Wang; Xiao Ding; Hualiang Jiang; Hong Liu","Efficient Synthesis of Symmetrical α,α-Disubstituted β-Amino Acids and α,α-Disubstituted Aldehydes via Dialkylation of Nucleophilic β-Alanine Equivalent","Journal of Organic Chemistry","2010","75","","1717","1722","10.1021/jo902699t","","","0.71073","MoKα","","0.1136","0.0559","","","0.102","0.1167","","","","","","0.786","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025283","7.8207","0.0006","8.7546","0.0006","31.827","0.003","90","","90","","90","","2179.1","0.3","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C72 H108 N12 O28 S4 -","4","1","","Tetsuya Tanino; Satoshi Ichikawa; Motoo Shiro; Akira Matsuda","Total Synthesis of (-)-Muraymycin D2 and Its Epimer","Journal of Organic Chemistry","2010","75","","1366","1377","10.1021/jo9027193","","","1.54187","CuKα","","","0.089","","","","0.2192","","","","","","1.378","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025284","4.99559","0.00009","13.2866","0.0002","32.0069","0.0007","90","","90","","90","","2124.44","0.07","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O7 S -","- C21 H25 N3 O7 S -","- C84 H100 N12 O28 S4 -","4","1","","Tetsuya Tanino; Satoshi Ichikawa; Motoo Shiro; Akira Matsuda","Total Synthesis of (-)-Muraymycin D2 and Its Epimer","Journal of Organic Chemistry","2010","75","","1366","1377","10.1021/jo9027193","","","1.54187","CuKα","","","0.0578","","","","0.1642","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025285","16.61","0.019","16.61","0.008","37.237","0.011","90","","90","","120","","8897","11","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C185.99 H230.96 N12 O27 -","- C185.988 H230.958 N11.997 O27 -","- C371.976 H461.916 N23.994 O54 -","2","0.111111","","Pascal Dimitrov Raytchev; Olivier Perraud; Christophe Aronica; Alexandre Martinez; Jean-Pierre Dutasta","A New Class of C3-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes","Journal of Organic Chemistry","2010","75","","2099","2102","10.1021/jo100052r","","","0.71073","MoKα","","0.1882","0.139","","0.2369","0.161","0.1706","","","","","","1.1275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025286","10.997","0.005","18.282","0.005","28.996","0.005","90","","95.32","0.005","90","","5804","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H59 Cl2 N4 O12 -","- C58 H59 Cl2 N4 O12 -","- C232 H236 Cl8 N16 O48 -","4","1","","Pascal Dimitrov Raytchev; Olivier Perraud; Christophe Aronica; Alexandre Martinez; Jean-Pierre Dutasta","A New Class of C3-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes","Journal of Organic Chemistry","2010","75","","2099","2102","10.1021/jo100052r","","","0.71069","MoKα","","0.2179","0.1359","","0.2289","0.1439","0.1439","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025287","10.8919","0.0009","12.7666","0.001","17.0269","0.0014","68.336","0.001","73.174","0.001","67.157","0.001","1998.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 B2 F4 N4 S -","- C46 H50 B2 F4 N4 S -","- C92 H100 B4 F8 N8 S2 -","2","1","","Andrew C. Benniston; Graeme Copley; Anthony Harriman; David Howgego; Ross W. Harrington; William Clegg","Cofacial Boron Dipyrromethene (Bodipy) Dimers: Synthesis, Charge Delocalization, and Exciton Coupling","Journal of Organic Chemistry","2010","75","","2018","2027","10.1021/jo1000803","","","0.7749","synchrotron","","0.0782","0.0613","","","0.169","0.182","","","","","","1.046","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025288","11.2976","0.0007","11.6097","0.0006","20.8444","0.0011","97.082","0.004","93.827","0.005","118.721","0.006","2354.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 B2 Cl4 F4 N4 O -","- C48 H54 B2 Cl4 F4 N4 O -","- C96 H108 B4 Cl8 F8 N8 O2 -","2","1","","Andrew C. Benniston; Graeme Copley; Anthony Harriman; David Howgego; Ross W. Harrington; William Clegg","Cofacial Boron Dipyrromethene (Bodipy) Dimers: Synthesis, Charge Delocalization, and Exciton Coupling","Journal of Organic Chemistry","2010","75","","2018","2027","10.1021/jo1000803","","","0.71073","MoKα","","0.1188","0.0439","","","0.0752","0.0851","","","","","","0.821","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025289","19.9729","0.0017","12.0402","0.001","19.9123","0.0017","90","","117.396","0.001","90","","4251.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H56 B2 F4 N4 O -","- C49 H56 B2 F4 N4 O -","- C196 H224 B8 F16 N16 O4 -","4","0.5","","Andrew C. Benniston; Graeme Copley; Anthony Harriman; David Howgego; Ross W. Harrington; William Clegg","Cofacial Boron Dipyrromethene (Bodipy) Dimers: Synthesis, Charge Delocalization, and Exciton Coupling","Journal of Organic Chemistry","2010","75","","2018","2027","10.1021/jo1000803","","","0.7749","synchrotron","","0.0678","0.0442","","","0.113","0.1271","","","","","","1.018","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025290","8.3863","0.0005","13.1607","0.0008","14.4654","0.0009","90","","90","","90","","1596.54","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Br2 O2 -","- C18 H12 Br2 O2 -","- C72 H48 Br8 O8 -","4","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0433","0.0351","","","0.0891","0.0938","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025291","8.6427","0.0009","8.8279","0.0009","10.4921","0.001","82.672","0.002","88.813","0.002","82.695","0.002","787.52","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br2 O2 -","- C18 H12 Br2 O2 -","- C36 H24 Br4 O4 -","2","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0647","0.0531","","","0.1482","0.1545","","","","","","1","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025292","10.4907","0.0009","16.4745","0.0014","9.5305","0.0008","90","","92.99","0.002","90","","1644.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O4 -","- C22 H14 O4 -","- C88 H56 O16 -","4","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0584","0.0503","","","0.1372","0.1477","","","","","","1.022","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025293","8.2648","0.0009","9.2931","0.001","14.3522","0.0015","75.654","0.002","80.148","0.002","67.897","0.002","985.74","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C52 H36 O8 -","2","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0585","0.0513","","","0.1431","0.1521","","","","","","1.052","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025294","12.3579","0.0009","13.0133","0.0011","13.2737","0.0011","90","","91.372","0.001","90","","2134","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Br2 O2 -","- C26 H16 Br2 O2 -","- C104 H64 Br8 O8 -","4","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0872","0.054","","","0.1383","0.1586","","","","","","1.022","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025295","11.6684","0.0005","7.4095","0.0003","11.9159","0.0005","90","","94.888","0.002","90","","1026.47","0.07","100","2","100","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","John T. Markiewicz; Douglas J. Schauer; Joakim Löfstedt; Steven J. Corden; Olaf Wiest; Paul Helquist","Synthesis of 4-Methyldienoates Using a Vinylogous Horner-Wadsworth-Emmons Reagent. Application to the Synthesis of Trichostatic Acid","Journal of Organic Chemistry","2010","75","","2061","2064","10.1021/jo902422y","","x-ray","1.54178","CuKα","","0.0245","0.0244","","","0.0662","0.0663","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025296","10.676","0.001","7.2285","0.0007","20.9474","0.0019","90","","94.57","0.003","90","","1611.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N4 O4 -","- C17 H13 Cl N4 O4 -","- C68 H52 Cl4 N16 O16 -","4","1","","Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami","One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties","Journal of Organic Chemistry","2010","75","","2065","2068","10.1021/jo902432w","","","0.71073","MoKα","","0.0574","0.0369","","","0.0812","0.0927","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025297","6.8173","0.0012","6.7934","0.0012","27.684","0.005","90","","93.392","0.005","90","","1279.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","","Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami","One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties","Journal of Organic Chemistry","2010","75","","2065","2068","10.1021/jo902432w","","","0.71073","MoKα","","0.1024","0.0569","","","0.16","0.2137","","","","","","0.79","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025298","6.882","0.004","7.4","0.004","14.123","0.008","98.66","0.017","93.716","0.016","93.664","0.016","707.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami","One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties","Journal of Organic Chemistry","2010","75","","2065","2068","10.1021/jo902432w","","","0.71073","MoKα","","0.1633","0.1183","","","0.397","0.4058","","","","","","2.377","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025299","15.507","0.001","7.4079","0.0005","16.512","0.001","90","","116.728","0.002","90","","1694.13","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-cyano-3a-tert-butyl-2-methoxy-3aH-furo[2,3-b] indole-8(8aH)-carboxylate.","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","0.71073","MoKα","","0.0825","0.043","","","0.0978","0.1109","","","","","","0.887","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025300","9.5591","0.0004","19.9752","0.0007","10.3978","0.0004","90","","111.248","0.001","90","","1850.44","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1a-Benzyl-1-cyano-1a,6a-dihydro-1H-6-aza-cyclopropa [alpha]indene-1,6-dicarboxylic acid dimethyl ester.","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","0.71073","MoKα","","0.0748","0.0428","","","0.1082","0.1196","","","","","","0.931","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025301","12.598","0.003","10.033","0.001","14.267","0.002","90","","113.13","0.02","90","","1658.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-isopropyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0421","0.0374","","","0.0974","0.0994","","","","","","1.043","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025302","12.831","0.002","10.528","0.002","14.23","0.002","90","","115.7","0.01","90","","1732.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-tert-butyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0433","0.0403","","","0.1112","0.1129","","","","","","1.107","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025303","9.8414","0.0018","12.934","0.002","13.726","0.003","83.15","0.005","69.107","0.004","69.459","0.003","1528.5","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 I -","- C18 H17 I -","- C72 H68 I4 -","4","2","","Frances A. Murphy; Sylvia M. Draper","Superaromatic Terpyridines: Hexa-peri-hexabenzocoronenes with Tridentate Functionality","Journal of Organic Chemistry","2010","75","","1862","1870","10.1021/jo902526u","","","0.71073","MoKα","","0.0519","0.0391","","","0.096","0.1026","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025304","30.2468","0.0019","18.3785","0.0011","17.2888","0.0011","90","","96.041","0.001","90","","9557.3","1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C H I -","- C2.72527 H2.50549 I0.043956 -","- C496 H456 I8 -","182","22.75","","Frances A. Murphy; Sylvia M. Draper","Superaromatic Terpyridines: Hexa-peri-hexabenzocoronenes with Tridentate Functionality","Journal of Organic Chemistry","2010","75","","1862","1870","10.1021/jo902526u","","","0.71073","MoKα","","0.1027","0.0749","","","0.198","0.2202","","","","","","1.044","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025305","26.0068","0.0013","9.6177","0.0005","19.2164","0.001","90","","122.693","0.003","90","","4045.1","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C184 H224 O40 -","8","1","","Etienne Nadeau; Dominic L. Ventura; Jonathan A. Brekan; Huw M. L. Davies","Controlling Factors for C-H Functionalization versus Cyclopropanation of Dihydronaphthalenes","Journal of Organic Chemistry","2010","75","","1927","1939","10.1021/jo902644f","","","1.54178","CuKα","","0.1037","0.0573","","","0.1887","0.2632","","","","","","1.016","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025306","11.3659","0.0005","8.253","0.0004","24.6381","0.001","90","","96.389","0.003","90","","2296.77","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 O3 Si -","- C23 H34 O3 Si -","- C92 H136 O12 Si4 -","4","2","","Etienne Nadeau; Dominic L. Ventura; Jonathan A. Brekan; Huw M. L. Davies","Controlling Factors for C-H Functionalization versus Cyclopropanation of Dihydronaphthalenes","Journal of Organic Chemistry","2010","75","","1927","1939","10.1021/jo902644f","","","1.54178","CuKα","","0.0667","0.0514","","","0.1283","0.1458","","","","","","1.109","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025307","10.508","0.0004","10.2087","0.0004","16.4276","0.0007","90","","103.5","0.001","90","","1713.55","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Thioniatelluroniabicyclo[3.3.0]octane bis(trifluoromethanesulfonate)","","- C8 H12 F6 O6 S3 Te -","- C8 H12 F6 O6 S3 Te -","- C32 H48 F24 O24 S12 Te4 -","4","1","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0385","0.0326","","","0.0836","0.0882","","","","","","1.044","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025308","12.5471","0.0007","12.9889","0.0007","14.0208","0.0007","104.893","0.001","93.183","0.001","93.943","0.001","2196.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","1,1'-Bis-5-thio-1-selenocanium Bis(B-hydroxy-tris[pentafluorophenyl)boron","","- C84 H30 B4 F60 O4 S2 Se2 -","- C84 H30 B4 F60 O4 S2 Se2 -","- C84 H30 B4 F60 O4 S2 Se2 -","1","0.5","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0621","0.0458","","","0.1175","0.1271","","","","","","1.044","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025309","12.5426","0.0006","20.8109","0.0009","9.6271","0.0004","90","","95.71","0.001","90","","2500.42","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-Thiatellurocane 5-Oxytris(pentafluorophenyl)boron","","- C24 H12 B F15 O S Te -","- C24 H12 B F15 O S Te -","- C96 H48 B4 F60 O4 S4 Te4 -","4","1","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0563","0.0379","","","0.0842","0.092","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025310","9.5331","0.0008","9.0124","0.0008","13.0975","0.0011","90","","109.492","0.001","90","","1060.79","0.16","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","5,5'-Oxy-bis(5-thiatellurocane) Bis(tetrafluoroborate","","- C12 H24 B2 F8 O S2 Te2 -","- C12 H24 B2 F8 O S2 Te2 -","- C24 H48 B4 F16 O2 S4 Te4 -","2","1","","Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass","Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species","Journal of Organic Chemistry","2010","75","","1997","2009","10.1021/jo9026484","","","0.71073","MoKα","","0.0453","0.0338","","","0.0793","0.0849","","","","","","1.032","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025311","9.1456","0.0003","23.7838","0.0008","18.5154","0.0006","90","","97.523","0.002","90","","3992.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H46 Cl2 N6 O7 -","- C41.985 H46 Cl2 N5.9975 O6.9975 -","- C167.94 H184 Cl8 N23.99 O27.99 -","4","2","","Xiaohu Deng; Jimmy T. Liang; Matthew Peterson; Raymond Rynberg; Eugene Cheung; Neelakandha S. Mani","Practical Synthesis of a Cathepsin S Inhibitor: Route Identification, Purification Strategies, and Serendipitous Discovery of a Crystalline Salt Form","Journal of Organic Chemistry","2010","75","","1940","1947","10.1021/jo902650b","","","0.71073","MoKα","","0.0883","0.0495","","","0.1027","0.1189","","","","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025312","9.4417","0.0007","11.5112","0.0009","25.0215","0.0018","90","","95.222","0.001","90","","2708.2","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3aS,4R,7aS)-4-(4-chlorobenzyl)-octahydro-1,5-ditosyl-1H-pyrrolo[3,2-c]Pyridine","","- C28 H31 Cl N2 O4 S2 -","- C28 H31 Cl N2 O4 S2 -","- C112 H124 Cl4 N8 O16 S8 -","4","1","","Jillu S. Yadav; Prashant Borkar; P. Pawan Chakravarthy; Basi V. Subba Reddy; Akella V. S. Sarma; Shaik Jeelani Basha; Balasubramanian Sridhar; René Grée","Versatile Intramolecular Aza-Prins and Prins Cyclization of Aryl Epoxides: A Facile Synthesis of Diaza-, Oxa-aza-, and Dioxa-bicycles","Journal of Organic Chemistry","2010","75","","2081","2084","10.1021/jo902683p","","","0.71073","MoKα","","0.0775","0.0639","","","0.1367","0.1438","","","","","","1.179","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025313","12.9105","0.0013","8.1976","0.0008","18.659","0.0019","90","","94.547","0.002","90","","1968.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aR,4S,7aS)-4-benzyl-octahydro-1-tosylpyrano[4,3-b]pyrrole","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C84 H100 N4 O12 S4 -","4","1","","Jillu S. Yadav; Prashant Borkar; P. Pawan Chakravarthy; Basi V. Subba Reddy; Akella V. S. Sarma; Shaik Jeelani Basha; Balasubramanian Sridhar; René Grée","Versatile Intramolecular Aza-Prins and Prins Cyclization of Aryl Epoxides: A Facile Synthesis of Diaza-, Oxa-aza-, and Dioxa-bicycles","Journal of Organic Chemistry","2010","75","","2081","2084","10.1021/jo902683p","","","0.71073","MoKα","","0.0693","0.0567","","","0.1286","0.136","","","","","","1.116","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025314","9.6625","0.0009","12.8591","0.0012","19.5254","0.0019","90","","90","","90","","2426.1","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,7aS)-4-benzhydryl-octahydro-1-tosylpyrano[4,3-b]pyrrole","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C108 H116 N4 O12 S4 -","4","1","","Jillu S. Yadav; Prashant Borkar; P. Pawan Chakravarthy; Basi V. Subba Reddy; Akella V. S. Sarma; Shaik Jeelani Basha; Balasubramanian Sridhar; René Grée","Versatile Intramolecular Aza-Prins and Prins Cyclization of Aryl Epoxides: A Facile Synthesis of Diaza-, Oxa-aza-, and Dioxa-bicycles","Journal of Organic Chemistry","2010","75","","2081","2084","10.1021/jo902683p","","","0.71073","MoKα","","0.0327","0.031","","","0.079","0.0803","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025315","9.61","0.0019","11.493","0.002","12.112","0.002","90","","90","","90","","1337.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Br2 Cl N2 O3 -","- C10 H9 Br2 Cl N2 O3 -","- C40 H36 Br8 Cl4 N8 O12 -","4","1","","Zhan-Guo Chen; Yun Wang; Jun-Fa Wei; Peng-Fei Zhao; Xian-Ying Shi","K3PO4-Catalyzed Regiospecific Aminobromination of β-Nitrostyrene Derivatives with N-Bromoacetamide as Aminobrominating Agent","Journal of Organic Chemistry","2010","75","","2085","2088","10.1021/jo9026879","","","0.71073","MoKα","","0.0623","0.0476","","","0.1069","0.1146","","","","","","1.004","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025316","8.77","0.006","10.038","0.004","10.81","0.005","107.39","0.04","102.58","0.07","108.01","0.04","811.6","0.9","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C40 H36 N8 -","2","1","","Julien Debray; Jean-Marc Lévêque; Christian Philouze; Micheline Draye; Martine Demeunynck","Swift and Efficient Synthesis of 4-Phenylquinazolines: Involvement of N-Heterocyclic Carbene in the Key Cyclization Step","Journal of Organic Chemistry","2010","75","","2092","2095","10.1021/jo902726k","","","1.54178","CuKα","","0.0649","0.0649","","0.0775","","0.0775","","","1.988","","","1.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025317","23.1476","0.0016","11.033","0.0008","16.6135","0.0011","90","","132.345","0.001","90","","3135.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Malleswara Rao Kuram; M. Bhanuchandra; Akhila K. Sahoo","Gold-Catalyzed Intermolecular Hydrophenoxylation of Unactivated Internal Alkynes","Journal of Organic Chemistry","2010","75","","2247","2258","10.1021/jo1000143","","","0.71073","MoKα","","0.0829","0.0798","","","0.1912","0.1932","","","","","","1.087","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025318","7.7422","0.0008","14.6183","0.0015","10.9539","0.0011","90","","94.865","0.002","90","","1235.3","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C68 H52 O4 -","2","0.5","","Malleswara Rao Kuram; M. Bhanuchandra; Akhila K. Sahoo","Gold-Catalyzed Intermolecular Hydrophenoxylation of Unactivated Internal Alkynes","Journal of Organic Chemistry","2010","75","","2247","2258","10.1021/jo1000143","","","0.71073","MoKα","","0.05","0.0366","","","0.087","0.094","","","","","","1.036","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025319","6.7521","0.0005","12.0682","0.0009","15.8151","0.0012","109.098","0.001","93.688","0.001","98.311","0.001","1196.37","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N6 O8 S2 -","- C21 H24 N6 O8 S2 -","- C42 H48 N12 O16 S4 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0355","0.0343","","","0.084","0.0848","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025320","11.4049","0.0018","11.4366","0.0018","12.666","0.002","82.769","0.003","79.205","0.003","68.923","0.002","1511.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 F6 N5 O8 S2 -","- C29 H23 F6 N5 O8 S2 -","- C58 H46 F12 N10 O16 S4 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0817","0.062","","","0.13","0.1385","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025321","21.817","0.003","12.9748","0.0019","6.8192","0.001","90","","102.865","0.002","90","","1881.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl2 N5 O2 -","- C19 H19 Cl2 N5 O2 -","- C76 H76 Cl8 N20 O8 -","4","0.5","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0596","0.0555","","","0.124","0.1262","","","","","","1.151","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025322","28.202","0.004","8.1643","0.0012","22.883","0.003","90","","106.889","0.002","90","","5041.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 N5 O8 S2 -","- C21 H19 F6 N5 O8 S2 -","- C168 H152 F48 N40 O64 S16 -","8","2","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0628","0.055","","","0.1167","0.1225","","","","","","1.166","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025323","24.893","0.004","14.421","0.002","22.112","0.004","90","","117.025","0.003","90","","7071","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H57 Cl2 F12 N15 O18 S4 -","- C61 H57 Cl2 F12 N15 O18 S4 -","- C244 H228 Cl8 F48 N60 O72 S16 -","4","0.5","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0854","0.0583","","","0.1176","0.1284","","","","","","1.06","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025324","9.1575","0.0011","11.8255","0.0014","12.5133","0.0015","72.991","0.002","81.722","0.002","87.471","0.002","1282.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 F6 N5 O8 S2 -","- C21 H19 F6 N5 O8 S2 -","- C42 H38 F12 N10 O16 S4 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0441","0.0406","","","0.0982","0.1007","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025325","7.4711","0.0008","11.0507","0.0012","14.3526","0.0015","104.137","0.002","98.819","0.002","94.323","0.002","1127.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 Br2 N5 O5 -","- C19 H25 Br2 N5 O5 -","- C38 H50 Br4 N10 O10 -","2","1","","Alejandro Dorazco-González; Herbert Höpfl; Felipe Medrano; Anatoly K. Yatsimirsky","Recognition of Anions and Neutral Guests by Dicationic Pyridine-2,6-dicarboxamide Receptors","Journal of Organic Chemistry","2010","75","","2259","2273","10.1021/jo100037m","","","0.71073","MoKα","","0.0391","0.0361","","","0.0908","0.0957","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025326","24.66","0.007","5.928","0.004","23.352","0.007","90","","107.314","0.004","90","","3259","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N -","- C24 H17 N -","- C192 H136 N8 -","8","1","","Donald C. Rogness; Richard C. Larock","Synthesis of Acridines by the [4 + 2] Annulation of Arynes and 2-Aminoaryl Ketones","Journal of Organic Chemistry","2010","75","","2289","2295","10.1021/jo1000687","","","0.71073","MoKα","","0.0742","0.0449","","","0.1116","0.1366","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025327","9.2","0.0013","10.9423","0.0015","14.273","0.002","74.723","0.002","83.403","0.002","88.871","0.003","1376.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O6 S -","- C31 H30 N2 O6 S -","- C62 H60 N4 O12 S2 -","2","1","","Lei Wu; Min Shi","1,3-Dipolar Cycloaddition Reactions of Vinylidenecyclopropane-Diesters with Aromatic Diazomethanes Generated in Situ","Journal of Organic Chemistry","2010","75","","2296","2301","10.1021/jo100105k","","","0.71073","MoKα","","0.0962","0.0683","","","0.1912","0.2088","","","","","","0.995","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025328","14.3283","0.0018","14.767","0.0019","16.951","0.002","83.159","0.003","68.258","0.003","74.333","0.003","3206.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 Cl N2 O6 S -","- C35 H29 Cl N2 O6 S -","- C140 H116 Cl4 N8 O24 S4 -","4","2","","Lei Wu; Min Shi","1,3-Dipolar Cycloaddition Reactions of Vinylidenecyclopropane-Diesters with Aromatic Diazomethanes Generated in Situ","Journal of Organic Chemistry","2010","75","","2296","2301","10.1021/jo100105k","","","0.71073","MoKα","","0.1893","0.066","","","0.1459","0.2026","","","","","","0.823","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025329","17.463","0.003","18.85","0.004","3.9169","0.001","90","","90","","90","","1289.4","0.5","150","","150","","","","","","","","","3","P n n 2","P 2 -2n","34","","13-methylpurino[8,9-f]phenanthridine","","- C18 H12 N4 -","- C18 H12 N4 -","- C72 H48 N16 -","4","1","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.54184","CuKα","","0.08","0.0529","","0.0818","0.066","0.0685","","","","","","1.0897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025330","15.3485","0.0011","9.7269","0.0004","18.4269","0.0013","90","","119.133","0.009","90","","2403","0.3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(6-methyl-9-phenyl-9H-purin-8-yl)benzene","","- C30 H22 N8 -","- C30 H22 N8 -","- C120 H88 N32 -","4","0.5","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.54184","CuKα","","0.0587","0.0482","","0.0642","0.0558","0.0558","","","","","","1.0986","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025331","7.3513","0.0006","10.8273","0.001","13.934","0.001","103.269","0.007","93.029","0.006","91.387","0.007","1077.2","0.16","150","","150","","","","","","","","","3","P -1","-P 1","2","","11-amino-5,6-dihydropurino[8,9-a]isoquinoline","","- C13 H11 N5 -","- C13 H11 N5 -","- C52 H44 N20 -","4","2","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.54184","CuKα","","0.0682","0.0497","","0.0743","0.0562","0.0562","","","","","","1.0786","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025332","10.2023","0.0013","11.7179","0.0015","11.9757","0.0016","84.147","0.011","65.064","0.013","82.177","0.011","1284.6","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","5,6-dihydro-11-methylpurino[8,9-a]isoquinoline","","- C14 H15 N4 O1.5 -","- C14 H15 N4 O1.5 -","- C56 H60 N16 O6 -","4","2","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines","Journal of Organic Chemistry","2010","75","7","2302","2308","10.1021/jo100111t","","x-ray","1.5418","CuKα","","0.0699","0.0511","","0.0817","0.063","0.063","","","","","","0.9396","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025333","10.3542","0.0006","10.0173","0.0005","17.2627","0.0009","90","","93.511","0.003","90","","1787.15","0.17","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O S -","- C18 H21 Cl N2 O S -","- C72 H84 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1287","0.0763","","","0.1795","0.2158","","","","","","1.178","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025334","17.0011","0.0007","5.8887","0.0002","20.1269","0.0009","90","","93.1231","0.0018","90","","2012","0.14","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O S -","- C22 H23 Cl N2 O S -","- C88 H92 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1377","0.0745","","","0.1339","0.1625","","","","","","1.014","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025335","12.151","0.0004","9.6705","0.0004","18.2329","0.0008","90","","103.897","0.002","90","","2079.77","0.14","193","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O S -","- C22 H23 Cl N2 O S -","- C88 H92 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1","0.068","","0.236","0.205","0.205","","","1.725","1.797","1.797","1.772","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025336","9.1213","0.0002","9.578","0.0002","20.1152","0.0006","90","","90","","90","","1757.34","0.07","173","","173","2","","","","","","","Local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl N2 O S -","- C17 H19 Cl N2 O S -","- C68 H76 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0912","0.0566","","","0.1507","0.1896","","","","","","1.086","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025337","10.7047","0.0003","10.7252","0.0002","14.7684","0.0005","90","","90","","90","","1695.56","0.08","188","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0697","0.0492","","","0.1258","0.1482","","","","","","1.177","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4025338","12.7478","0.0003","12.7478","0.0003","10.8174","0.0003","90","","90","","90","","1757.9","0.08","193","2","193","2","","","","","","","","6","P 43","P 4cw","78","","","","- C17 H20 Br N O2 S -","- C17 H20 Br N O2 S -","- C68 H80 Br4 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0723","0.0508","","","0.1208","0.1361","","","","","","0.998","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025339","7.3755","0.0002","9.4464","0.0002","26.3763","0.0008","90","","90","","90","","1837.69","0.08","258","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O S -","- C19 H24 N2 O S -","- C76 H96 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0841","0.0543","","","0.1436","0.1794","","","","","","1.148","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025340","7.6984","0.0003","13.8253","0.0006","9.5434","0.0003","90","","112.762","0.003","90","","936.62","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl N2 O S -","- C18 H23 Cl N2 O S -","- C36 H46 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0575","0.0469","","","0.1259","0.1339","","","","","","1.154","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025341","5.8283","0.0003","15.6113","0.0009","11.4393","0.0008","90","","98.277","0.003","90","","1029.99","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 O S -","- C22 H25 Cl N2 O S -","- C44 H50 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1338","0.0672","","","0.1528","0.1954","","","","","","1.062","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025342","8.7649","0.0002","13.6787","0.0004","9.6973","0.0003","90","","113.149","0.0012","90","","1069.02","0.05","173","","173","2","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 O S -","- C22 H25 Cl N2 O S -","- C44 H50 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0405","0.0357","","","0.092","0.0961","","","","","","0.978","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025343","9.5514","0.0003","11.4813","0.0003","16.0868","0.0006","90","","90","","90","","1764.12","0.1","223","","223","2","","","","","","","Local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl N2 O S -","- C17 H21 Cl N2 O S -","- C68 H84 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.126","0.058","","0.369","0.137","0.137","","","2.035","1.785","1.785","1.782","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4025344","9.6281","0.0003","10.0335","0.0003","20.0405","0.0007","90","","90","","90","","1935.98","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl N2 O S -","- C19 H25 Cl N2 O S -","- C76 H100 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0713","0.0509","","","0.1346","0.1657","","","","","","1.186","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025345","9.5631","0.0003","9.6026","0.0003","18.5489","0.0007","90","","90","","90","","1703.36","0.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0832","0.0522","","","0.123","0.1418","","","","","","0.947","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025346","9.3092","0.0008","12.0749","0.0011","14.8431","0.0014","90","","90","","90","","1668.5","0.3","158","2","158","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O S -","- C17 H20 Br N O S -","- C68 H80 Br4 N4 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0247","0.0209","","","0.0505","0.0519","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025347","9.3004","0.0004","13.5899","0.0006","14.7561","0.0007","90","","90","","90","","1865.05","0.15","173","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O S -","- C20 H27 N O S -","- C80 H108 N4 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1316","0.0684","","","0.1653","0.2138","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4025348","10.2162","0.0012","15.3633","0.0017","17.547","0.002","90","","97.588","0.005","90","","2730","0.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br Cl N3 O2 S -","- C31 H23 Br Cl N3 O2 S -","- C124 H92 Br4 Cl4 N12 O8 S4 -","4","1","","Ying Cheng; Jiang-Hua Peng; Jia-Qi Li","Orthogonal Synthesis of Densely Functionalized Pyrroles and Thiophenes from the Reactions of Imidazo[1,5-a]pyridine Carbene-Derived Zwitterions with Electron-Deficient Alkynes","Journal of Organic Chemistry","2010","75","","2382","2388","10.1021/jo100225r","","","0.7107","MoKα","","0.0563","0.0423","","","0.0979","0.1163","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025349","12.869","0.003","12.864","0.003","19.102","0.004","90","","95.39","0.03","90","","3148.3","1.2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl3 N3 O4 S -","- C33 H26 Cl3 N3 O4 S -","- C132 H104 Cl12 N12 O16 S4 -","4","1","","Ying Cheng; Jiang-Hua Peng; Jia-Qi Li","Orthogonal Synthesis of Densely Functionalized Pyrroles and Thiophenes from the Reactions of Imidazo[1,5-a]pyridine Carbene-Derived Zwitterions with Electron-Deficient Alkynes","Journal of Organic Chemistry","2010","75","","2382","2388","10.1021/jo100225r","","","0.71073","MoKα","","0.0723","0.069","","","0.1538","0.1562","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025350","5.6584","0.0001","10.1501","0.0002","15.8737","0.0004","90","","94.9963","0.0009","90","","908.22","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C36 H44 N4 O12 -","2","1","","David M. Hodgson; Saifullah Salik; David J. Fox","Stereocontrolled Syntheses of (-)-Cubebol and (-)-10-Epicubebol Involving Intramolecular Cyclopropanation of α-Lithiated Epoxides","Journal of Organic Chemistry","2010","75","","2157","2168","10.1021/jo9022974","","","0.71073","MoKα","","0.0455","0.0329","","0.0829","0.069","0.0829","","","","","","0.9301","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025351","9.8823","0.0002","9.5332","0.0002","30.4082","0.0008","90","","91.1046","0.001","90","","2864.22","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O -","- C15 H26 O -","- C120 H208 O8 -","8","4","","David M. Hodgson; Saifullah Salik; David J. Fox","Stereocontrolled Syntheses of (-)-Cubebol and (-)-10-Epicubebol Involving Intramolecular Cyclopropanation of α-Lithiated Epoxides","Journal of Organic Chemistry","2010","75","","2157","2168","10.1021/jo9022974","","","0.71073","MoKα","","0.0814","0.0638","","0.1513","0.1408","0.1513","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025352","11.3035","0.0005","5.8935","0.0004","12.286","0.0008","90","","112.657","0.003","90","","755.3","0.08","150","0.02","150","0.02","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 Br N O S -","- C14 H20 Br N O S -","- C28 H40 Br2 N2 O2 S2 -","2","1","","Leleti Rajender Reddy; Sonia G. Das; Yugang Liu; Mahavir Prashad","A Facile Asymmetric Synthesis of Either Enantiomer of 2-Substituted Pyrrolidines","Journal of Organic Chemistry","2010","75","","2236","2246","10.1021/jo902710s","","","1.54184","CU-Kα","","0.024","0.023","","","0.059","0.059","","","","","","1.043","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4025353","9.822","0.003","8.97","0.004","17.061","0.005","90","","94.74","0.02","90","","1498","0.9","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H38 O3 Si -","- C35 H38 O3 Si -","- C70 H76 O6 Si2 -","2","1","","Marko Weimar; Gerd Dürner; Jan W. Bats; Michael W. Göbel","Enantioselective Synthesis of (+)-Estrone Exploiting a Hydrogen Bond-Promoted Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","2718","2721","10.1021/jo100053j","","","0.71073","MoKα","","0.095","0.052","","","0.1011","0.1122","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025354","12.3468","0.0014","12.8449","0.0012","16.152","0.002","90","","90","","90","","2561.6","0.5","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C124 H104 N8 O20 -","4","1","","Marko Weimar; Gerd Dürner; Jan W. Bats; Michael W. Göbel","Enantioselective Synthesis of (+)-Estrone Exploiting a Hydrogen Bond-Promoted Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","2718","2721","10.1021/jo100053j","","","0.71073","MoKα","","0.0474","0.0394","","","0.0965","0.1018","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025355","11.6341","0.0009","12.2951","0.0009","12.4405","0.0009","70.166","0.001","78.517","0.001","62.393","0.001","1481.5","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","compound 1","N1,N8-bis(diphenylmethylene)anthraquinone-1,8-diamine","","- C40 H26 N2 O2 -","- C40 H26 N2 O2 -","- C80 H52 N4 O4 -","2","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0781","0.0427","","","0.0932","0.1111","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025356","9.2785","0.0007","17.3657","0.0013","18.0417","0.0013","90","","96.367","0.001","90","","2889.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","compound 2","N1,N8-bis(diphenylmethylene)anthracene-1,8-diamine","","- C40 H28 N2 -","- C40 H28 N2 -","- C160 H112 N8 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0596","0.0428","","","0.1072","0.1192","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025357","13.4862","0.001","12.4518","0.001","17.2162","0.0013","90","","106.421","0.001","90","","2773.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 3","N1,N8-bis(diphenylmethylene)biphenylene-1,8-diamine","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0633","0.0414","","","0.1044","0.125","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025358","12.258","0.003","20.15","0.004","11.618","0.002","90","","101.276","0.003","90","","2814.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 4","N1,N8-bis(diphenylmethylene)naphthalene-1,8-diamine","","- C37 H27.5 N2.25 -","- C37 H27.5 N2.25 -","- C148 H110 N9 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure and Stereodynamics of Aryldiimino Derivatives","Journal of Organic Chemistry","2010","75","","2572","2577","10.1021/jo100106t","","","0.71073","MoKα","","0.0569","0.0464","","","0.1412","0.1488","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025359","9.8004","0.0004","19.887","0.0009","10.0615","0.0004","90","","113.911","0.001","90","","1792.69","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Xiaobing Zhang; Zhan Lu; Chunling Fu; Shengming Ma","Synthesis of Polysubstituted Furans Based on a Stepwise Sonogashira Coupling of (Z)-3-Iodoalk-2-en-1-ols with Terminal Propargylic Alcohols and Subsequent Au(I)- or Pd(II)-Catalyzed Cyclization-Aromatization via Elimination of H2O","Journal of Organic Chemistry","2010","75","","2589","2598","10.1021/jo100146p","","","0.71073","MoKα","","0.0502","0.0436","","","0.1154","0.1241","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025360","11.27","0.004","9.666","0.006","15.38","0.007","90","","106.96","0.03","90","","1602.6","1.4","191","2","191","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O -","- C8 H15 N O -","- C64 H120 N8 O8 -","8","2","","Dana K. Winter; Alexandre Drouin; Jean Lessard; Claude Spino","Photochemical Rearrangement of N-Chlorolactams: A Route to N-Heterocycles through Concerted Ring Contraction","Journal of Organic Chemistry","2010","75","","2610","2618","10.1021/jo100181h","","","1.54176","CuKα","","0.1226","0.0865","","","0.2354","0.2674","","","","","","0.953","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025361","7.095","0.009","8.508","0.011","9.717","0.013","89.029","0.015","75.838","0.017","85.883","0.017","567.3","1.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Yusuke Kobayashi; Kosuke Katagiri; Isao Azumaya; Takashi Harayama","Trifluoroacetylation-Induced Houben-Hoesch-Type Cyclization of Cyanoacetanilides: Increased Nucleophilicity of CN Groups","Journal of Organic Chemistry","2010","75","","2741","2744","10.1021/jo100220m","","","0.71073","MoKα","","0.071","0.0642","","","0.2146","0.2193","","","","","","1.179","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025362","10.271","0.009","14.061","0.013","20.007","0.018","90","","90","","90","","2889","5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 F14 N4 O4 -","- C28 H18 F14 N4 O4 -","- C112 H72 F56 N16 O16 -","4","1","","Yusuke Kobayashi; Kosuke Katagiri; Isao Azumaya; Takashi Harayama","Trifluoroacetylation-Induced Houben-Hoesch-Type Cyclization of Cyanoacetanilides: Increased Nucleophilicity of CN Groups","Journal of Organic Chemistry","2010","75","","2741","2744","10.1021/jo100220m","","","0.71073","MoKα","","0.032","0.0284","","","0.0712","0.0736","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025363","11.209","0.0005","12.4178","0.0006","31.5636","0.0015","90","","90","","90","","4393.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 Cl2 O2 P Pd S -","- C50 H49 Cl2 O2 P Pd S -","- C200 H196 Cl8 O8 P4 Pd4 S4 -","4","1","","Xisco Caldentey; Miquel A. Pericàs","Phosphinite Thioethers Derived from Chiral Epoxides. Modular P,S-Ligands for Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2010","75","","2628","2644","10.1021/jo100223w","","","0.71073","MoKα","","0.0223","0.0215","","","0.0547","0.055","","","","","","1.105","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4025364","10.6012","0.0005","12.3725","0.0005","12.9208","0.0006","67.756","0.001","65.93","0.001","65.849","0.001","1365.6","0.11","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H31 Cl2 O2 P Pd S -","- C26 H31 Cl2 O2 P Pd S -","- C52 H62 Cl4 O4 P2 Pd2 S2 -","2","2","","Xisco Caldentey; Miquel A. Pericàs","Phosphinite Thioethers Derived from Chiral Epoxides. Modular P,S-Ligands for Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2010","75","","2628","2644","10.1021/jo100223w","","","0.71073","MoKα","","0.0243","0.023","","","0.0554","0.0561","","","","","","1.015","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4025365","6.363","0.003","9.031","0.004","13.892","0.006","90","","94.436","0.007","90","","795.9","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl(1S, 2S, 3R)-1-(furan-2-yl)-3-hydroxy-2-methylbutylcarbamate","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C28 H46 N2 O8 -","2","1","","Gullapalli Kumaraswamy; Neerasa Jayaprakash; Balasubramanian Sridhar","An Organocatalyzed Enantioselective Synthesis of (2S,3R,4S)-4-Hydroxyisoleucine and Its Stereoisomers","Journal of Organic Chemistry","2010","75","","2745","2747","10.1021/jo100233u","","x-ray","0.71073","MoKα","","0.0657","0.0475","","","0.099","0.1056","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025366","9.8227","0.0008","10.5273","0.0009","15.717","0.0013","90","","97.649","0.001","90","","1610.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br2 N O3 S -","- C15 H17 Br2 N O3 S -","- C60 H68 Br8 N4 O12 S4 -","4","1","","Gaoquan Li; Stephen F. Nelsen; Almaz S. Jalilov; Ilia A. Guzei","O-Capped Heteroadamantyl-Substituted Hydrazines and Their Oxidation Products","Journal of Organic Chemistry","2010","75","","2445","2452","10.1021/jo100294u","","","0.71073","Mo-Kα","","0.0279","0.0258","","","0.0673","0.0684","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025367","11.0171","0.0007","8.4841","0.0005","25.5815","0.0014","90","","90","","90","","2391.1","0.2","123","","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","1","","Christoph Beyer; Hans-Achim Wagenknecht","Synthesis of Spiropyrans As Building Blocks for Molecular Switches and Dyads","Journal of Organic Chemistry","2010","75","","2752","2755","10.1021/jo100309r","","","0.71073","MoKα","","0.0478","0.0387","","","0.0987","0.102","","","","","","1.059","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025368","20.555","0.0014","7.568","0.0005","23.917","0.0016","90","","90","","90","","3720.5","0.4","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Quinazolino benzodiazepinone","","","- C20 H18 Cl2 N4 O -","- C20 H18 Cl2 N4 O -","- C160 H144 Cl16 N32 O8 -","8","1","","Umesh A. Kshirsagar; Vedavati G. Puranik; Narshinha P. Argade","Total Synthesis of Proposed Auranthine","Journal of Organic Chemistry","2010","75","","2702","2705","10.1021/jo100400z","","","0.71073","MoKα","","0.08","0.0605","","","0.1708","0.1879","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025369","12.5886","0.0008","9.3268","0.0006","14.0793","0.001","90","","93.555","0.001","90","","1649.89","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrahydroquinazolinopyridobenzodiazepindione","","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C76 H64 N16 O12 -","4","1","","Umesh A. Kshirsagar; Vedavati G. Puranik; Narshinha P. Argade","Total Synthesis of Proposed Auranthine","Journal of Organic Chemistry","2010","75","","2702","2705","10.1021/jo100400z","","","0.71073","MoKα","","0.0436","0.0389","","","0.0957","0.0993","","","","","","1.054","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025370","20.072","0.004","17.495","0.004","9.4424","0.0019","90","","90","","90","","3315.8","1.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-nBu-isocyanide","","","- C35 H49 N3 O2 -","- C35 H49 N3 O2 -","- C140 H196 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0901","0.0747","","","0.1362","0.1452","","","","","","1.006","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025371","17.7","0.004","11.334","0.002","18.171","0.004","90","","113.27","0.03","90","","3348.8","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-KetoDipp-Benzylisocyanide","","","- C38 H47 N3 O2 -","- C38 H47 N3 O2 -","- C152 H188 N12 O8 -","4","1","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0606","0.0462","","","0.1204","0.133","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025372","19.864","0.004","17.853","0.004","9.782","0.002","90","","90","","90","","3469","1.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-Cy-isocyanide","","","- C37 H51 N3 O2 -","- C37 H51 N3 O2 -","- C148 H204 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0778","0.0587","","","0.1101","0.1196","","","","","","1.006","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025373","9.897","0.002","10.055","0.002","35.743","0.007","90","","90.86","0.03","90","","3556.5","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-KetoDipp-tBu-isocyanide","","","- C38 H56 N3 O2 -","- C38 H56 N3 O2 -","- C152 H224 N12 O8 -","4","1","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0626","0.0535","","","0.1512","0.1644","","","","","","1.005","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025374","20.389","0.004","18.232","0.004","8.9686","0.0018","90","","90","","90","","3333.9","1.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-Ph-isocyanide","","","- C37 H45 N3 O2 -","- C37 H45 N3 O2 -","- C148 H180 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0588","0.049","","","0.1429","0.158","","","","","","1.005","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025375","20.054","0.004","17.777","0.004","9.5644","0.0019","90","","90","","90","","3409.7","1.2","110","2","110","2","","","","","","","","4","P n m a","-P 2ac 2n","62","6-KetoDipp-2,6-dimethylphenylisocyanide","","","- C39 H49 N3 O2 -","- C39 H49 N3 O2 -","- C156 H196 N12 O8 -","4","0.5","","Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski","N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene","Journal of Organic Chemistry","2010","75","","2763","2766","10.1021/jo100427g","","","0.71073","MoKα","","0.0654","0.0606","","","0.1692","0.1748","","","","","","1.008","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025376","9.223","0.0014","8.4911","0.0013","22.643","0.004","90","","91.385","0.002","90","","1772.7","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","9-(4-(tert-butyldimethylsilyloxy)-5-((tert-butyldimethylsilyloxy) methyl)tetrahydrofuran-2-yl)-6-(5-p-tolyl-1H-1,2,3-triazol-1-yl)- 9H-purine","","- C31 H47 N7 O3 Si2 -","- C31 H47 N7 O3 Si2 -","- C62 H94 N14 O6 Si4 -","2","1","","Mahesh K. Lakshman; Manish K. Singh; Damon Parrish; Raghavan Balachandran; Billy W. Day","Azide-Tetrazole Equilibrium of C-6 Azidopurine Nucleosides and Their Ligation Reactions with Alkynes","Journal of Organic Chemistry","2010","75","","2461","2473","10.1021/jo902342z","","","0.71073","MoKα","","0.0357","0.0314","","","0.0822","0.0893","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025377","8.5969","0.0012","14.44","0.002","16.362","0.002","90","","102.739","0.003","90","","1981.2","0.5","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 -","- C56 H38 -","- C112 H76 -","2","0.5","","Zachary J. O'Brien; Steven D. Karlen; Saeed Khan; Miguel A. Garcia-Garibay","Solid-State Molecular Rotors with Perdeuterated Stators: Mechanistic Insights from Biphenylene Rotational Dynamics in Ordered and Disordered Crystal Forms","Journal of Organic Chemistry","2010","75","","2482","2491","10.1021/jo9025176","","","0.71073","MoKα","","0.224","0.0573","","","0.0919","0.1314","","","","","","0.922","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025378","15.991","0.0013","7.5955","0.0006","36.383","0.003","90","","91.064","0.001","90","","4418.3","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 -","- C62 H48 -","- C248 H192 -","4","1","","Zachary J. O'Brien; Steven D. Karlen; Saeed Khan; Miguel A. Garcia-Garibay","Solid-State Molecular Rotors with Perdeuterated Stators: Mechanistic Insights from Biphenylene Rotational Dynamics in Ordered and Disordered Crystal Forms","Journal of Organic Chemistry","2010","75","","2482","2491","10.1021/jo9025176","","","0.71073","MoKα","","0.0584","0.0483","","","0.1315","0.1399","","","","","","1.017","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025379","32.288","0.011","13.621","0.004","20.774","0.007","90","","122.411","0.006","90","","7713","4","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H39 Cl3 N4 Ni -","- C49 H39 Cl3 N4 Ni -","- C392 H312 Cl24 N32 Ni8 -","8","1","","Holly Boedigheimer; Gregory M. Ferrence; Timothy D. Lash","Porphyrin on a Half-Shell! Synthesis and Characterization of Corannulenoporphyrins","Journal of Organic Chemistry","2010","75","","2518","2527","10.1021/jo902592u","","x-ray","0.71073","MoKα","","0.1686","0.0791","","","0.1424","0.1771","","","","","","1.012","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025380","26.215","0.006","3.8912","0.0009","9.856","0.002","90","","90","","90","","1005.4","0.4","396","2","396","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H6 Br N O2 S -","- C10 H6 Br N O2 S -","- C40 H24 Br4 N4 O8 S4 -","4","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71073","MoKα","","0.0489","0.0463","","","0.1104","0.1122","","","","","","1.066","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025381","13.379","0.003","7.1453","0.0015","9.777","0.002","90","","97.835","0.004","90","","925.9","0.3","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O4 S -","- C8 H9 N O4 S -","- C32 H36 N4 O16 S4 -","4","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71073","MoKα","","0.0395","0.0355","","","0.0863","0.0988","","","","","","1.137","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025382","12.453","0.005","8.941","0.003","18.435","0.007","90","","90","","90","","2052.6","1.3","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 S -","- C8 H15 N O3 S -","- C64 H120 N8 O24 S8 -","8","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71075","MoKα","","0.0829","0.0542","","","0.172","0.2255","","","","","","1.163","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025383","18.083","0.002","13.6403","0.0015","7.879","0.0009","90","","97.809","0.002","90","","1925.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C96 H76 N4 O16 -","4","1","","Min Jiang; Yin Wei; Min Shi","Acetoxylation and Hydroxylation of Diarylmethylenecycloalkanes via Radical Approach","Journal of Organic Chemistry","2010","75","","2528","2533","10.1021/jo9027209","","","0.71073","MoKα","","0.0894","0.0664","","","0.1729","0.1894","","","","","","1.071","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025384","9.066","0.003","9.498","0.002","19.981","0.006","90","","102.22","0.03","90","","1681.6","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C28 H50 N2 O6 -","- C28 H50 N2 O6 -","- C56 H100 N4 O12 -","2","1","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.118","0.0525","","","0.1078","0.1262","","","","","","0.704","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025385","5.0354","0.0014","16.767","0.004","17.907","0.005","90","","90","","90","","1511.9","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.0723","0.0387","","","0.0769","0.0853","","","","","","0.717","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025386","4.8357","0.0001","31.1808","0.0006","8.5989","0.0002","90","","103.178","0.001","90","","1262.41","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","2","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.1172","0.0631","","","0.1232","0.1584","","","","","","1.016","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025387","8.9828","0.0009","10.4604","0.001","12.0419","0.0011","84.888","0.002","80.135","0.002","82.659","0.002","1103.01","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C52 H52 N4 O6 -","2","1","","Xiao-Feng Xia; Xing-Zhong Shu; Ke-Gong Ji; Yan-Fang Yang; Ali Shaukat; Xue-Yuan Liu; Yong-Min Liang","Platinum-Catalyzed Michael Addition and Cyclization of Tertiary Amines with Nitroolefins by Dehydrogenation of α,β-sp3C-H Bonds","Journal of Organic Chemistry","2010","75","","2893","2902","10.1021/jo100133z","","","0.71073","MoKα","","0.0813","0.049","","","0.1218","0.1435","","","","","","1.055","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025388","15.292","0.003","6.2213","0.0014","18.49","0.004","90","","93.435","0.005","90","","1755.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 O -","- C22 H27 O -","- C88 H108 O4 -","4","1","","Guijie Li; Yuanhong Liu","Gold-Catalyzed Benzannulation of 3-Alkoxy-1,5-enynes: Access to Functionalized Benzenes","Journal of Organic Chemistry","2010","75","","2903","2909","10.1021/jo100137j","","","0.71073","MoKα","","0.1427","0.0601","","","0.144","0.1736","","","","","","0.78","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025389","13.3","0.0004","16.5434","0.0005","20.936","0.0008","90","","90","","90","","4606.5","0.3","293","","293","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 N4 O10 Se2 -","- C44 H50 N4 O10 Se2 -","- C176 H200 N16 O40 Se8 -","4","1","","Nasir Baig Rashid Baig; R. N. Chandrakala; V. Sai Sudhir; Srinivasan Chandrasekaran","Synthesis of Unnatural Selenocystines and β-Aminodiselenides via Regioselective Ring-Opening of Sulfamidates Using a Sequential, One-Pot, Multistep Strategy","Journal of Organic Chemistry","2010","75","","2910","2921","10.1021/jo1001388","","x-ray","0.71073","MoKα","","0.1102","0.0336","","","0.0505","0.06","","","","","","0.729","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025390","45.39","0.005","45.39","0.005","28.447","0.007","90","","90","","90","","58608","17","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","K(H2O)2[(CB2)2Ph]4","[K(C28H26N16O8)4(H2O)2](CF3COO).16CF3COOH.48H2O","","- C146 H220 F51 K N64 O116 -","- C112 H104 K N64 O34 -","- C896 H832 K8 N512 O272 -","8","0.25","","Da Ma; Zuzana Gargulakova; Peter Y. Zavalij; Vladimir Sindelar; Lyle Isaacs","Reasons Why Aldehydes Do Not Generally Participate in Cucurbit[n]uril Forming Reactions","Journal of Organic Chemistry","2010","75","","2934","2941","10.1021/jo100186q","","","0.71073","MoKα","","0.1216","0.0948","","","0.187","0.197","","","","","","1","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025391","8.2799","0.0017","11.836","0.002","22.785","0.005","90","","90.9","0.03","90","","2232.7","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N8 O7 -","- C22 H22 N8 O6.5 -","- C88 H88 N32 O26 -","4","1","","Da Ma; Zuzana Gargulakova; Peter Y. Zavalij; Vladimir Sindelar; Lyle Isaacs","Reasons Why Aldehydes Do Not Generally Participate in Cucurbit[n]uril Forming Reactions","Journal of Organic Chemistry","2010","75","","2934","2941","10.1021/jo100186q","","","0.71073","MoKα","","0.0592","0.0528","","","0.141","0.1471","","","","","","1.091","","","","has coordinates,has disorder","178432","2020-10-21","18:00:00",""
"4025392","9.1223","0.0002","10.2911","0.0002","12.3139","0.0002","69.152","0.001","77.562","0.001","70.655","0.001","1013.08","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl3 N4 O3 -","- C22 H13 Cl3 N4 O3 -","- C44 H26 Cl6 N8 O6 -","2","1","","Haitao Yu; Jinbo Li; Zhuangfei Kou; Xuewen Du; Yi wei; Hoong-Kun Fun; Jianhua Xu; Yan Zhang","Photoinduced Tandem Reactions of Isoquinoline-1,3,4-trione with Alkynes To Build Aza-polycycles","Journal of Organic Chemistry","2010","75","","2989","3001","10.1021/jo100218w","","","0.71073","MoKα","","0.0435","0.0388","","","0.107","0.1106","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025393","8.531","0.0017","26.709","0.005","8.869","0.0018","90","","106.52","0.03","90","","1937.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 O4 -","- C22 H15 N4 O4 -","- C88 H60 N16 O16 -","4","1","","Haitao Yu; Jinbo Li; Zhuangfei Kou; Xuewen Du; Yi wei; Hoong-Kun Fun; Jianhua Xu; Yan Zhang","Photoinduced Tandem Reactions of Isoquinoline-1,3,4-trione with Alkynes To Build Aza-polycycles","Journal of Organic Chemistry","2010","75","","2989","3001","10.1021/jo100218w","","","0.71073","MoKα","","0.1902","0.1211","","","0.2616","0.2912","","","","","","1.427","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025394","10.986","0.0011","8.3694","0.0009","15.2879","0.0016","90","","109.077","0.001","90","","1328.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","","Bo Jiang; Chao Li; Feng Shi; Shu-Jiang Tu; Parminder Kaur; Walter Wever; Guigen Li","Four-Component Domino Reaction Providing an Easy Access to Multifunctionalized Tricyclo[6.2.2.01,6]dodecane Derivatives","Journal of Organic Chemistry","2010","75","","2962","2965","10.1021/jo1002278","","","0.71073","MoKα","","0.1063","0.0627","","","0.1745","0.193","","","","","","1.07","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025395","10.0297","0.0002","10.3403","0.0002","10.7915","0.0002","109.31","0.001","110.16","0.001","95.922","0.001","961.27","0.03","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 N2 -","- C26 H18 N2 -","- C52 H36 N4 -","2","1","","Jan Storch; Jan Čermák; Jindřich Karban; Ivana Císařová; Jan Sýkora","Synthesis of 2-Aza[6]helicene and Attempts To Synthesize 2,14-Diaza[6]helicene Utilizing Metal-Catalyzed Cycloisomerization","Journal of Organic Chemistry","2010","75","","3137","3140","10.1021/jo100252a","","","0.71073","MoKα","","0.0485","0.0368","","0.0578","0.0458","0.0458","","","","","","1.1126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025396","19.3228","0.0003","17.3708","0.0002","8.8384","0.0001","90","","96.451","0.001","90","","2947.85","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","2","","Ruili Gao; Chae S. Yi","Regioselective Formation of α-Vinylpyrroles from the Ruthenium-Catalyzed Coupling Reaction of Pyrroles and Terminal Alkynes Involving C-H Bond Activation","Journal of Organic Chemistry","2010","75","","3144","3146","10.1021/jo100269y","","","1.54178","CuKα","","0.0335","0.031","","","0.0768","0.0787","","","","","","0.993","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025397","7.3861","0.0019","6.1929","0.0016","18.088","0.005","90","","99.191","0.004","90","","816.7","0.4","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl N4 O -","- C7 H5 Cl N4 O -","- C28 H20 Cl4 N16 O4 -","4","1","","Tal Harel; Shlomo Rozen","The Tetrazole 3-N-Oxide Synthesis","Journal of Organic Chemistry","2010","75","","3141","3143","10.1021/jo100278z","","","0.71073","MoKα","","0.0795","0.0692","","","0.1407","0.1453","","","","","","1.268","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025398","7.2868","0.0014","9.243","0.0017","11.019","0.002","90","","90","","90","","742.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C24 H40 N16 O4 -","4","1","","Tal Harel; Shlomo Rozen","The Tetrazole 3-N-Oxide Synthesis","Journal of Organic Chemistry","2010","75","","3141","3143","10.1021/jo100278z","","","0.71073","MoKα","","0.0455","0.0443","","","0.1141","0.1149","","","","","","1.106","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025399","9.7257","0.0005","8.5132","0.0004","18.6413","0.0009","90","","97.1384","0.0015","90","","1531.48","0.13","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N O7 S -","- C13 H19 N O7 S -","- C52 H76 N4 O28 S4 -","4","1","","Akio Kamimura; Toshiki Nakano","Use of the Diels-Alder Adduct of Pyrrole in Organic Synthesis. Formal Racemic Synthesis of Tamiflu","Journal of Organic Chemistry","2010","75","","3133","3136","10.1021/jo1002856","","","0.71075","MoKα","","","0.044","","","","0.0438","","","","","","2.498","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025400","6.34741","0.00007","10.76431","0.00009","12.86992","0.00013","90","","102.271","0.001","90","","859.254","0.015","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","1","","Alexander M. R. Smith; Henry S. Rzepa; Andrew J. P. White; Denis Billen; King Kuok (Mimi) Hii","Delineating Origins of Stereocontrol in Asymmetric Pd-Catalyzed α-Hydroxylation of 1,3-Ketoesters","Journal of Organic Chemistry","2010","75","","3085","3096","10.1021/jo1002906","","","1.54184","CuKα","","0.0277","0.0259","","","0.0679","0.0688","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025401","6.218","0.0002","13.0241","0.0004","18.1587","0.0006","90","","90","","90","","1470.56","0.08","298","2","298","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Maialen Aginagalde; Yosu Vara; Ana Arrieta; Ronen Zangi; Vicente L. Cebolla; Arantzazu Delgado-Camón; Fernando P. Cossío","Tandem [8 + 2] Cycloaddition-[2 + 6 + 2] Dehydrogenation Reactions Involving Imidazo[1,2-a]pyridines and Imidazo[1,2-a]pyrimidines","Journal of Organic Chemistry","2010","75","","2776","2784","10.1021/jo9022815","","x-ray","0.71073","MoKα","","0.066","0.0479","","","0.1142","0.1212","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025402","10.483","0.004","12.555","0.005","12.698","0.005","111.777","0.008","111.332","0.007","92.411","0.009","1415","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 N2 O2 -","- C35 H30 N2 O2 -","- C70 H60 N4 O4 -","2","1","","Morteza Bararjanian; Saeed Balalaie; Frank Rominger; Barahman Movassagh; Hamid Reza Bijanzadeh","Six-Component Reactions for the Stereoselective Synthesis of 3-Arylidene-2-oxindoles via Sequential One-Pot Ugi/Heck Carbocyclization/Sonogashira/Nucleophilic Addition","Journal of Organic Chemistry","2010","75","","2806","2812","10.1021/jo902713x","","","0.71073","MoKα","","0.1385","0.0908","","","0.1512","0.1671","","","","","","1.19","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025403","5.969","0.0004","10.505","0.0009","18.122","0.0008","90","","90","","90","","1136.33","0.13","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C52 H52 F4 O16 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0995","0.0882","","0.0792","0.0745","0.0745","","","","","","1.0704","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025404","6.069","0.0005","17.099","0.0015","11.238","0.0005","90","","103.155","0.005","90","","1135.61","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C52 H52 F4 O16 -","4","2","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0836","0.0703","","0.0721","0.0689","0.0689","","","","","","1.0928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025405","6.4042","0.0003","9.1961","0.0003","10.046","0.0004","90","","90","","90","","591.65","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0288","0.0265","","0.0328","0.0299","0.0299","","","","","","0.9964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025406","9.3879","0.0003","9.4085","0.0002","6.7494","0.0002","90","","90","","90","","596.15","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.027","0.0246","","0.0295","0.0285","0.0285","","","","","","0.8793","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025407","6.8713","0.0002","9.1449","0.0003","9.5056","0.0003","90","","90","","90","","597.31","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.028","0.0256","","0.0282","0.0263","0.0263","","","","","","1.0715","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025408","6.5963","0.0002","6.5963","0.0002","13.975","0.0003","90","","90","","90","","608.07","0.03","150","","150","","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0276","0.0249","","0.0281","0.0257","0.0257","","","","","","0.9295","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025409","9.847","0.004","12.586","0.002","11.541","0.003","90","","99.81","0.02","90","","1409.4","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C56 H92 N4 O12 -","4","1","","Jin-Di Yu; Wei Ding; Gao-Yan Lian; Ke-Sheng Song; Dan-Wei Zhang; Xiang Gao; Dan Yang","Selective Approach toward Multifunctionalized Lactams by Lewis Acid Promoted PhSe Group Transfer Radical Cyclization","Journal of Organic Chemistry","2010","75","","3232","3239","10.1021/jo100139u","","","0.71073","MoKα","","0.1213","0.043","","","0.0914","0.113","","","","","","1.057","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025410","8.4513","0.0002","11.8642","0.0002","11.7832","0.0003","90","","90","","90","","1181.48","0.05","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5'-Dibromo-2,2'-dichloro-[4,4']bipyridinyl","","- C10 H4 Br2 Cl2 N2 -","- C10 H4 Br2 Cl2 N2 -","- C40 H16 Br8 Cl8 N8 -","4","0.5","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0447","0.0371","","","0.0809","0.0836","","","","","","1.152","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025411","7.3807","0.0002","7.2933","0.0003","10.2971","0.0003","90","","107.738","0.003","90","","527.94","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Bromo-2,2'-dichloro-[4,4']bipyridinyl","","- C10 H5 Br Cl2 N2 -","- C10 H5 Br Cl2 N2 -","- C20 H10 Br2 Cl4 N4 -","2","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0757","0.0627","","","0.1644","0.1759","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025412","7.43736","0.00019","7.9517","0.0002","11.0587","0.0002","96.1554","0.0019","105.829","0.002","96.035","0.002","619.38","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","2,4,2',3'-Tetrabromo-[3,4']bipyridinyl","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C20 H8 Br8 N4 -","2","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.03","0.025","","","0.0636","0.0652","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025413","8.111","0.0002","20.3758","0.0002","8.2664","0.0001","90","","117.055","0.002","90","","1216.67","0.04","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,6,2',6'-Tetrabromo-[3,4']bipyridinyl","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0319","0.0275","","","0.0646","0.066","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025414","13.6345","0.0003","3.8144","0.0001","19.833","0.0005","90","","90","","90","","1031.46","0.04","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5'-Bromo-6,2'-dichloro-[2,4']bipyridinyl","","- C10 H5 Br Cl2 N2 -","- C10 H5 Br Cl2 N2 -","- C40 H20 Br4 Cl8 N8 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0355","0.0284","","","0.0561","0.0576","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025415","14.136","0.0003","4.995","0.0001","17.563","0.0003","90","","112.544","0.002","90","","1145.35","0.04","","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C9 H7 Br2 Cl2 N2 O -","- C10 H7 Br2 Cl N2 O -","- C40 H28 Br8 Cl4 N8 O4 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","","","","","","","","","","","","","","","","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025416","11.7935","0.0011","16.0031","0.0019","20.98","0.002","90","","90","","90","","3959.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H11 Cl3 N2 O4 -","- C22 H11 Cl3 N2 O4 -","- C176 H88 Cl24 N16 O32 -","8","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","1.54178","CuKα","","0.0838","0.046","","","0.0946","0.108","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025417","12.955","0.003","12.25","0.003","7.2861","0.0018","90","","101.256","0.004","90","","1134.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br Cl2 N O2 -","- C11 H6 Br Cl2 N O2 -","- C44 H24 Br4 Cl8 N4 O8 -","4","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","0.71073","MoKα","","0.035","0.0311","","","0.0804","0.0822","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025418","7.264","0.003","10.881","0.005","11.653","0.005","95.189","0.006","96.222","0.006","92.405","0.006","910.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BR4","","","- C14 H12 Br4 N2 O4 -","- C14 H12 Br4 N2 O4 -","- C28 H24 Br8 N4 O8 -","2","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","0.71073","MoKα","","0.0736","0.0586","","","0.149","0.1634","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4025419","7.1534","0.0002","12.513","0.0004","17.5939","0.0006","90","","92.533","0.003","90","","1573.3","0.09","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl O3 S -","- C17 H17 Cl O3 S -","- C68 H68 Cl4 O12 S4 -","4","1","","Zofia Komsta; Michał Barbasiewicz; Mieczysław Mąkosza","Diastereoselective Synthesis of Tetrahydrofurans from Aryl 3-Chloropropylsulfoxides and Aldehydes","Journal of Organic Chemistry","2010","75","","3251","3259","10.1021/jo1002196","","","0.71073","MoKα","","0.0298","0.0251","","","0.0711","0.0726","","","","","","1.108","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025420","9.097","0.0009","11.8293","0.0012","10.4197","0.001","90","","95.941","0.002","90","","1115.25","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3a,9-dimethyl-3,3a-dihydro-1H-benzo[d]pyrrolo[2,1-b][1,3]oxazine-1,5(2H)-dione","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Enguang Feng; Yu Zhou; Dengyou Zhang; Lei Zhang; Haifeng Sun; Hualiang Jiang; Hong Liu","Gold(I)-Catalyzed Tandem Transformation: A Simple Approach for the Synthesis of Pyrrolo/Pyrido[2,1-a][1,3]benzoxazinones and Pyrrolo/Pyrido[2,1-a]quinazolinones","Journal of Organic Chemistry","2010","75","","3274","3282","10.1021/jo100228u","","","0.71073","MoKα","","0.0592","0.0508","","","0.137","0.1438","","","","","","1.048","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025421","12.011","0.003","17.46","0.006","21.99","0.007","109.09","0.008","92.409","0.007","101.171","0.007","4248","2","123.2","","123.2","","","","","","","","","3","P -1","-P 1","2","","","","- C91 H142 O12 -","- C91 H142 O12 -","- C182 H284 O24 -","2","1","","Tomoki Ogoshi; Keisuke Kitajima; Takamichi Aoki; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto","Synthesis and Conformational Characteristics of Alkyl-Substituted Pillar[5]arenes","Journal of Organic Chemistry","2010","75","","3268","3273","10.1021/jo100273n","","","0.7107","MoKα","","","0.0682","","","","0.0887","","","","","","1.182","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025422","25.32","0.005","5.5127","0.001","13.832","0.002","90","","113.078","0.003","90","","1776.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Ben-Hu Zhu; Rui Zhou; Jun-Cheng Zheng; Xian-Ming Deng; Xiu-Li Sun; Qi Shen; Yong Tang","Highly Selective Ylide-Initiated Michael Addition/Cyclization Reaction for Synthesis of Cyclohexadiene Epoxide and Vinylcyclopropane Derivatives","Journal of Organic Chemistry","2010","75","","3454","3457","10.1021/jo100306z","","","0.71073","MoKα","","0.0932","0.0647","","","0.1471","0.1558","","","","","","0.866","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025423","5.7405","0.0015","11.557","0.003","16.173","0.004","90","","97.135","0.004","90","","1064.7","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O4 -","- C22 H20 N6 O4 -","- C44 H40 N12 O8 -","2","0.5","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.1124","0.0505","","","0.1084","0.126","","","","","","1.001","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025424","9.0554","0.0014","15.049","0.002","17.184","0.002","90.452","0.011","100.466","0.011","97.404","0.012","2282.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H60 N6 O2 -","- C50 H60 N6 O2 -","- C100 H120 N12 O4 -","2","1","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.3153","0.105","","","0.2418","0.3274","","","","","","0.753","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025425","15.8793","0.0018","8.523","0.0007","33.307","0.004","90","","91.269","0.009","90","","4506.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N6 O2 -","- C50 H64 N6 O2 -","- C200 H256 N24 O8 -","4","1","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.3432","0.0945","","","0.2121","0.302","","","","","","0.71","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025426","13.8917","0.0005","10.9827","0.0004","15.1006","0.0005","90","","115.647","0.002","90","","2076.89","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N6 O2 -","- C46 H60 N6 O2 -","- C92 H120 N12 O4 -","2","0.5","","Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins","Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials","Journal of Organic Chemistry","2010","75","","3350","3357","10.1021/jo100323s","","","0.71073","MoKα","","0.0716","0.0482","","","0.1273","0.1431","","","","","","1.042","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025427","11.9998","0.001","11.1729","0.0007","16.9883","0.0014","90","","101.551","0.003","90","","2231.5","0.3","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 B O2 -","- C25 H31 B O2 -","- C100 H124 B4 O8 -","4","1","","Kohei Endo; Munenao Hirokami; Takanori Shibata","Stereoselective Synthesis of Tetrasubstituted Alkenylboronates via 1,1-Organodiboronates","Journal of Organic Chemistry","2010","75","","3469","3472","10.1021/jo1003407","","","0.71075","MoKα","","","0.0492","","","","0.0696","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025428","8.7496","0.0004","12.292","0.0007","17.7704","0.0008","90","","98.0053","0.0011","90","","1892.58","0.16","296","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Wangze Song; Wei Lu; Jing Wang; Ping Lu; Yanguang Wang","A Facile Route to γ-Nitro Imidates via Four-Component Reaction of Alkynes with Sulfonyl Azides, Alcohols, and Nitroolefins","Journal of Organic Chemistry","2010","75","","3481","3483","10.1021/jo100354h","","","0.71075","MoKα","","","0.0385","","","","0.0879","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025429","10.2576","0.0006","12.675","0.0007","12.9218","0.0008","95.278","0.001","110.776","0.001","108.459","0.001","1449.9","0.15","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","2","","Nitin T. Patil; Rahul D. Kavthe; Valmik S. Shinde; Balasubramanian Sridhar","Pt(IV)-Catalyzed Hydroamination Triggered Cyclization: A Strategy to Fused Pyrrolo[1,2-a]quinoxalines, Indolo[1,2-a]quinoxalines, and Indolo[3,2-c]quinolines","Journal of Organic Chemistry","2010","75","","3371","3380","10.1021/jo100373w","","","0.71073","MoKα","","0.0453","0.0405","","","0.1054","0.1092","","","","","","1.015","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025430","8.1163","0.0007","8.4645","0.0007","11.6804","0.0009","98.359","0.001","101.378","0.001","109.283","0.001","723.07","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Nitin T. Patil; Rahul D. Kavthe; Valmik S. Shinde; Balasubramanian Sridhar","Pt(IV)-Catalyzed Hydroamination Triggered Cyclization: A Strategy to Fused Pyrrolo[1,2-a]quinoxalines, Indolo[1,2-a]quinoxalines, and Indolo[3,2-c]quinolines","Journal of Organic Chemistry","2010","75","","3371","3380","10.1021/jo100373w","","","0.71073","MoKα","","0.0459","0.0431","","","0.1137","0.1176","","","","","","1.029","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025431","10.29","0.002","11.499","0.002","18.124","0.004","96.42","0.03","100.91","0.03","109.24","0.03","1952.7","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 Br O3 -","- C22 H21 Br O3 -","- C88 H84 Br4 O12 -","4","2","","Yazhou Wang; Haifeng Du","A Copper(II)-Mediated Regioselective Cyclization-Acetoxylation of 6,8-Dien-1-ones for the Synthesis of Functionalized Cyclopentanes","Journal of Organic Chemistry","2010","75","","3503","3506","10.1021/jo100413p","","","0.71073","MoKα","","0.0727","0.0571","","","0.1356","0.1449","","","","","","1.094","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025432","8.56","0.0006","8.7553","0.0006","10.5123","0.0007","110.471","0.002","97.296","0.002","98.322","0.002","716.79","0.09","103","2","103","2","","","","","","","synthesized","5","P -1","-P 1","2","1-O-Tosyl-2-(acetamido)phenol","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C30 H30 N2 O8 S2 -","2","1","","Takao Yamaguchi; Dusan Hesek; Mijoon Lee; Allen G. Oliver; Shahriar Mobashery","Sulfonylation-Induced N- to O-Acetyl Migration in 2-Acetamidoethanol Derivatives","Journal of Organic Chemistry","2010","75","","3515","3517","10.1021/jo100456z","","x-ray","1.54178","CuKα","","0.0339","0.0337","","","0.0888","0.0889","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025433","9.6175","0.001","12.5672","0.0012","12.7864","0.0014","105.959","0.002","106.957","0.002","109.062","0.002","1274.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N O -","- C34 H27 N O -","- C68 H54 N2 O2 -","2","1","","Guijie Li; Yuanhong Liu","Gold-Catalyzed Intramolecular Indole/Alkyne Cyclization Cascades through a Heterolytic Fragmentation: 1,5-Indole Migration and Allenylation","Journal of Organic Chemistry","2010","75","","3526","3528","10.1021/jo1005125","","","0.71073","MoKα","","0.1554","0.0494","","","0.1073","0.1784","","","","","","0.865","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025434","9.7594","0.001","18.7562","0.0019","15.1482","0.0016","90","","103.799","0.002","90","","2692.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 N O2 -","- C35 H29 N O2 -","- C140 H116 N4 O8 -","4","1","","Guijie Li; Yuanhong Liu","Gold-Catalyzed Intramolecular Indole/Alkyne Cyclization Cascades through a Heterolytic Fragmentation: 1,5-Indole Migration and Allenylation","Journal of Organic Chemistry","2010","75","","3526","3528","10.1021/jo1005125","","","0.71073","MoKα","","0.1133","0.0468","","","0.0819","0.1011","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025435","10.1157","0.0019","10.7","0.002","11.006","0.002","88.025","0.004","78.525","0.004","62.262","0.003","1031","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Cl3 N2 O2 -","- C21 H25 Cl3 N2 O2 -","- C42 H50 Cl6 N4 O4 -","2","1","","Gopal Sirasani; Tapas Paul; William Dougherty; Scott Kassel; Rodrigo B. Andrade","Concise Total Syntheses of (\±)-Strychnine and (\±)-Akuammicine","Journal of Organic Chemistry","2010","75","","3529","3532","10.1021/jo100516g","","","0.71073","MoKα","","0.1035","0.0625","","","0.1565","0.1788","","","","","","1.04","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025436","20.2466","0.0014","14.2736","0.001","24.141","0.0016","90","","96.01","0.001","90","","6938.2","0.8","173","1","173","1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C146 H194 Cl6 O14 -","- C146 H194 Cl6 O14 -","- C292 H388 Cl12 O28 -","2","1","","Norbert Itzhak; Silvio E. Biali","Selective Functionalization of a Single Methylene Bridge of a Calix[6]arene","Journal of Organic Chemistry","2010","75","","3437","3442","10.1021/jo1005476","","","0.71073","MoKα","","0.114","0.0812","","","0.2067","0.2274","","","","","","1.049","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025437","13.56","0.004","11.064","0.003","15.483","0.004","90","","111.043","0.003","90","","2168","1","143.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 N2 O6 -","- C50 H58 N2 O6 -","- C100 H116 N4 O12 -","2","0.5","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.0363","","","","0.0457","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025438","9.59","0.009","10.948","0.009","15.807","0.014","90","","103.023","0.013","90","","1617","2","143.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 N2 O6 -","- C38 H34 N2 O6 -","- C76 H68 N4 O12 -","2","0.5","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.0557","","","","0.06","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025439","13.607","0.012","14.229","0.011","16.383","0.013","94.071","0.007","105.328","0.011","106.621","0.011","2894","4","143.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H51 N3 O9 -","- C60 H57 N3 O12 -","- C120 H114 N6 O24 -","2","1","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.1079","","","","0.1111","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025440","9.005","0.003","16.454","0.005","17.343","0.005","78.977","0.01","88.847","0.011","87.54","0.01","2519.8","1.4","143.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H74 Cl18 N4 O8 -","- C106 H74 Cl18 N4 O8 -","- C106 H74 Cl18 N4 O8 -","1","0.5","","Koji Miki; Michiyasu Fujita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Synthesis of Strained Pyridine-Containing Cyclyne via Reductive Aromatization","Journal of Organic Chemistry","2010","75","","3537","3540","10.1021/jo1006202","","","0.7107","MoKα","","","0.1512","","","","0.2282","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025441","10.162","0.002","11.882","0.003","15.104","0.005","90","","90","","90","","1823.7","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Xiaocong Xie; Zhe Yang; Joseph M. Fox","Stereospecific Synthesis of Alkylidenecyclopropanes via Sequential Cyclopropene Carbomagnesation/1,3-Carbon Shift","Journal of Organic Chemistry","2010","75","","3847","3850","10.1021/jo1002938","","","0.71073","MoKα","","0.1116","0.0496","","","0.0831","0.1002","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025442","11.8985","0.001","10.8903","0.0008","11.9769","0.0008","90","","110.144","0.002","90","","1457.01","0.19","296.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H39 N O5 S Si -","- C25 H43 N O5 S Si -","- C50 H86 N2 O10 S2 Si2 -","2","1","","Shingo Ishikawa; Fumiaki Noguchi; Akio Kamimura","Asymmetric Synthesis of 2-Alkyl-Substituted 2,5-Dihydropyrroles from Optically Active Aza-Baylis-Hillman Adducts. Formal Synthesis of (-)-Trachelanthamidine.","Journal of Organic Chemistry","2010","75","","3578","3586","10.1021/jo100315j","","","0.71075","MoKα","","","0.0651","","","","0.0381","","","","","","3.478","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025443","5.6096","0.001","13.645","0.002","23.142","0.004","90","","90","","90","","1771.4","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl_amine","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl amine","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0749","0.037","","","0.062","0.0712","","","","","","0.727","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025444","7.3136","0.001","14.757","0.002","15.839","0.002","90","","90","","90","","1709.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acteyl-<i>β</i>-D-glucopyranosyl_isocyanate","2,3,4,6-tetra-<i>O</i>-acteyl-<i>β</i>-D-glucopyranosyl isocyanate","","- C15 H19 N O10 -","- C15 H19 N O10 -","- C60 H76 N4 O40 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0809","0.0433","","","0.0848","0.0987","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025445","7.3509","0.0004","14.7643","0.0007","15.9289","0.0008","90","","90","","90","","1728.78","0.15","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl_azide","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.042","0.0387","","","0.0938","0.0953","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025446","8.9267","0.0013","10.1168","0.0014","19.871","0.003","90","","90","","90","","1794.5","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl_azide","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0578","0.0356","","","0.0613","0.0662","","","","","","0.896","","","","has coordinates","287905","2023-11-30","18:01:52",""
"4025447","7.352","0.014","7.528","0.014","45.19","0.08","90","","90.33","0.03","90","","2501","8","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O8 S -","- C25 H31 Br O8 S -","- C100 H124 Br4 O32 S4 -","4","2","","Shiharu Hiraoka; Shinji Harada; Atsushi Nishida","Catalytic Enantioselective Total Synthesis of (-)-Platyphyllide and Its Structural Revision","Journal of Organic Chemistry","2010","75","","3871","3874","10.1021/jo1003746","","","0.71073","MoKα","","0.0947","0.0636","","","0.1656","0.194","","","","","","0.923","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025448","7.5286","0.0007","14.7366","0.0014","25.678","0.003","90","","90","","90","","2848.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Lei Zhang; Deju Ye; Yu Zhou; Guannan Liu; Enguang Feng; Hualiang Jiang; Hong Liu","Regioselective Synthesis of 3-Benzazepinones and Unexpected 5-Bromo-3-benzazepinones","Journal of Organic Chemistry","2010","75","","3671","3677","10.1021/jo100378u","","","0.71073","MoKα","","0.0723","0.0549","","","0.144","0.1541","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025449","12.744","0.0012","14.3064","0.0014","17.7456","0.0017","90","","105.566","0.002","90","","3116.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C144 H128 Br8 N8 O8 -","8","2","","Lei Zhang; Deju Ye; Yu Zhou; Guannan Liu; Enguang Feng; Hualiang Jiang; Hong Liu","Regioselective Synthesis of 3-Benzazepinones and Unexpected 5-Bromo-3-benzazepinones","Journal of Organic Chemistry","2010","75","","3671","3677","10.1021/jo100378u","","","0.71073","MoKα","","0.0774","0.0402","","","0.0885","0.0945","","","","","","0.869","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025450","13.15","0.03","12.75","0.03","14.29","0.03","90","","114.524","0.015","90","","2180","8","150.05","","150.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl4 O10 P2 -","- C44 H40 Cl4 O10 P2 -","- C88 H80 Cl8 O20 P4 -","2","0.5","","Yasunobu Nishimura; Yuka Kawamura; Yutaka Watanabe; Minoru Hayashi","Bis-3-oxo-λ5-phosphole: Isolation, Structural Analyses, and Synthesis of Phosphorus-ylide Containing Conjugated Heterocycle","Journal of Organic Chemistry","2010","75","","3875","3877","10.1021/jo1004235","","","0.71069","MoKα","","0.1137","0.0847","","","0.2221","0.2438","","","","","","1.112","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025451","11.064","0.017","9.94","0.015","16.43","0.02","90","","99.82","0.016","90","","1780","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O6 -","- C15 H21 N O6 -","- C60 H84 N4 O24 -","4","2","","Taotao Ling; Barbara C. Potts; Venkat R. Macherla","Concise Formal Synthesis of (-)-Salinosporamide A (Marizomib) Using a Regio- and Stereoselective Epoxidation and Reductive Oxirane Ring-Opening Strategy","Journal of Organic Chemistry","2010","75","","3882","3885","10.1021/jo100432g","","","0.71073","MoKα","","0.0489","0.0474","","","0.1314","0.134","","","","","","1.031","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025452","35.58","0.05","7.01","0.005","14.043","0.01","90","","96.245","0.006","90","","3482","6","210.1","","210.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O4 S -","- C20 H17 N O4 S -","- C160 H136 N8 O32 S8 -","8","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.052","","","","0.142","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025453","13.88","0.03","6.535","0.009","21.02","0.07","90","","108.24","0.03","90","","1811","8","100.1","","100.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.051","","","","0.15","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025454","15.99","0.01","6.294","0.005","20.54","0.04","90","","108.204","0.012","90","","1964","4","150.1","","150.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.034","","","","0.078","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025455","7.662","0.01","11.926","0.009","22.09","0.03","85.78","0.06","89.24","0.06","82.34","0.06","1995","4","150.1","","150.1","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","2","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.056","","","","0.179","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025456","8.614","0.001","5.7613","0.0007","16.5693","0.0019","90","","93.186","0.002","90","","821.03","0.17","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 N O2 P -","- C16 H24 N O2 P -","- C32 H48 N2 O4 P2 -","2","1","","Gang Wang; Ruwei Shen; Qing Xu; Midori Goto; Yufen Zhao; Li-Biao Han","Stereospecific Coupling of H-Phosphinates and Secondary Phosphine Oxides with Amines and Alcohols: A General Method for the Preparation of Optically Active Organophosphorus Acid Derivatives","Journal of Organic Chemistry","2010","75","","3890","3892","10.1021/jo100473s","","","0.71073","MoKα","","0.0381","0.0376","","","0.1032","0.1042","","","","","","0.983","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025457","9.0602","0.0005","15.1638","0.001","30.002","0.002","90","","90","","90","","4121.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Cl N O4 S -","- C22 H22 Cl N O4 S -","- C176 H176 Cl8 N8 O32 S8 -","8","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.064","0.0548","","","0.1152","0.1201","","","","","","1.199","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025458","10.5536","0.0004","9.3266","0.0002","19.9006","0.0008","90","","100.196","0.0014","90","","1927.87","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.0689","0.0521","","","0.1118","0.1252","","","","","","1.069","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025459","9.0001","0.0002","10.1935","0.0002","12.2097","0.0002","99.289","0.001","110.667","0.001","90.049","0.001","1032.29","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","1.54178","CuKα","","0.0359","0.0344","","","0.0938","0.095","","","","","","1.055","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025460","9.4824","0.0003","8.168","0.0003","24.3164","0.0005","90","","98.271","0.0018","90","","1863.77","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C84 H76 Cl4 N8 O8 S4 -","4","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.0538","0.0439","","","0.1049","0.1127","","","","","","1.062","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025461","10.7942","0.0003","11.7746","0.0003","14.5883","0.0004","90","","97.065","0.0019","90","","1840.06","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.059","0.0457","","","0.106","0.1174","","","","","","1.057","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025462","6.9411","0.0008","9.266","0.0011","10.4142","0.0012","98.81","0.001","101.15","0.001","109.229","0.001","603.26","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C24 H36 O8 -","2","1","","Satomi Niwayama; Hanjoung Cho; Masoud Zabet-Moghaddam; Bruce R. Whittlesey","Remote Exo/Endo Selectivity in Selective Monohydrolysis of Dialkyl Bicyclo[2.2.1]heptane-2,3-dicarboxylate Derivatives","Journal of Organic Chemistry","2010","75","","3775","3780","10.1021/jo100564e","","","0.71073","MoKα","","0.0636","0.0504","","","0.1428","0.1544","","","","","","1.056","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025463","15.8354","0.0002","15.6986","0.0002","8.4557","0.0001","90","","90","","90","","2102.03","0.05","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H12 Cl2 N6 O4 -","- C20 H12 Cl2 N6 O4 -","- C80 H48 Cl8 N24 O16 -","4","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.0527","0.0457","","","0.1103","0.1178","","","","","","1.053","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025464","8.0502","0.0016","10.501","0.002","11.409","0.002","117.05","0.03","94.98","0.03","99.2","0.03","833.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N8 O4 -","- C34 H44 N8 O4 -","- C34 H44 N8 O4 -","1","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1083","0.0856","","","0.2196","0.2388","","","","","","1.173","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025465","8.3378","0.0017","10.574","0.002","12.317","0.003","72.71","0.03","75.53","0.03","88.81","0.03","1002.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl2 N8 O2 -","- C20 H14 Cl2 N8 O2 -","- C40 H28 Cl4 N16 O4 -","2","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.0737","0.0577","","","0.1639","0.1724","","","","","","1.26","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025466","13.863","0.003","16.948","0.003","13.615","0.003","90","","118.94","0.03","90","","2799.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N10 O2 -","- C27.736 H33.34 N10 O2 -","- C110.944 H133.36 N40 O8 -","4","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.102","0.0718","","","0.1794","0.194","","","","","","1.249","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025467","9.3195","0.0019","26.6","0.005","12.98","0.003","90","","103.64","0.03","90","","3127","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N10 O2 -","- C30 H38 N10 O2 -","- C120 H152 N40 O8 -","4","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1472","0.0777","","","0.1732","0.206","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025468","7.9477","0.0016","15.796","0.003","26.207","0.005","85.58","0.03","83.92","0.03","89.73","0.03","3261.8","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H174 N48 O8 -","- C120 H174 N48 O8 -","- C120 H174 N48 O8 -","1","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1298","0.0841","","","0.1471","0.1618","","","","","","1.196","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025469","23.065","0.005","8.4644","0.0017","17.376","0.004","90","","98.53","0.03","90","","3354.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N12 O2 S2 -","- C30 H44 N12 O2 S2 -","- C120 H176 N48 O8 S8 -","4","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.1103","0.0603","","","0.1418","0.1703","","","","","","0.959","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025470","11.901","0.002","11.962","0.002","17.577","0.004","90.87","0.03","108.35","0.03","116.8","0.03","2083.1","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 Cl2 N10 -","- C48 H40 Cl2 N10 -","- C96 H80 Cl4 N20 -","2","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71069","MoKα","","0.0767","0.0575","","","0.1131","0.1199","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025471","10.748","0.002","11.622","0.002","12.647","0.003","115.77","0.03","98.47","0.03","103.57","0.03","1325.7","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H64 N12 -","- C58 H64 N12 -","- C58 H64 N12 -","1","0.5","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.165","0.0991","","","0.2256","0.2518","","","","","","1.284","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025472","10.157","0.002","18.673","0.004","12.825","0.003","90","","95.33","0.03","90","","2421.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl2 N8 O2 -","- C23 H18 Cl2 N8 O2 -","- C92 H72 Cl8 N32 O8 -","4","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Functionalization of Homo Heterocalix[2]arene[2]triazines: Versatile Conformation and Cavity Structures Regulated by the Bridging Elements","Journal of Organic Chemistry","2010","75","","3786","3796","10.1021/jo100571c","","","0.71073","MoKα","","0.098","0.0565","","","0.1526","0.1738","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025473","9.74","0.0015","9.753","0.0014","31.78","0.004","90","","90","","90","","3018.9","0.7","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.0818","0.0587","","","0.1816","0.2201","","","","","","1.079","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025474","7.863","0.006","13.811","0.009","14.249","0.009","90","","90","","90","","1547.4","1.8","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.0386","0.0294","","","0.0657","0.0702","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025475","10.158","0.009","16.049","0.013","11.66","0.004","90","","114.66","0.04","90","","1728","2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C34 H62 N2 O6 -","- C34 H62 N2 O6 -","- C68 H124 N4 O12 -","2","1","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.1621","0.0736","","","0.1732","0.2087","","","","","","0.935","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025476","7.2356","0.0009","8.6888","0.001","12.3053","0.0015","70.908","0.002","79.266","0.002","84.473","0.002","717.75","0.15","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H12 O3 -","- C21 H12 O3 -","- C42 H24 O6 -","2","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0581","0.0503","","","0.1297","0.1356","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025477","12.014","0.003","8.101","0.002","16.536","0.004","90","","110.458","0.004","90","","1507.9","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0938","0.0613","","","0.1512","0.1709","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025478","11.4683","0.0016","9.2237","0.0013","40.205","0.006","90","","90","","90","","4252.9","1.1","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H18 O4 -","- C28 H18 O4 -","- C224 H144 O32 -","8","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0962","0.057","","","0.1125","0.128","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025479","9.3174","0.0013","18.788","0.003","11.7533","0.0017","90","","92.464","0.002","90","","2055.6","0.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O4 -","- C28 H18 O4 -","- C112 H72 O16 -","4","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0773","0.0554","","","0.1426","0.1584","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025480","9.0408","0.0014","11.148","0.0018","11.3313","0.0018","108.94","0.002","102.277","0.002","91.844","0.002","1049.2","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C56 H40 O8 -","2","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0774","0.0599","","","0.151","0.1647","","","","","","1.022","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025481","11.72","0.002","16.457","0.003","8.8734","0.0017","90","","108.757","0.002","90","","1620.6","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0692","0.0538","","","0.1263","0.134","","","","","","1.083","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025482","9.9315","0.0011","14.2636","0.0015","21.545","0.002","90","","90.258","0.001","90","","3052","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","2","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0679","0.0491","","","0.1138","0.1241","","","","","","1.02","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025483","9.1974","0.0005","12.9246","0.0004","21.2362","0.001","90","","98.322","0.0019","90","","2497.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F12 N2 O3 S -","- C22 H14 F12 N2 O3 S -","- C88 H56 F48 N8 O12 S4 -","4","1","","Ali Rostami; Alexis Colin; Xiao Yu Li; Michael G. Chudzinski; Alan J. Lough; Mark S. Taylor","N,N'-Diarylsquaramides: General, High-Yielding Synthesis and Applications in Colorimetric Anion Sensing","Journal of Organic Chemistry","2010","75","","3983","3992","10.1021/jo100104g","","","0.71073","MoKα","","0.1114","0.0565","","","0.1397","0.1737","","","","","","1.039","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025484","4.9867","0.0005","18.6517","0.0015","13.546","0.0012","90","","97.4","0.004","90","","1249.4","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O4 S2 -","- C24 H32 N2 O4 S2 -","- C48 H64 N4 O8 S4 -","2","1","","Ali Rostami; Alexis Colin; Xiao Yu Li; Michael G. Chudzinski; Alan J. Lough; Mark S. Taylor","N,N'-Diarylsquaramides: General, High-Yielding Synthesis and Applications in Colorimetric Anion Sensing","Journal of Organic Chemistry","2010","75","","3983","3992","10.1021/jo100104g","","","0.71073","MoKα","","0.1474","0.0627","","","0.1299","0.1695","","","","","","1.013","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025485","9.753","0.0005","10.7244","0.0004","12.2426","0.0006","90","","112.171","0.004","90","","1185.84","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Co N2 -","- C15 H13 Co N2 -","- C60 H52 Co4 N8 -","4","1","","Marko Hapke; Karolin Kral; Christine Fischer; Anke Spannenberg; Andrey Gutnov; Dmitry Redkin; Barbara Heller","Asymmetric Synthesis of Axially Chiral 1-Aryl-5,6,7,8-tetrahydroquinolines by Cobalt-Catalyzed [2 + 2 + 2] Cycloaddition Reaction of 1-Aryl-1,7-octadiynes and Nitriles","Journal of Organic Chemistry","2010","75","","3993","4003","10.1021/jo100122d","","","0.71073","MoKα","","0.0327","0.025","","","0.0635","0.0654","","","","","","1.032","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025486","9.3452","0.0015","22.046","0.003","12.0229","0.0016","90","","102.148","0.009","90","","2421.5","0.6","90","0.5","90","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N5 -","- C33 H23 N5 -","- C132 H92 N20 -","4","1","","Laura Anderson; Mingzhou Zhou; Vasudha Sharma; Jillian M. McLaughlin; Daniel N. Santiago; Frank R. Fronczek; Wayne C. Guida; Mark L. McLaughlin","Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics","Journal of Organic Chemistry","2010","75","","4288","4291","10.1021/jo100272d","","","0.71073","MoKα","","0.076","0.047","","","0.099","0.11","","","","","","1.068","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025487","12.3478","0.0009","12.9571","0.0009","17.9538","0.0011","105.256","0.005","92.264","0.005","91.059","0.005","2767.8","0.3","90","0.5","90","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C33 H31 N7 -","- C33 H31 N7 -","- C132 H124 N28 -","4","2","","Laura Anderson; Mingzhou Zhou; Vasudha Sharma; Jillian M. McLaughlin; Daniel N. Santiago; Frank R. Fronczek; Wayne C. Guida; Mark L. McLaughlin","Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics","Journal of Organic Chemistry","2010","75","","4288","4291","10.1021/jo100272d","","","1.54178","CuKα","","0.043","0.037","","","0.093","0.097","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025488","13.7601","0.0006","14.4788","0.0005","16.27","0.0007","98.308","0.002","92.409","0.002","98.66","0.002","3164.1","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H56 F12 N12 O3 P2 Ru -","- C55 H56 F12 N12 O3 P2 Ru -","- C110 H112 F24 N24 O6 P4 Ru2 -","2","1","","Bobby Happ; Daniel Escudero; Martin D. Hager; Christian Friebe; Andreas Winter; Helmar Görls; Esra Altuntaş; Leticia González; Ulrich S. Schubert","N-Heterocyclic Donor- and Acceptor-Type Ligands Based on 2-(1H-[1,2,3]Triazol-4-yl)pyridines and Their Ruthenium(II) Complexes","Journal of Organic Chemistry","2010","75","","4025","4038","10.1021/jo100286r","","","0.71073","MoKα","","0.1779","0.0893","","","0.2247","0.2681","","","","","","1.047","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4025489","16.1087","0.0002","17.1285","0.0003","24.1506","0.0004","90","","90","","90","","6663.58","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N5 O12 S -","- C34 H29 N5 O12 S -","- C272 H232 N40 O96 S8 -","8","2","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Unusual Aryl Migration in a Mesomeric Betaine in the Solid and Liquid State: Mechanistic Insights into the SNAr Reaction","Journal of Organic Chemistry","2010","75","","4300","4303","10.1021/jo100350t","","","0.71073","MoKα","","0.1049","0.067","","","0.1073","0.1219","","","","","","1.114","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025490","16.992","0.0018","10.2389","0.0011","24.0163","0.0018","90","","123.714","0.005","90","","3475.6","0.6","185","2","185","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C67 H8 -","- C67 H8 -","- C268 H32 -","4","1","","Wei-Wei Yang; Zong-Jun Li; Xiang Gao","Reaction of C602- with Organic Halides Revisited in DMF: Proton Transfer from Water to RC60- and Unexpected Formation of 1,2-Dihydro[60]fullerenes","Journal of Organic Chemistry","2010","75","","4086","4094","10.1021/jo100430a","","","0.71073","MoKα","","0.1282","0.0744","","","0.1917","0.2144","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025491","9.34192","0.00018","18.5967","0.0004","19.3112","0.0004","90","","90","","90","","3354.91","0.12","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H51 N O4 -","- C35 H51 N O4 -","- C140 H204 N4 O16 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0498","","","","0.1564","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025492","10.71305","0.00019","10.9563","0.0002","28.0088","0.0005","90","","90","","90","","3287.54","0.1","295.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H51 N O4 -","- C35 H51 N O4 -","- C140 H204 N4 O16 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0598","","","","0.147","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025493","29.1468","0.0005","8.29097","0.00015","15.9705","0.0003","90","","111.328","0.0007","90","","3595.05","0.11","299.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H51 N O6 -","- C36 H51 N O6 -","- C144 H204 N4 O24 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0427","","","","0.1169","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025494","9.6799","0.0002","18.7383","0.0003","22.5187","0.0004","90","","90","","90","","4084.55","0.13","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 N O8 -","- C40 H63 N O8 -","- C160 H252 N4 O32 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0511","","","","0.1507","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025495","6.79","0.014","20.97","0.05","35.56","0.09","90","","90","","90","","5063","2","173.1","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","","","- C32 H24 N2 -","- C32 H26 N2 O -","- C256 H208 N16 O8 -","8","0.5","","Masahiro Yoshimura; Toshimitsu Muraoka; Hiroshi Nakatsuka; Hanmin Huang; Masato Kitamura","Synthesis of 3,3'-Diaryl-Substituted 2,2'-Diamino-1,1'-binaphthyl and Its Derivatives","Journal of Organic Chemistry","2010","75","","4315","4318","10.1021/jo100638j","","","0.7107","MoKα","","","0.079","","","","0.062","","","","","","5.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025496","5.7403","0.0007","14.5577","0.0016","10.3708","0.0011","90","","101.304","0.002","90","","849.83","0.17","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C40 H52 O8 -","2","1","","Soumitra Maity; Kiran Matcha; Subrata Ghosh","Synthetic Studies on Schisandra nortriterpenoids. Stereocontrolled Synthesis of Enantiopure C-5-epiABC Ring Systems of Micrandilactone A and Lancifodilactone G Using RCM","Journal of Organic Chemistry","2010","75","","4192","4200","10.1021/jo1006448","","","0.71073","MoKα","","0.0364","0.0332","","","0.0791","0.0811","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025497","18.25","0.003","5.7487","0.001","18.732","0.003","90","","106.099","0.004","90","","1888.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 Br O3 -","- C20 H20 Br O3 -","- C80 H80 Br4 O12 -","4","1","","Soumitra Maity; Kiran Matcha; Subrata Ghosh","Synthetic Studies on Schisandra nortriterpenoids. Stereocontrolled Synthesis of Enantiopure C-5-epiABC Ring Systems of Micrandilactone A and Lancifodilactone G Using RCM","Journal of Organic Chemistry","2010","75","","4192","4200","10.1021/jo1006448","","","0.71073","MoKα","","0.0909","0.0601","","","0.1566","0.1691","","","","","","1.027","","","","has coordinates,has disorder","178433","2020-10-21","18:00:00",""
"4025498","8.631","0.0017","13.985","0.003","12.831","0.003","90","","104.59","0.03","90","","1498.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Chunhui Jiang; Min Xu; Shaozhong Wang; Huaqin Wang; Zhu-Jun Yao","Azaanthraquinone Assembly fromN-Propargylamino Quinone via a Au(I)-Catalyzed 6-endo-digCycloisomerization","Journal of Organic Chemistry","2010","75","","4323","4325","10.1021/jo1006637","","","0.71073","MoKα","","0.0916","0.0572","","","0.137","0.171","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025499","8.564","0.0001","11.1587","0.0001","20.5325","0.0003","90","","97.09","0.001","90","","1947.15","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","1","","Rahman Shah Zaib Saleem; Jetze J. Tepe","Synthesis of 1,2,4-Triazolines and Triazoles Utilizing Oxazolones","Journal of Organic Chemistry","2010","75","","4330","4332","10.1021/jo100716m","","x-ray","0.71073","MoKα","","0.0612","0.0421","","","0.0959","0.1042","","","","","","1.063","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025500","7.9733","0.0001","12.4346","0.0002","8.8892","0.0001","90","","111.143","0.001","90","","821.99","0.02","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 -","- C9 H9 N3 -","- C36 H36 N12 -","4","1","","Rahman Shah Zaib Saleem; Jetze J. Tepe","Synthesis of 1,2,4-Triazolines and Triazoles Utilizing Oxazolones","Journal of Organic Chemistry","2010","75","","4330","4332","10.1021/jo100716m","","x-ray","1.54178","CuKα","","0.0396","0.0363","","","0.0998","0.1015","","","","","","1.669","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025501","7.521","0.01","9.936","0.012","18.87","0.02","90","","90","","90","","1410","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Yongquan Sun; Binxun Yu; Xiaolei Wang; Shibing Tang; Xuegong She; Xinfu Pan","Stereoselective Syntheses of Four Diastereomers of 3,9,12-Trihydroxycalamenene via a Benzobicyclo[3.3.1] Intermediate","Journal of Organic Chemistry","2010","75","","4224","4229","10.1021/jo1008349","","","0.71073","MoKα","","0.075","0.0432","","","0.0724","0.079","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025502","30.216","0.005","10.1336","0.0014","20.831","0.003","90","","123.41","0.006","90","","5324.4","1.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 N O3 P -","- C33 H28 N O3 P -","- C264 H224 N8 O24 P8 -","8","1","","Daniel J. St-Cyr; Marie S. T. Morin; Francine Bélanger-Gariépy; Bruce A. Arndtsen; Elizabeth H. Krenske; K. N. Houk","Phospha-Münchnones: Electronic Structures and 1,3-Dipolar Cycloadditions","Journal of Organic Chemistry","2010","75","","4261","4273","10.1021/jo1008383","","","1.54178","CuKα","","0.13","0.0606","","","0.1319","0.1692","","","","","","1.013","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025503","9.8196","0.0003","17.4712","0.0006","14.7758","0.0006","90","","96.005","0.002","90","","2521.03","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N O P -","- C33 H28 N O P -","- C132 H112 N4 O4 P4 -","4","1","","Daniel J. St-Cyr; Marie S. T. Morin; Francine Bélanger-Gariépy; Bruce A. Arndtsen; Elizabeth H. Krenske; K. N. Houk","Phospha-Münchnones: Electronic Structures and 1,3-Dipolar Cycloadditions","Journal of Organic Chemistry","2010","75","","4261","4273","10.1021/jo1008383","","","1.54178","CuKα","","0.0392","0.0345","","","0.0963","0.0992","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025504","13.8477","0.0007","8.6798","0.0006","15.4329","0.0008","90","","115.609","0.007","90","","1672.74","0.19","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Paresh Nath Chatterjee; Sujit Roy","Propargylic Activation Across a Heterobimetallic Ir-Sn Catalyst: Nucleophilic Substitution and Indene Formation with Propargylic Alcohols","Journal of Organic Chemistry","2010","75","","4413","4423","10.1021/jo100189z","","","0.71073","MoKα","","0.0386","0.0307","","","0.0819","0.084","","","","","","1.074","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025505","8.737","0.0008","19.4216","0.0018","10.0734","0.001","90","","114.92","0.002","90","","1550.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O6 -","- C34 H38 O6 -","- C68 H76 O12 -","2","0.5","","Paresh Nath Chatterjee; Sujit Roy","Propargylic Activation Across a Heterobimetallic Ir-Sn Catalyst: Nucleophilic Substitution and Indene Formation with Propargylic Alcohols","Journal of Organic Chemistry","2010","75","","4413","4423","10.1021/jo100189z","","","0.71073","MoKα","","0.0866","0.0547","","","0.1343","0.1533","","","","","","0.999","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4025506","10.924","","10.007","","20.702","","90","","102.35","","90","","2210.7","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C96 H108 N4 O20 S4 -","4","1","","Milan Bera; Sujit Roy","Silver(I)-Diene Complexes as Versatile Catalysts for the C-Arylation of N-Tosylaziridines: Mechanistic Insight from In Situ Diagnostics","Journal of Organic Chemistry","2010","75","","4402","4412","10.1021/jo100260k","","","0.71073","MoKα","","0.1737","0.0655","","","0.1295","0.1645","","","","","","0.977","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025507","14.5758","0.0003","9.37699","0.00017","28.4197","0.0009","90","","101.251","0.003","90","","3809.67","0.16","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","","Joanna M. Swarbrick; Piers R. J. Gaffney","Synthesis of 4-C-Alkyl Inositol 1,4,5-Trisphosphates and 1,3,4,5-Tetrakisphosphates","Journal of Organic Chemistry","2010","75","","4376","4386","10.1021/jo100414e","","","1.54184","CuKα","","0.1869","0.1157","","","0.3357","0.3561","","","","","","1.022","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025508","7.245","0.0004","10.7383","0.0007","11.5383","0.0006","90","","98.399","0.006","90","","888.04","0.09","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.069","0.0557","","","0.1571","0.161","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025509","10.8387","0.0007","13.4389","0.0006","17.5331","0.0009","90","","101.608","0.005","90","","2501.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.0756","0.0338","","","0.059","0.0635","","","","","","0.794","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025510","10.3238","0.0005","15.5018","0.0007","16.2068","0.0008","91.145","0.004","100.369","0.004","96.303","0.004","2533.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","2","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.0795","0.0392","","","0.0757","0.0819","","","","","","0.845","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025511","14.6807","0.0003","9.972","0.00013","15.8925","0.0004","90","","113.381","0.003","90","","2135.55","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H53 N3 O4 Si -","- C45 H53 N3 O4 Si -","- C90 H106 N6 O8 Si2 -","2","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","1.54184","CuKα","","0.0553","0.0471","","","0.1261","0.1317","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025512","10.3512","0.0005","13.8355","0.0006","32.124","0.0016","90","","97.07","0.004","90","","4565.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N4 O6 Si -","- C52 H54 N4 O6 Si -","- C208 H216 N16 O24 Si4 -","4","1","","Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall","Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles","Journal of Organic Chemistry","2010","75","","4604","4607","10.1021/jo100416c","","","0.71073","MoKα","","0.0796","0.0499","","","0.1165","0.1228","","","","","","1.039","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025513","11.119","0.005","5.023","0.002","14.212","0.007","90","","93.008","0.01","90","","792.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O S -","- C14 H18 Br N O S -","- C28 H36 Br2 N2 O2 S2 -","2","1","","Qing-Long Xu; Wen-Bo Liu; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Enantioselective Allylic Substitution of O-Allyl Carbamothioates","Journal of Organic Chemistry","2010","75","","4615","4618","10.1021/jo1006152","","","0.71073","MoKα","","0.1169","0.0677","","","0.1771","0.2149","","","","","","0.846","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025514","10.915","0.002","8.91","0.0018","23.635","0.005","90","","90","","90","","2298.6","0.8","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H21 N O6 -","- C9 H21 N O6 -","- C72 H168 N8 O48 -","8","1","","Yuanping Jie; Peter Livant; Hui Li; Minmin Yang; Wei Zhu; Vince Cammarata; Philip Almond; Tyler Sullens; Yu Qin; Eric Bakker","An Acyclic Trialkylamine Virtually Planar at Nitrogen. Some Chemical Consequences of Nitrogen Planarity","Journal of Organic Chemistry","2010","75","","4472","4479","10.1021/jo100628v","","","0.71073","MoKα","","0.0378","0.0361","","","0.1009","0.1032","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025515","6.8927","0.0004","8.2335","0.0005","11.2422","0.0007","92.285","0.001","102.847","0.001","91.282","0.001","621.22","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H22 Cl N O6 -","- C9 H22 Cl N O6 -","- C18 H44 Cl2 N2 O12 -","2","1","","Yuanping Jie; Peter Livant; Hui Li; Minmin Yang; Wei Zhu; Vince Cammarata; Philip Almond; Tyler Sullens; Yu Qin; Eric Bakker","An Acyclic Trialkylamine Virtually Planar at Nitrogen. Some Chemical Consequences of Nitrogen Planarity","Journal of Organic Chemistry","2010","75","","4472","4479","10.1021/jo100628v","","","0.71073","MoKα","","0.0313","0.0297","","","0.0831","0.0842","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025516","7.746","0.003","8.817","0.003","32.078","0.003","90","","90","","90","","2190.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 Si -","- C22 H25 N3 O4 Si -","- C88 H100 N12 O16 Si4 -","4","1","","Raudra T. Dey; Tarun K. Sarkar","On the [3 + 2] Annulation of Cyclic Allylsilanes with N-Phenyltriazolinedione: An Enantio- and Diastereoselective Synthesis of cis-1,3-Diaminocyclitols","Journal of Organic Chemistry","2010","75","","4521","4529","10.1021/jo100724w","","","0.71073","MoKα","","0.07","0.0452","","","0.1121","0.1258","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025517","6.7601","0.0006","14.6016","0.0013","20.2612","0.0018","90","","93.512","0.003","90","","1996.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O3 Si -","- C21 H23 N3 O3 Si -","- C84 H92 N12 O12 Si4 -","4","1","","Raudra T. Dey; Tarun K. Sarkar","On the [3 + 2] Annulation of Cyclic Allylsilanes with N-Phenyltriazolinedione: An Enantio- and Diastereoselective Synthesis of cis-1,3-Diaminocyclitols","Journal of Organic Chemistry","2010","75","","4521","4529","10.1021/jo100724w","","","0.71073","MoKα","","0.1403","0.0729","","","0.1373","0.16","","","","","","1.056","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025518","6.984","0.005","28.198","0.005","10.424","0.005","90","0.005","92.444","0.005","90","0.005","2051","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 Si -","- C22 H25 N3 O3 Si -","- C88 H100 N12 O12 Si4 -","4","1","","Raudra T. Dey; Tarun K. Sarkar","On the [3 + 2] Annulation of Cyclic Allylsilanes with N-Phenyltriazolinedione: An Enantio- and Diastereoselective Synthesis of cis-1,3-Diaminocyclitols","Journal of Organic Chemistry","2010","75","","4521","4529","10.1021/jo100724w","","","0.71073","MoKα","","0.2088","0.1092","","","0.2936","0.344","","","","","","1.061","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025519","15.0742","0.0003","20.5227","0.0004","16.5372","0.0003","90","","105.975","0.0007","90","","4918.43","0.16","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C82 H38 O8 -","- C82 H38 O8 -","- C328 H152 O32 -","4","1","","Ken Kokubo; Riyah S. Arastoo; Takumi Oshima; Chun-Chih Wang; Yuan Gao; Hsing-Lin Wang; Hao Geng; Long Y. Chiang","Synthesis and Regiochemistry of [60]Fullerenyl 2-Methylmalonate Bisadducts and their Facile Electron-Accepting Properties","Journal of Organic Chemistry","2010","75","","4574","4583","10.1021/jo1007674","","","1.54187","CuKα","","0.0734","0.0688","","","0.1585","0.1607","","","","","","1.112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025520","5.89032","0.00015","18.6263","0.0005","8.9648","0.0002","90","","93.673","0.003","90","","981.55","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N O2 -","- C23 H22 N O2 -","- C46 H44 N2 O4 -","2","1","","Bangben Yao; Yuhong Zhang; Yong Li","Copper-Catalyzed Coupling Reaction of C-OMe Bonds Adjacent to a Nitrogen Atom with Terminal Alkynes","Journal of Organic Chemistry","2010","75","","4554","4561","10.1021/jo1007898","","","1.54184","CuKα","","0.0412","0.0346","","","0.0934","0.0982","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025521","7.8193","0.0004","8.5267","0.0005","17.8337","0.0011","80.866","0.0015","87.4443","0.0018","71.5581","0.0014","1113.64","0.11","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Bangben Yao; Yuhong Zhang; Yong Li","Copper-Catalyzed Coupling Reaction of C-OMe Bonds Adjacent to a Nitrogen Atom with Terminal Alkynes","Journal of Organic Chemistry","2010","75","","4554","4561","10.1021/jo1007898","","","0.71073","MoKα","","0.127","0.0479","","","0.0988","0.1539","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025522","18.907","0.007","13.564","0.005","27.919","0.01","90","","103.79","0.004","90","","6954","4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H46 N O12 -","- C83 H46 N O12 -","- C332 H184 N4 O48 -","4","1","","Dazhi Yang; Lijun Shi; Huan Huang; Jianxin Zhang; Liangbing Gan","Synthesis and Reactivity of 2H-Pyran Moiety in [60]Fullerene Cage Skeleton","Journal of Organic Chemistry","2010","75","","4567","4573","10.1021/jo100799x","","","0.71073","MoKα","","0.1112","0.0795","","","0.2032","0.2218","","","","","","1.026","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025523","5.5094","0.0008","8.0322","0.0012","34.254","0.005","90","","90","","90","","1515.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","","Christopher D. Bray; Giorgio de Faveri","Stereocontrolled Synthesis of trans-Cyclopropyl Sulfones from Terminal Epoxides","Journal of Organic Chemistry","2010","75","","4652","4655","10.1021/jo100844g","","","0.71073","MoKα","","0.1181","0.0883","","","0.1719","0.1899","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025524","7.5377","0.0003","11.3446","0.0004","14.749","0.0004","90","","90","","90","","1261.22","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Christopher D. Bray; Giorgio de Faveri","Stereocontrolled Synthesis of trans-Cyclopropyl Sulfones from Terminal Epoxides","Journal of Organic Chemistry","2010","75","","4652","4655","10.1021/jo100844g","","","0.71073","MoKα","","0.0407","0.0366","","","0.0862","0.0881","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025525","30.054","0.009","8.076","0.003","16.13","0.005","90","","109.472","0.01","90","","3691","2","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 O Si -","- C21 H23 O Si -","- C168 H184 O8 Si8 -","8","2","","Ryota Wakabayashi; Daishi Fujino; Sayuri Hayashi; Hideki Yorimitsu; Koichiro Oshima","Palladium-Catalyzed Allylation of Aryl Halides with Homoallyl Alcohols Bearing a Trisubstituted Double Bond: Application to Chirality Transfer from Hydroxylated Carbon to Benzylic One","Journal of Organic Chemistry","2010","75","","4337","4343","10.1021/jo100857d","","","0.71075","MoKα","","0.1073","0.048","","","0.1149","0.17","","","","","","1.153","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025526","10.009","0.004","15.153","0.006","17.54","0.006","90","","90","","90","","2660.2","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 N4 O3 -","- C33 H26 N4 O3 -","- C132 H104 N16 O12 -","4","1","","Jean-Charles Marié; Yuan Xiong; Geanna K. Min; Adam R. Yeager; Tohru Taniguchi; Nina Berova; Scott E. Schaus; John A. Porco","Enantioselective Synthesis of 3,4-Chromanediones via Asymmetric Rearrangement of 3-Allyloxyflavones","Journal of Organic Chemistry","2010","75","","4584","4590","10.1021/jo100889c","","","0.71073","MoKα","","0.0567","0.0456","","","0.116","0.1232","","","","","","1.018","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025527","10.8724","0.0012","16.065","0.0019","16.651","0.002","114.37","0.003","93.653","0.003","103.86","0.003","2528.3","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 Br N5 O2 -","- C29 H22 Br N5 O2 -","- C116 H88 Br4 N20 O8 -","4","2","","Lang Liu; Xiangyun Xie; Dianzeng Jia; Jixi Guo; Xiaolin Xie","Synthesis and Properties of a Novel Photochromic Compound with Modulated Fluorescence in the Solid State","Journal of Organic Chemistry","2010","75","","4742","4747","10.1021/jo100372z","","","0.71073","MoKα","","0.1448","0.0747","","","0.1827","0.2335","","","","","","0.972","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025528","15.366","0.0015","14.7671","0.0013","19.0611","0.0019","90","","98.59","0.002","90","","4276.7","0.7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Br N5 O2 -","- C24 H20 Br N5 O2 -","- C192 H160 Br8 N40 O16 -","8","1","","Lang Liu; Xiangyun Xie; Dianzeng Jia; Jixi Guo; Xiaolin Xie","Synthesis and Properties of a Novel Photochromic Compound with Modulated Fluorescence in the Solid State","Journal of Organic Chemistry","2010","75","","4742","4747","10.1021/jo100372z","","","0.71073","MoKα","","0.1125","0.0717","","","0.1802","0.2133","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025529","11.9154","0.0005","11.9676","0.0009","12.0603","0.0005","97.082","0.001","118.641","0.001","102.756","0.001","1418.38","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 N4 O -","- C35 H40 N4 O -","- C70 H80 N8 O2 -","2","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin","1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching","Journal of Organic Chemistry","2010","75","","4706","4715","10.1021/jo100384s","","","0.71073","MoKα","","0.0643","0.0446","","","0.0834","0.0915","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025530","9.9285","0.0017","10.4828","0.0017","13.09","0.002","93.652","0.003","110.835","0.003","94.013","0.004","1264.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H36 N4 O -","- C29 H36 N4 O -","- C58 H72 N8 O2 -","2","2","","Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin","1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching","Journal of Organic Chemistry","2010","75","","4706","4715","10.1021/jo100384s","","","0.71073","MoKα","","0.1176","0.0913","","","0.1778","0.1924","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025531","10.1061","0.0013","10.5773","0.0013","13.1305","0.0015","94.175","0.003","110.183","0.003","93.582","0.003","1308.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 N4 O -","- C29 H36 N4 O -","- C58 H72 N8 O2 -","2","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Valery A. Ozeryanskii; Oksana V. Ryabtsova; Zoya A. Starikova; Gennadii S. Borodkin","1,8,1',8'-Tetrakis(dimethylamino)-2,2'-dinaphthylmethanols: Double In/Out Proton Sponges with Low-Barrier Hydrogen-Bond Switching","Journal of Organic Chemistry","2010","75","","4706","4715","10.1021/jo100384s","","","0.71073","MoKα","","0.1401","0.0522","","","0.1088","0.1233","","","","","","1.083","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025532","9.637","0.003","42.948","0.013","9.514","0.003","90","","90","","90","","3938","2","189","2","189","2","","","","","","","","4","P n m a","-P 2ac 2n","62","C6 O16 S6 (H2O)3.5 (H3O)2","","","- C6 H13 O21.5 S6 -","- C6 O21.5 S6 -","- C48 O172 S48 -","8","1","","Evgeny M. Garanin; Yuriy V. Tolmachev; Robert R. Hoover; Sonya Adas; Scott D. Bunge; Mahinda Gangoda; Anatoly K. Khitrin; Stephan M. Woods; Andrey Malkovskiy; Nulifer Solak; Chrys Wesdemiotis","Stability and Ring-Shift Tautomerization of Cyclic Anhydrides of Benzenehexasulfonic Acid","Journal of Organic Chemistry","2010","75","","4860","4863","10.1021/jo1005526","","","0.71073","MoKα","","0.108","0.0602","","","0.1581","0.1915","","","","","","1.119","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025533","7.7657","0.0007","15.5387","0.0014","11.2639","0.001","90","","109.592","0.001","90","","1280.5","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitroxide","piperidine-1-oxyl-4-methylene acetic acid methyl ester","","- C12 H20 N O3 -","- C12 H20 N O3 -","- C48 H80 N4 O12 -","4","1","","Scott R. Burks; Mallory A. Makowsky; Zachary A. Yaffe; Chad Hoggle; Pei Tsai; Sukumaran Muralidharan; Michael K. Bowman; Joseph P.Y. Kao; Gerald M. Rosen","The Effect of Structure on Nitroxide EPR Spectral Linewidth","Journal of Organic Chemistry","2010","75","","4737","4741","10.1021/jo1005747","","","0.71073","MoKα","","0.0579","0.0488","","","0.0938","0.097","","","","","","1","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025534","13.444","0.005","13.533","0.005","12.456","0.004","90","","116.587","0.006","90","","2026.6","1.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N14 -","- C40 H48 N14 -","- C80 H96 N28 -","2","0.5","","Naisa Chandrasekhar; Rajadurai Chandrasekar","""Click-Fluors"": Synthesis of a Family of π-Conjugated Fluorescent Back-to-Back Coupled 2,6-Bis(triazol-1-yl)pyridines and Their Self-Assembly Studies","Journal of Organic Chemistry","2010","75","","4852","4855","10.1021/jo100598q","","","0.71073","MoKα","","0.3022","0.1254","","","0.2486","0.3309","","","","","","1.061","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025535","19.8269","0.001","16.4147","0.0008","38.2255","0.0018","90","","95.2161","0.0005","90","","12389.1","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CBX","CBX","","- C99 H74 F42 N16 O48 -","- C82 H66 F18 N16 O32 -","- C328 H264 F72 N64 O128 -","4","1","","Da Ma; Peter Y. Zavalij; Lyle Isaacs","Acyclic Cucurbit[n]uril Congeners Are High Affinity Hosts","Journal of Organic Chemistry","2010","75","","4786","4795","10.1021/jo100760g","","","0.71073","MoKα","","0.0653","0.0539","","","0.112","0.1159","","","","","","1","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025536","16.1139","0.0008","18.5996","0.0009","22.6067","0.0011","110.667","0.0006","93.2447","0.0007","101.53","0.0007","6151.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CB-diammonium complex","CB-diammonium complex","","- C96 H90 F27 N18 O40 -","- C78 H76 N18 O21 -","- C156 H152 N36 O42 -","2","1","","Da Ma; Peter Y. Zavalij; Lyle Isaacs","Acyclic Cucurbit[n]uril Congeners Are High Affinity Hosts","Journal of Organic Chemistry","2010","75","","4786","4795","10.1021/jo100760g","","","0.71073","MoKα","","0.0988","0.0828","","","0.1735","0.1786","","","","","","1","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025537","27.448","0.003","23.608","0.003","19.66","0.002","90","","121.614","0.0014","90","","10849","2","250","2","250","2","","","","","","","","5","C 1 c 1","C -2yc","9","Ph2CB4@tetra-ammonium","Ph2CB4@tetra-ammonium","","- C82 H93 F33 N20 O44 -","- C82 H87 F33 N20 O44 -","- C328 H348 F132 N80 O176 -","4","1","","Da Ma; Peter Y. Zavalij; Lyle Isaacs","Acyclic Cucurbit[n]uril Congeners Are High Affinity Hosts","Journal of Organic Chemistry","2010","75","","4786","4795","10.1021/jo100760g","","","0.71073","MoKα","","0.0478","0.0412","","","0.0771","0.0796","","","","","","1","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025538","37.348","0.008","8.973","0.002","23.854","0.005","90","","127.48","0.03","90","","6344","3","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C208 H384 N32 O48 -","16","2","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.1106","0.0579","","","0.1385","0.1526","","","","","","0.945","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025539","8.869","0.002","12.673","0.003","18.561","0.005","90","","90","","90","","2086.2","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 N3 O5 -","- C17 H31 N3 O5 -","- C68 H124 N12 O20 -","4","1","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.0501","0.0385","","","0.1027","0.11","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025540","9.2","0.0019","9.2","0.003","64.15","0.02","90","0.03","90","0.03","90","0.02","5430","3","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C22 H40 N4 O7 -","- C22 H40 N4 O7 -","- C176 H320 N32 O56 -","8","1","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.4539","0.0856","","","0.2856","0.4376","","","","","","0.96","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025541","10.1401","0.0011","13.6843","0.0015","7.3008","0.0008","90","","95.328","0.002","90","","1008.68","0.19","223.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","H. M. Dhammika Bandara; Tracey R. Friss; Miriam M. Enriquez; William Isley; Christopher Incarvito; Harry A. Frank; Jose Gascon; Shawn C. Burdette","Proof for the Concerted Inversion Mechanism in the trans →cis Isomerization of Azobenzene Using Hydrogen Bonding To Induce Isomer Locking","Journal of Organic Chemistry","2010","75","","4817","4827","10.1021/jo100866m","","","0.71075","MoKα","","","0.049","","","","0.1294","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025542","9.2978","0.0018","19.381","0.004","10.0507","0.0019","90","","110.099","0.004","90","","1700.8","0.6","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","","Pei Nian Liu; Li Dang; Qing Wei Wang; Shu Lei Zhao; Fei Xia; Yu Jie Ren; Xue Qing Gong; Jun Qin Chen","Perchloric Acid Catalyzed Homogeneous and Heterogeneous Addition of β-Dicarbonyl Compounds to Alcohols and Alkenes and Investigation of the Mechanism","Journal of Organic Chemistry","2010","75","","5017","5030","10.1021/jo100517k","","","0.71073","MoKα","","0.2296","0.0869","","","0.2161","0.2763","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025543","11.2845","0.0007","25.4016","0.0016","18.7306","0.0012","90","","105.858","0.001","90","","5164.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N P2 -","- C32 H25 N P2 -","- C256 H200 N8 P16 -","8","2","","Raju Ghosh; N. N. Adarsh; Amitabha Sarkar","A Novel, Air-Stable Phosphine Ligand for the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction of Chloro Arenes","Journal of Organic Chemistry","2010","75","","5320","5322","10.1021/jo100643j","","","0.71073","MoKα","","0.0595","0.0469","","","0.1374","0.1495","","","","","","1.068","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025544","9.989","0.005","15.244","0.008","10.041","0.005","90","","112.051","0.006","90","","1417.1","1.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H25 Cl2 N P2 Pd -","- C32 Cl2 N P2 Pd -","- C64 Cl4 N2 P4 Pd2 -","2","1","","Raju Ghosh; N. N. Adarsh; Amitabha Sarkar","A Novel, Air-Stable Phosphine Ligand for the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction of Chloro Arenes","Journal of Organic Chemistry","2010","75","","5320","5322","10.1021/jo100643j","","","0.71073","MoKα","","0.1113","0.1064","","","0.2856","0.2897","","","","","","1.063","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025545","6.719","0.002","8.809","0.003","21.195","0.007","90","","90","","90","","1254.5","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Guowei Wang; Jinfeng Zhao; Yuhan Zhou; Baomin Wang; Jingping Qu","Mild and Highly Enantioselective Vinylogous Aldol Reaction of Brassard's Diene with Aromatic Aldehydes by Combined Lewis Acid Catalyst","Journal of Organic Chemistry","2010","75","","5326","5329","10.1021/jo100674f","","","0.71073","MoKα","","0.0346","0.0249","","","0.0545","0.057","","","","","","0.986","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025546","7.2714","0.0016","18.978","0.003","25.506","0.003","90","","90","","90","","3519.7","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Ivan A. Yaremenko; Vladimir V. Chernyshev; Gennady I. Nikishin","Synthesis of Asymmetric Peroxides: Transition Metal (Cu, Fe, Mn, Co) Catalyzed Peroxidation of β-Dicarbonyl Compounds with tert-Butyl Hydroperoxide","Journal of Organic Chemistry","2010","75","","5065","5071","10.1021/jo100793j","","x-ray","1.54184","CuKα","","0.0968","0.0702","","","0.1921","0.216","","","","","","1.057","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025547","12.904","0.003","15.674","0.003","17.2","0.003","71.34","0.03","68.18","0.03","82.06","0.03","3059.1","1.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H142 Cl4 F12 N4 O20 P2 -","- C126 H142 Cl4 F12 N4 O20 P2 -","- C126 H142 Cl4 F12 N4 O20 P2 -","1","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","0.71073","MoKα","","0.1348","0.1122","","","0.336","0.3632","","","","","","1.396","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025548","11.658","0.0011","14.2365","0.0014","18.3424","0.0019","75.379","0.007","77.397","0.007","68.116","0.006","2707.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H136 F12 N6 O20 P2 -","- C112 H136 F12 N6 O20 P2 -","- C112 H136 F12 N6 O20 P2 -","1","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","1.54186","CuKα","","0.1147","0.0722","","","0.164","0.198","","","","","","1.066","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025549","21.7455","0.0008","19.1533","0.0008","25.0365","0.0011","90","","90","","90","","10427.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H104 Ba2 Cl4 N4 O36 -","- C84 H104 Ba2 Cl4 N4 O36 -","- C336 H416 Ba8 Cl16 N16 O144 -","4","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","0.71073","MoKα","","0.0952","0.0818","","","0.2298","0.2395","","","","","","1.168","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025550","7.8308","0.0015","11.013","0.002","25.536","0.005","90","","90","","90","","2202.2","0.7","228","2","228","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C80 H112 N16 O16 -","4","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0743","0.0557","","","0.1539","0.1769","","","","","","1.043","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025551","18.5535","0.0005","10.3706","0.0003","11.6952","0.0003","90","","110.934","0.001","90","","2101.75","0.1","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H25 Cl3 N2 O5 -","- C17 H25 Cl3 N2 O5 -","- C68 H100 Cl12 N8 O20 -","4","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0574","0.0417","","","0.1076","0.1171","","","","","","1.039","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025552","10.7061","0.0004","6.0645","0.0002","14.7816","0.0006","90","","104.232","0.002","90","","930.27","0.06","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O5 -","- C17 H28 N2 O5 -","- C34 H56 N4 O10 -","2","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0447","0.035","","","0.0707","0.0744","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025553","7.6123","0.0003","32.1258","0.0014","10.738","0.0005","90","","106.951","0.002","90","","2511.9","0.19","228","2","228","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N3 O7 -","- C23 H31 N3 O7 -","- C92 H124 N12 O28 -","4","2","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0673","0.0403","","","0.0852","0.0963","","","","","","1.009","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025554","9.641","0.001","16.342","0.003","12.793","0.001","90","","93.38","0.01","90","","2012.1","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(N-benzyl-Npropanoyl)amino-13-methylene-5-oxo -2,3,5,6,12,13-hexahydro-1H-benzo[d]pyrrolo[1,2-a]azepine","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Renata Riva; Luca Banfi; Andrea Basso; Valentina Cerulli; Giuseppe Guanti; Marcella Pani","A Highly Convergent Synthesis of Tricyclic N-Heterocycles Coupling an Ugi Reaction with a Tandem SN2'-Heck Double Cyclization","Journal of Organic Chemistry","2010","75","","5134","5143","10.1021/jo100859y","","","0.71073","MoKα","","0.1685","0.0623","","","0.1109","0.1341","","","","","","0.914","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4025555","6.08","0.002","11.792","0.005","15.073","0.006","90","","90","","90","","1080.7","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 F N2 O -","- C11 H17 F N2 O -","- C44 H68 F4 N8 O4 -","4","1","","Alexander D. Dilman; Pavel A. Belyakov; Marina I. Struchkova; Dmitry E. Arkhipov; Alexander A. Korlyukov; Vladimir A. Tartakovsky","Fluorocyanation of Enamines","Journal of Organic Chemistry","2010","75","","5367","5370","10.1021/jo1008993","","","0.71073","MoKα","","0.0532","0.0443","","","0.0867","0.0892","","","","","","1.008","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025556","7.5776","0.0012","10.1746","0.0016","12.161","0.002","99.615","0.002","91.836","0.002","96.734","0.002","916.8","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","(R*)-5-((R*)-1-(tert-Butyldimethylsilyloxy)-2,2-dimethylcyclohexyl) furan-2(5H)-one","","- C18 H32 O3 Si -","- C18 H32 O3 Si -","- C36 H64 O6 Si2 -","2","1","","Hikaru Yanai; Yasuhiro Yoshino; Arata Takahashi; Takeo Taguchi","Carbon Acid Induced Mukaiyama Aldol Type Reaction of Sterically Hindered Ketones","Journal of Organic Chemistry","2010","75","","5375","5378","10.1021/jo100915e","","","0.71073","MoKα","","0.0442","0.0356","","","0.09","0.0952","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025557","7.8568","0.0009","9.3124","0.001","12.7551","0.0014","95.564","0.001","92.993","0.001","99.913","0.001","912.71","0.17","90","","90","","","","","","","","","5","P -1","-P 1","2","","(R*)-5-((3R*,4R*)-4-(tert-butyldimethylsilyloxy)- 3-methyltetrahydro-2H-thiopyran-4-yl)furan-2(5H)-one","","- C16 H28 O3 S Si -","- C16 H28 O3 S Si -","- C32 H56 O6 S2 Si2 -","2","1","","Hikaru Yanai; Yasuhiro Yoshino; Arata Takahashi; Takeo Taguchi","Carbon Acid Induced Mukaiyama Aldol Type Reaction of Sterically Hindered Ketones","Journal of Organic Chemistry","2010","75","","5375","5378","10.1021/jo100915e","","","0.71073","MoKα","","0.0423","0.0348","","","0.0871","0.0906","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025558","16.1308","0.0013","8.9024","0.0007","14.1885","0.0011","90","","110.177","0.001","90","","1912.5","0.3","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(S*)-4-Bromo-5-((1R*,2S*)-1-(tert-butyldimethylsilyloxy)- 2-methylcyclohexyl)furan-2(5H)-one","","- C17 H29 Br O3 Si -","- C17 H29 Br O3 Si -","- C68 H116 Br4 O12 Si4 -","4","1","","Hikaru Yanai; Yasuhiro Yoshino; Arata Takahashi; Takeo Taguchi","Carbon Acid Induced Mukaiyama Aldol Type Reaction of Sterically Hindered Ketones","Journal of Organic Chemistry","2010","75","","5375","5378","10.1021/jo100915e","","","0.71073","MoKα","","0.0358","0.03","","","0.0788","0.0817","","","","","","1.035","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025559","11.2466","0.0008","11.9082","0.0009","14.2975","0.001","90","","90","","90","","1914.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0424","0.0356","","","0.0816","0.0861","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025560","15.36","0.005","8.016","0.003","16.894","0.006","90","","115.123","0.005","90","","1883.3","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O4 S -","- C18 H23 N3 O4 S -","- C72 H92 N12 O16 S4 -","4","2","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0932","0.0685","","","0.1541","0.1678","","","","","","1.005","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025561","8.254","0.003","7.65","0.003","25.887","0.009","90","","98.059","0.007","90","","1618.4","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0603","0.0455","","","0.1088","0.1189","","","","","","1.045","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025562","9.3648","0.001","10.0518","0.0011","18.751","0.002","90","","90","","90","","1765.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0618","0.0436","","","0.0799","0.0876","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025563","21.383","0.003","11.0697","0.0017","19.56","0.003","90","","90","","90","","4629.9","1.2","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-Leu-Leu-Aib-D-Leu-D-Leu-Aib-OMe","","- C38 H70 N6 O9 -","- C38 H70 N6 O9 -","- C152 H280 N24 O36 -","4","1","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.0606","0.0527","","","0.1488","0.1562","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025564","9.3911","0.0019","21.278","0.004","11.662","0.002","90","","99.125","0.003","90","","2300.9","0.7","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-Leu-D-Leu-Aib-Leu-D-Leu-OMe","","- C38 H70 N6 O9 -","- C38 H70 N6 O9 -","- C76 H140 N12 O18 -","2","1","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.0642","0.0507","","","0.1365","0.1447","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025565","12.545","0.003","14.913","0.003","15.33","0.003","77.622","0.003","66.601","0.003","78.839","0.003","2552.1","0.9","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-D-Leu-Aib-D-Leu-Leu-Aib-OMe, MeCN","","- C40 H73 N7 O9 -","- C40 H73 N7 O9 -","- C80 H146 N14 O18 -","2","2","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.095","0.0775","","","0.1905","0.1971","","","","","","0.99","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025566","21.7182","0.0005","9.3588","0.0002","22.1212","0.0005","90","","112.81","0.02","90","","4144.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (3RS,13bSR)-3-phenyl- 3,13b-dihydrodibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-1,2-dicarboxylate","","- C26 H21 N O5 -","- C26 H21 N O5 -","- C208 H168 N8 O40 -","8","2","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","","0.71073","Mo-Kα","","0.1198","0.0625","","","0.1404","0.1573","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025567","9.1111","0.0002","10.071","0.0002","13.8379","0.0003","87.634","0.01","70.984","0.01","68.372","0.01","1111.43","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,13bSR)-3-(2-bromophenyl)-3,13b-dihydrodibenzo[b,f]pyrrolo [1,2-d][1,4]oxazepine-1,2-dicarboxylate (11b)","","- C26 H20 Br N O5 -","- C26 H20 Br N O5 -","- C52 H40 Br2 N2 O10 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.0378","0.0306","","","0.077","0.0806","","","","","","1.059","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025568","9.8566","0.0006","18.5178","0.0008","11.5398","0.0006","90","","90.67","0.02","90","","2106.13","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl 3-(2-bromophenyl)dibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-1,2-dicarboxylate","","- C26 H18 Br N O5 -","- C26 H18 Br N O5 -","- C104 H72 Br4 N4 O20 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.1081","0.0479","","","0.1001","0.1108","","","","","","0.94","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025569","11.8716","0.0005","15.0615","0.0006","10.6577","0.0004","90","","97.23","0.02","90","","1890.49","0.16","120","","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (3RS,13bRS)-2-methyl-3-phenyl-3,13b-dihydrodibenzo[b,f] pyrrolo[1,2-d][1,4]oxazepine-1-carboxylate","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MOKα","K-L~3~","0.1542","0.0568","","","0.1069","0.131","","","","","","0.994","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025570","9.2576","0.0002","11.0167","0.0002","11.0998","0.0002","115.75","0.02","113.51","0.02","94.86","0.02","888.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methyl (3RS,13bRS)-3-phenyl-3,13b-dihydrodibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-2-carboxylate","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.0654","0.0517","","","0.147","0.1555","","","","","","1.006","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025571","8.8961","0.0002","10.4555","0.0003","13.7527","0.0004","108.927","0.01","98.385","0.01","107.894","0.01","1107.84","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methyl (3RS,13bRS)-1,3-phenyl-3,13b-dihydrodibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-2-carboxylate","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.0468","","","0.1327","0.1442","","","","","","1.05","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025572","9.4926","0.0004","9.8488","0.0004","10.979","0.0005","99.202","0.01","109.385","0.01","92.414","0.01","950.78","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-methyl-3-phenyldibenzo[b,f]pyrrolo[1,2-d] [1,4]oxazepine-1-carboxylate","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Alexander S. Konev; Dmitrii S. Yufit; Stanislav I. Selivanov; Holm Frauendorf","Stereoselective Cycloaddition of Dibenzoxazepinium Ylides to Acetylenes and Fullerene C60. Conformational Behavior of 3-Aryldibenzo[b,f]pyrrolo[1,2-d][1,4]oxazepine Systems","Journal of Organic Chemistry","2010","75","","5211","5215","10.1021/jo100966j","","x-ray","0.71073","MoKα","K-L~3~","0.0703","0.0467","","","0.119","0.1299","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025573","8.2972","0.0009","10.0287","0.0008","14.2944","0.0013","90.0544","0.0016","104.466","0.005","108.744","0.003","1086.36","0.18","123.1","","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C50 H52 O12 -","2","1","","Shoko Yamazaki; Yuko Yamamoto; Yugo Fukushima; Masachika Takebayashi; Tetsuma Ukai; Yuji Mikata","Lewis Acid Promoted Reactions of Ethenetricarboxylates with Allenes: Synthesis of Indenes and γ-Lactones via Conjugate Addition/Cyclization Reaction","Journal of Organic Chemistry","2010","75","","5216","5222","10.1021/jo1009855","","","0.7107","MoKα","","","0.0394","","","","0.1047","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025574","8.3225","0.0004","12.0278","0.0006","11.0525","0.0005","90","","95.075","0.002","90","","1102.03","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-[(20S)-3β-Hydroxy-20,21-epithiopregn-5-en-17β-yl] dimethylcarbamate","","- C24 H37 N O3 S -","- C24 H37 N O3 S -","- C48 H74 N2 O6 S2 -","2","1","","Przemysław Kalicki; Michał Karchier; Karol Michalak; Jerzy Wicha","Rearrangement of 2,3-Epoxy Alcohol Dimethylthiocarbamate Derivatives. Synthesis of 2,3-Epithio Alcohol Derivatives under Mild Conditions","Journal of Organic Chemistry","2010","75","","5388","5391","10.1021/jo101000u","","","1.54178","CuKα","","0.0583","0.0581","","","0.1396","0.1401","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025575","5.9928","0.0002","12.2646","0.0005","33.1829","0.0014","90","","90","","90","","2438.92","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-[(20S)-17α,20-Epoxy-3β-(methoxymethoxy)pregn-5-en-16β-yl] dimethylthiocarbamate","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C104 H164 N4 O16 S4 -","4","1","","Przemysław Kalicki; Michał Karchier; Karol Michalak; Jerzy Wicha","Rearrangement of 2,3-Epoxy Alcohol Dimethylthiocarbamate Derivatives. Synthesis of 2,3-Epithio Alcohol Derivatives under Mild Conditions","Journal of Organic Chemistry","2010","75","","5388","5391","10.1021/jo101000u","","","1.54178","CuKα","","0.049","0.0436","","","0.1049","0.1079","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025576","6.254","0.0003","10.8365","0.0006","35.4475","0.0019","90","","90","","90","","2402.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H Br2 O5 -","- C25 H26 Br2 O5 -","- C100 H104 Br8 O20 -","4","1","","Xiaolei Wang; Jie Zheng; Qiang Chen; Huaiji Zheng; Yongping He; Juan Yang; Xuegong She","Biomimetic Total Synthesis of (+)-Chabranol","Journal of Organic Chemistry","2010","75","","5392","5394","10.1021/jo101016g","","","0.71073","MoKα","","0.1198","0.0441","","","0.0996","0.1372","","","","","","0.823","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025577","16.7482","0.0006","6.0229","0.0002","27.9916","0.0008","90","","96.619","0.002","90","","2804.77","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N2 O2 S -","- C35 H34 N2 O2 S -","- C140 H136 N8 O8 S4 -","4","1","","Mitchell H. Weston; Masood Parvez; Thomas G. Back","Conjugate Additions, Aza-Cope, and Dissociative Rearrangements and Unexpected Electrocyclic Ring Closures in the Reactions of 2-(2-Pyrrolidinyl)-Substituted Heteroaromatic Systems with Acetylenic Sulfones","Journal of Organic Chemistry","2010","75","","5402","5405","10.1021/jo101030b","","","0.71073","MoKα","","0.1359","0.0824","","","0.1359","0.1663","","","","","","1.126","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025578","10.1","0.002","13.853","0.004","15.004","0.004","66.058","0.011","70.468","0.014","70.373","0.013","1758.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 N2 O4 S2 -","- C41 H40 N2 O4 S2 -","- C82 H80 N4 O8 S4 -","2","1","","Mitchell H. Weston; Masood Parvez; Thomas G. Back","Conjugate Additions, Aza-Cope, and Dissociative Rearrangements and Unexpected Electrocyclic Ring Closures in the Reactions of 2-(2-Pyrrolidinyl)-Substituted Heteroaromatic Systems with Acetylenic Sulfones","Journal of Organic Chemistry","2010","75","","5402","5405","10.1021/jo101030b","","","0.71073","MoKα","","0.0671","0.0445","","","0.1024","0.1152","","","","","","1.02","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025579","16.015","0.003","5.4583","0.0009","25.143","0.005","90","","99.848","0.002","90","","2165.5","0.7","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Anthony W. Hill; Mark R. J. Elsegood; Marc C. Kimber","An Intermolecular Hydroamination of Allenamides with Arylamines Catalyzed by Cationic Au(I) Salts","Journal of Organic Chemistry","2010","75","","5406","5409","10.1021/jo101035n","","","0.71073","MoKα","","0.0596","0.0428","","","0.1109","0.1211","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025580","12.787","0.005","7.464","0.003","23.799","0.01","90","","90","","90","","2271.4","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Yu-Ming Zhao; Peiming Gu; Yong-Qiang Tu; Hai-Jun Zhang; Qing-Wei Zhang; Chun-An Fan","One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN3: Rapid Access to Polycyclic Alkaloids","Journal of Organic Chemistry","2010","75","","5289","5295","10.1021/jo101226r","","","0.71073","MoKα","","0.0627","0.0415","","","0.092","0.1015","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025581","13.632","0.002","6.6388","0.001","14.072","0.002","90","","95.006","0.008","90","","1268.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Yu-Ming Zhao; Peiming Gu; Yong-Qiang Tu; Hai-Jun Zhang; Qing-Wei Zhang; Chun-An Fan","One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN3: Rapid Access to Polycyclic Alkaloids","Journal of Organic Chemistry","2010","75","","5289","5295","10.1021/jo101226r","","","0.71073","MoKα","","0.0538","0.0425","","","0.1405","0.1643","","","","","","0.665","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025582","18.1117","0.0011","18.1117","0.0011","18.1117","0.0011","90","","90","","90","","5941.2","0.6","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C30 H39 N4 O3 P -","- C30 H39 N4 O3 P -","- C240 H312 N32 O24 P8 -","8","0.666667","","Steven M. Raders; John G. Verkade","An Electron-Rich Proazaphosphatrane for Isocyanate Trimerization to Isocyanurates","Journal of Organic Chemistry","2010","75","","5308","5311","10.1021/jo9023396","","","0.71073","MoKα","","0.0646","0.0428","","","0.1047","0.1236","","","","","","1.113","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025583","9.201","0.004","7.605","0.003","12.505","0.005","90","","110.476","0.005","90","","819.7","0.6","146","2","146","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N O4 P -","- C15 H24 N O4 P -","- C30 H48 N2 O8 P2 -","2","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71073","MoKα","","0.0596","0.0524","","","0.1344","0.139","","","","","","1.028","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025584","10.985","0.005","11.889","0.008","12.965","0.006","101.319","0.005","105.017","0.006","113.361","0.007","1413.4","1.3","146","2","146","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H40 N O8 P S Si -","- C22 H40 N O8 P S Si -","- C44 H80 N2 O16 P2 S2 Si2 -","2","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71073","MoKα","","0.0987","0.0566","","","0.1017","0.1137","","","","","","1.078","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025585","8.856","0.003","10.318","0.004","16.067","0.006","85.22","0.02","87.06","0.02","81.34","0.02","1445.2","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H42 N O8 P S Si -","- C22 H42 N O8 P S Si -","- C44 H84 N2 O16 P2 S2 Si2 -","2","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71069","MoKα","","0.0517","0.047","","","0.1266","0.1308","","","","","","1.078","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4025586","14.526","0.001","8.159","0.003","15.267","0.007","90","","94.955","0.004","90","","1802.6","1.1","146","2","146","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 N O8 P -","- C13 H26 N O8 P -","- C52 H104 N4 O32 P4 -","4","1","","Jean-Christophe Monbaliu; Bernard Tinant; Jacqueline Marchand-Brynaert","[4 + 2] Cycloadditions of 1-Phosphono-1,3-butadienes with Nitroso Heterodienophiles: A Versatile Synthetic Route for Polyfunctionalized Aminophosphonic Derivatives","Journal of Organic Chemistry","2010","75","","5478","5486","10.1021/jo100230r","","","0.71073","MoKα","","0.0801","0.0385","","","0.0855","0.0967","","","","","","0.912","","","","has coordinates,has disorder","288183","2023-12-08","14:42:53",""
"4025587","5.17","0.003","29.506","0.017","8.522","0.005","90","","100.04","0.01","90","","1280.1","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Amino thiirane","N1-[(2R*,3R*)-3-methylthiiran-2-yl]methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S2 -","- C11 H15 N O2 S2 -","- C44 H60 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0687","0.0551","","","0.1279","0.1339","","","","","","1.191","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025588","12.47","0.007","7.347","0.004","15.965","0.009","90","","112.404","0.009","90","","1352.3","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","cyclic aminodisulfide","N1-[(3R*,4S*)-3-methyl-1,2-dithiolan-4-yl] methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S3 -","- C11 H15 N O2 S3 -","- C44 H60 N4 O8 S12 -","4","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0654","0.0539","","","0.1401","0.1458","","","","","","1.092","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025589","12.005","0.008","25.176","0.016","10.735","0.007","90","","113.314","0.009","90","","2980","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dithia-bicyclo[3.2.1]octane","N-((1R*,5S*,8r)-6,7-dithiabicyclo[3.2.1]octan-8-yl)-4-methylbenzenesulfonamide","","- C13 H17 N O2 S3 -","- C13 H17 N O2 S3 -","- C104 H136 N8 O16 S24 -","8","2","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0611","0.049","","","0.1248","0.1308","","","","","","1.033","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025590","7.5303","0.0019","8.964","0.002","11.913","0.003","77.985","0.004","75.571","0.004","88.78","0.004","761.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","thia-bicylo[3.2.1]heptan","4-methyl-N-((1S*,5R*,7S*)-1-methyl-6-thiabicyclo[3.1.1]heptan-7-yl) benzenesulfonamide","","- C14 H19 N O2 S2 -","- C14 H19 N O2 S2 -","- C28 H38 N2 O4 S4 -","2","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.103","0.0842","","","0.2247","0.2388","","","","","","1.03","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025591","7.238","0.004","10.304","0.005","10.95","0.006","109.161","0.008","102.369","0.008","94.459","0.009","743.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","cyclic-disulfide","(S*)-N-(3,3-dimethyl-1,2-dithiolan-4-yl)-4-methylbenzenesulfonamide","","- C12 H17 N O2 S3 -","- C12 H17 N O2 S3 -","- C24 H34 N2 O4 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran","Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement","Journal of Organic Chemistry","2010","75","","5533","5541","10.1021/jo100640w","","","0.71073","MoKα","","0.0558","0.0491","","","0.1435","0.1505","","","","","","1.036","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025592","6.149","0.003","9.052","0.003","30.88","0.02","90","","90","","90","","1718.8","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S,5S,2E)-1-Cyclohexyl-7-phenylhept-2-ene-1,5-diol","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","1.54178","CuKα","","0.1678","0.0928","","","0.2004","0.2463","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025593","9.958","0.002","17.593","0.004","18.858","0.004","90","","90","","90","","3303.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3S,4S,4'R,5'R)-4-[4',5'-Bis(methoxydiphenylmethyl)-1',3',2'-dioxaborolan-2'-yl]-2-methylhex-5-en-3-ol","","","- C37 H41 B O5 -","- C37 H41 B O5 -","- C148 H164 B4 O20 -","4","1","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","0.71073","MoKα","","0.0824","0.0552","","","0.1161","0.1268","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025594","11.1451","0.0011","11.2829","0.001","11.9726","0.0016","85.201","0.011","76.936","0.011","90","0.012","1461.2","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","(1R,5R)-1,5-diphenylpentane-1,5-diol","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","4","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","1.54178","CuKα","","0.2343","0.1079","","","0.2119","0.2872","","","","","","1.053","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025595","8.469","0.0013","20.25","0.003","12.0908","0.0017","90","","93.078","0.003","90","","2070.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 N2 O4 Ru2 -","- C48 H48 N2 O4 Ru2 -","- C96 H96 N4 O8 Ru4 -","2","0.5","","Youngshil Do; In-Chul Hwang; Mahn-Joo Kim; Jaiwook Park","Photoactivated Racemization Catalyst for Dynamic Kinetic Resolution of Secondary Alcohols","Journal of Organic Chemistry","2010","75","","5740","5742","10.1021/jo1009036","","","0.71073","MoKα","","0.0355","0.0279","","","0.0706","0.0744","","","","","","1.025","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025596","14.554","0.005","18.044","0.007","7.886","0.002","90","","104.18","0.03","90","","2007.9","1.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O8 -","- C25 H14 O8 -","- C100 H56 O32 -","4","1","","Kana Watanabe; Yusuke Iwata; Satoshi Adachi; Tomoyuki Nishikawa; Yuko Yoshida; Shunsuke Kameda; Mitsuaki Ide; Yoko Saikawa; Masaya Nakata","Synthetic Studies on Lactonamycins: Synthesis of the Model BCDEF Aglycon","Journal of Organic Chemistry","2010","75","","5573","5579","10.1021/jo100913s","","","0.71073","MoKα","","","0.044","","","","0.144","","","","","","0.942","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4025597","15.526","0.0009","5.2293","0.0003","20.0132","0.0012","90","","110.908","0.003","90","","1517.88","0.16","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","Ambruticin triformate","","","- C31 H44 O8 -","- C31 H44 O8 -","- C62 H88 O16 -","2","1","","Stephen Hanessian; Thilo Focken; Xueling Mi; Rupal Oza; Bin Chen; Dougal Ritson; Renaud Beaudegnies","Total Synthesis of (+)-Ambruticin S: Probing the Pharmacophoric Subunit","Journal of Organic Chemistry","2010","75","","5601","5618","10.1021/jo100956v","","","1.54178","CuKα","","0.0635","0.0485","","","0.1179","0.1239","","","","","","0.921","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025598","10.4645","0.0004","9.8531","0.0003","11.5532","0.0005","90","","115.814","0.002","90","","1072.36","0.07","170","","170","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","(1S, 2S, 3R)-tert-Butyl 2-formyl-3-methylcyclopropanecarboxylate","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Stephen Hanessian; Thilo Focken; Xueling Mi; Rupal Oza; Bin Chen; Dougal Ritson; Renaud Beaudegnies","Total Synthesis of (+)-Ambruticin S: Probing the Pharmacophoric Subunit","Journal of Organic Chemistry","2010","75","","5601","5618","10.1021/jo100956v","","","1.54178","CuKα","","0.0384","0.0374","","","0.0941","0.0957","","","","","","1.078","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025599","10.3057","0.0005","10.3148","0.0005","14.5675","0.0007","107.39","0.001","91.596","0.001","90.607","0.001","1476.9","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H80 B2 F8 Li2 N16 O4 -","- C56 H80 B2 F8 Li2 N16 O4 -","- C56 H80 B2 F8 Li2 N16 O4 -","1","0.5","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0543","0.042","","","0.1031","0.1095","","","","","","1.046","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025600","14.2251","0.0007","15.9467","0.0007","16.5472","0.0008","90.932","0.001","93.84","0.001","103.55","0.001","3639","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H102 N16 O6 -","- C74 H102 N16 O6 -","- C148 H204 N32 O12 -","2","1","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0824","0.0632","","","0.162","0.179","","","","","","1.053","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025601","25.3621","0.0014","16.7341","0.0009","18.5947","0.001","90","","90","","90","","7891.8","0.7","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C34 H40 D18 N8 O5 S3 -","- C34 H40 D18 N8 O5 S3 -","- C272 H320 D144 N64 O40 S24 -","8","","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0406","0.0372","","","0.0915","0.0943","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025602","11.7784","0.0008","22.356","0.0015","27.7304","0.0019","90","","99.299","0.001","90","","7206","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N8 O3 -","- C28 H41 N8 O3 -","- C224 H328 N64 O24 -","8","2","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0634","0.0453","","","0.1185","0.1254","","","","","","0.933","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025603","10.96","0.0004","13.0521","0.0005","17.2061","0.0006","98.316","0.001","101.925","0.001","90.848","0.001","2380.37","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.24 H62.48 Cl2.48 N12 O3 -","- C43.2367 H62.4734 Cl2.4734 N12 O3 -","- C86.4734 H124.947 Cl4.9468 N24 O6 -","2","1","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0922","0.0546","","","0.1287","0.1451","","","","","","0.938","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025604","9.0435","0.0005","10.8574","0.0006","17.0752","0.001","79.582","0.001","87.561","0.001","72.068","0.001","1568.7","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H82 Cl6 N16 O4 -","- C58 H82 Cl6 N16 O4 -","- C58 H82 Cl6 N16 O4 -","1","0.5","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.093","0.0443","","","0.0616","0.0725","","","","","","0.798","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025605","14.4465","0.0006","15.4789","0.0006","19.1776","0.0007","78.228","0.001","69.194","0.001","84.717","0.001","3923.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H210 Cl6 N32 Na6 O52 -","- C117 H204 Cl6 N32 Na6 O52 -","- C117 H204 Cl6 N32 Na6 O52 -","1","0.5","","Kinkini Roy; Chun Wang; Mark D. Smith; Perry J. Pellechia; Linda S. Shimizu","Alkali Metal Ions As Probes of Structure and Recognition Properties of Macrocyclic Pyridyl Urea Hosts","Journal of Organic Chemistry","2010","75","","5453","5460","10.1021/jo1009596","","","0.71073","MoKα","","0.0613","0.0525","","","0.1474","0.154","","","","","","1.046","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025606","10.0868","0.0008","15.8235","0.0013","12.3174","0.001","90","","99.131","0.001","90","","1941","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O5 S -","- C20 H18 N O5 S -","- C80 H72 N4 O20 S4 -","4","1","","Yongjia Shang; Kai Ju; Xinwei He; Jinsong Hu; Shuyan Yu; Min Zhang; Kaisheng Liao; Lifen Wang; Ping Zhang","Copper-Catalyzed Multicomponent Reaction: Synthesis of 4-Arylsulfonylimino-4,5-dihydrofuran Derivatives","Journal of Organic Chemistry","2010","75","","5743","5745","10.1021/jo1010075","","","0.71073","MoKα","","0.0726","0.0501","","","0.1473","0.1668","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025607","9.1655","0.0016","12.387","0.002","13.582","0.003","76.687","0.003","77.515","0.004","85.659","0.003","1464.5","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H10 I2 -","- C16 H10 I2 -","- C64 H40 I8 -","4","2","","Ke-Gong Ji; Hai-Tao Zhu; Fang Yang; Ali Shaukat; Xiao-Feng Xia; Yan-Fang Yang; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Five- and Six-Membered Dihalogenated Heterocyclic Compounds by Electrophile-Triggered Cyclization","Journal of Organic Chemistry","2010","75","","5670","5678","10.1021/jo101085f","","","0.71073","MoKα","","0.0619","0.0462","","","0.116","0.1266","","","","","","1.012","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025608","8.392","0.004","18.882","0.009","12.334","0.006","90","","101.513","0.006","90","","1915.1","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br I N O3 S -","- C18 H17 Br I N O3 S -","- C72 H68 Br4 I4 N4 O12 S4 -","4","1","","Ke-Gong Ji; Hai-Tao Zhu; Fang Yang; Ali Shaukat; Xiao-Feng Xia; Yan-Fang Yang; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Five- and Six-Membered Dihalogenated Heterocyclic Compounds by Electrophile-Triggered Cyclization","Journal of Organic Chemistry","2010","75","","5670","5678","10.1021/jo101085f","","","0.71073","MoKα","","0.0611","0.0348","","","0.0806","0.0903","","","","","","1.043","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025609","8.2332","0.0003","11.5989","0.0004","23.8708","0.0009","90","","90","","90","","2279.57","0.14","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O2 Si -","- C23 H33 N O2 Si -","- C92 H132 N4 O8 Si4 -","4","1","","Thérèse Hémery; Robert Huenerbein; Roland Fröhlich; Stefan Grimme; Dieter Hoppe","Configurationally Labile Enantioenriched Lithiated 3-Arylprop-2-enyl Carbamates: Joint Experimental and Quantum Chemical Investigations on the Equilibrium of Epimers","Journal of Organic Chemistry","2010","75","","5716","5720","10.1021/jo101218z","","","1.54178","CuKα","","0.0398","0.0385","","","0.1024","0.1041","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025610","8.6584","0.0007","10.3926","0.0008","12.331","0.001","79.838","0.001","84.145","0.002","72.619","0.001","1040.87","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 F6 N Sb -","- C23 H18 F6 N Sb -","- C46 H36 F12 N2 Sb2 -","2","1","","Fang Liu; Xiao Ding; Lei Zhang; Yu Zhou; Linxiang Zhao; Hualiang Jiang; Hong Liu","Silver- and Gold-Mediated Intramolecular Cyclization to Substituted Tetracyclic Isoquinolizinium Hexafluorostilbates","Journal of Organic Chemistry","2010","75","","5810","5820","10.1021/jo1006174","","","0.71073","MoKα","","0.0422","0.0363","","","0.0801","0.0825","","","","","","1.009","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025611","10.648","0.003","10.193","0.004","13.876","0.003","90","","97.8","0.019","90","","1492.1","0.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C27 H32 Cl N2 O12 P -","- C27 H32 Cl N2 O12 P -","- C54 H64 Cl2 N4 O24 P2 -","2","1","","Leticia Quintero; Mario Sánchez-Vazquez; Silvano Cruz-Gregorio; Fernando Sartillo-Piscil","On the Existence of the Chair Conformation in Six-Membered Ring Phosphates Bearing an Aryl Group Axially Oriented at the C4 Position: Cyclic Nucleotides As Model Compounds for Cyclic Phosph(on)ate and Phosphoramide Prodrugs","Journal of Organic Chemistry","2010","75","","5852","5859","10.1021/jo100863n","","x-ray","0.71073","MoKα","","0.1913","0.0516","","","0.1055","0.1511","","","","","","0.873","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025612","6.2542","0.0005","15.983","0.002","10.437","0.001","90","","92.812","0.008","90","","1042.04","0.18","299","","299","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström","Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation","Journal of Organic Chemistry","2010","75","","5882","5887","10.1021/jo100868z","","","0.71073","MoKα","","0.1","0.057","","","0.127","0.151","","","","","","1.02","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025613","35.53","0.005","35.53","0.005","5.4355","0.0007","90","","90","","120","","5942.4","1.4","299","","299","","","","","","","","Local laboratory","4","R -3 :H","-R 3","148","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C198 H216 N36 O54 -","18","1","","Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström","Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation","Journal of Organic Chemistry","2010","75","","5882","5887","10.1021/jo100868z","","","0.71073","MoKα","","0.127","0.095","","","0.251","0.283","","","","","","1.06","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025614","10.626","0.002","5.8228","0.0012","16.673","0.004","90","","104.11","0.02","90","","1000.5","0.4","299","","299","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","1","","Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström","Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation","Journal of Organic Chemistry","2010","75","","5882","5887","10.1021/jo100868z","","","0.71073","MoKα","","0.142","0.055","","","0.093","0.116","","","","","","1.01","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025615","12.9604","0.0004","13.9264","0.0003","20.6986","0.0005","90","","105.49","0.01","90","","3600.2","0.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-fluoro-(2-nitro-3,4,5,6-tetrafluorophenyl)-bis(triphenylphosphino)- palladium(ii)","","- C42 H30 F5 N O2 P2 Pd -","- C42 H30 F5 N O2 P2 Pd -","- C168 H120 F20 N4 O8 P8 Pd4 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","","0.71073","MoKα","","0.0572","0.0447","","","0.1035","0.1095","","","","","","1.051","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025616","7.6907","0.0005","11.4847","0.0008","11.9766","0.0008","90","","92.53","0.02","90","","1056.81","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5-tetrafluoro-6-nitrobiphenyl","","- C12 H5 F4 N O2 -","- C12 H5 F4 N O2 -","- C48 H20 F16 N4 O8 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","","0.71073","Mo-Kα","","0.1236","0.0664","","","0.1702","0.1927","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025617","6.2677","0.0003","9.9095","0.0005","12.429","0.0006","82.398","0.01","85.577","0.01","72.896","0.01","730.74","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,3,4,5-tetrafluoro-6-nitro-[1,1':4',1""-terphenyl]","","- C18 H9 F4 N O2 -","- C18 H9 F4 N O2 -","- C36 H18 F8 N2 O4 -","2","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","","0.71073","MoKα","","0.0695","0.0435","","","0.1365","0.1882","","","","","","1.046","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025618","8.0491","0.0004","9.1029","0.0004","11.7075","0.0005","90","","94.49","0.03","90","","855.18","0.08","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,5-trifluoro-N,N-dimethyl-4-nitroaniline","","- C8 H7 F3 N2 O2 -","- C8 H7 F3 N2 O2 -","- C32 H28 F12 N8 O8 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0866","0.0565","","","0.1224","0.1343","","","","","","1.055","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025619","12.5365","0.0007","7.5063","0.0004","11.0598","0.0006","90","","97.89","0.02","90","","1030.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,4-trifluoro-6-nitrobiphenyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C48 H24 F12 N4 O8 -","4","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0429","0.035","","","0.0996","0.1084","","","","","","1.033","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025620","11.628","0.0002","12.1588","0.0002","14.4292","0.0002","90","","90","","90","","2040.04","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4,5-trifluoro-6-nitrobiphenyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C96 H48 F24 N8 O16 -","8","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0518","0.0414","","","0.1206","0.1302","","","","","","1.08","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025621","8.548","0.0003","19.9436","0.0008","9.6298","0.0004","90","","95.535","0.001","90","","1634.01","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O4 S -","- C13 H25 N O4 S -","- C52 H100 N4 O16 S4 -","4","2","","Bing Wang","Practical Enantiospecific Synthesis of an Orthogonally Protected 1,4-trans-1,5-cis- 4,5-Diamino-2-cyclopenten-1-ol Derivative","Journal of Organic Chemistry","2010","75","","6012","6015","10.1021/jo1009118","","","0.71073","MoKα","","0.0341","0.0322","","","0.0878","0.09","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025622","9.6663","0.0005","8.5121","0.0005","9.8764","0.0006","90","","104.98","0.001","90","","785.02","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O4 S -","- C13 H25 N O4 S -","- C26 H50 N2 O8 S2 -","2","1","","Bing Wang","Practical Enantiospecific Synthesis of an Orthogonally Protected 1,4-trans-1,5-cis- 4,5-Diamino-2-cyclopenten-1-ol Derivative","Journal of Organic Chemistry","2010","75","","6012","6015","10.1021/jo1009118","","","0.71073","MoKα","","0.0443","0.0435","","","0.1036","0.1043","","","","","","1.057","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025623","8.565","0.002","11.287","0.003","15.105","0.004","105.579","0.006","96.849","0.006","91.493","0.006","1394","0.6","273","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","2","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1181","0.0555","","","0.115","0.1286","","","","","","0.917","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025624","6.5804","0.0008","8.36","0.001","19.89","0.002","90","","91.982","0.003","90","","1093.5","0.2","273","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O3 S -","- C11 H12 O3 S -","- C44 H48 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1683","0.0504","","","0.1083","0.1435","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025625","23.883","0.004","12.951","0.002","8.6539","0.0015","90","","94.354","0.004","90","","2669","0.8","273","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C104 H128 O24 S8 -","8","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.093","0.0553","","","0.1484","0.1702","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025626","8.7132","0.0017","5.6561","0.0011","28.874","0.006","90","","91.27","0.03","90","","1422.6","0.5","293","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F O3 S -","- C16 H13 F O3 S -","- C64 H52 F4 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.0968","0.0589","","","0.1556","0.1721","","","","","","1.072","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025627","6.584","0.0013","8.35","0.0017","20.276","0.004","90","","91.51","0.03","90","","1114.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F O3 S -","- C11 H11 F O3 S -","- C44 H44 F4 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1624","0.0577","","","0.1344","0.1736","","","","","","0.98","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025628","6.4511","0.0011","23.992","0.004","8.5589","0.0015","90","","101.452","0.004","90","","1298.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 F O3 S -","- C13 H15 F O3 S -","- C52 H60 F4 O12 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1412","0.0489","","","0.1131","0.15","","","","","","1.012","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025629","17.101","0.002","10.5638","0.0013","8.961","0.0011","90","","106.202","0.003","90","","1554.5","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.0575","0.0479","","","0.1218","0.1289","","","","","","1.034","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025630","6.713","0.0009","8.3292","0.0011","21.452","0.003","90","","94.835","0.003","90","","1195.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C48 H56 O16 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.097","0.078","","","0.1663","0.174","","","","","","1.19","","","","has coordinates,has Fobs","178435","2020-10-21","18:00:00",""
"4025631","12.7","0.0013","12.974","0.0012","8.7134","0.0008","90","","92.571","0.002","90","","1434.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.153","0.0591","","","0.1392","0.1761","","","","","","0.99","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025632","9.733","0.0019","5.6544","0.0011","11.165","0.002","90","","93.49","0.03","90","","613.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C24 H28 O8 S2 -","2","1","","Florenci V. González; Amit Jain; Santiago Rodríguez; José A. Sáez; Cristian Vicent; Gabriel Peris","Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur-Oxygen Interactions As Analyzed by X-ray Crystallography","Journal of Organic Chemistry","2010","75","","5888","5894","10.1021/jo1009454","","","0.71073","MoKα","","0.1279","0.0736","","","0.1683","0.203","","","","","","1.016","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025633","7.3503","0.0015","11.878","0.002","33.132","0.007","90","","90","","90","","2892.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br2 N4 O5 -","- C27 H22 Br2 N4 O5 -","- C108 H88 Br8 N16 O20 -","4","1","","Carrie E. Aroyan; Alpay Dermenci; Scott J. Miller","Development of a Cysteine-Catalyzed Enantioselective Rauhut-Currier Reaction","Journal of Organic Chemistry","2010","75","","5784","5796","10.1021/jo101018t","","","0.71073","MoKα","","0.0891","0.0521","","","0.1252","0.1417","","","","","","1.008","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025634","18.588","0.013","8.804","0.006","22.536","0.016","90","","90","","90","","3688","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl N4 O -","- C22 H15 Cl N4 O -","- C176 H120 Cl8 N32 O8 -","8","1","","Hai-Ming Guo; Pu Li; Hong-Ying Niu; Dong-Chao Wang; Gui-Rong Qu","Direct Synthesis of 6-Arylpurines by Reaction of 6-Chloropurines with Activated Aromatics","Journal of Organic Chemistry","2010","75","","6016","6018","10.1021/jo1010334","","","0.71073","MoKα","","0.0778","0.0494","","","0.1134","0.1316","","","","","","1.025","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025635","10.961","0.006","11.645","0.011","12.217","0.013","112.2","0.04","93.93","0.03","91.2","0.01","1439","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N2 O5 S -","- C31 H35.7 N2 O5 S -","- C62 H71.4 N4 O10 S2 -","2","1","","Nobuko Watanabe; Yusuke Sano; Haruna Suzuki; Masatoshi Tanimura; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Thermally Stable Acylamino-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescent Decomposition","Journal of Organic Chemistry","2010","75","","5920","5926","10.1021/jo101114b","","","0.7107","MoKα","","","0.066","","","","0.213","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025636","9.914","0.012","14.57","0.03","15.83","0.04","105.41","0.05","90.26","0.05","94.46","0.05","2197","8","173.1","","173.1","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H35 N O4 -","- C22 H34.5 N O4 -","- C88 H138 N4 O16 -","4","2","","Nobuko Watanabe; Yusuke Sano; Haruna Suzuki; Masatoshi Tanimura; Hisako K. Ijuin; Masakatsu Matsumoto","Synthesis of Thermally Stable Acylamino-Substituted Bicyclic Dioxetanes and Their Base-Induced Chemiluminescent Decomposition","Journal of Organic Chemistry","2010","75","","5920","5926","10.1021/jo101114b","","","0.7107","MoKα","","","0.078","","","","0.204","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025637","28.657","0.002","11.1553","0.0007","6.0182","0.0005","90","","90","","90","","1923.9","0.2","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.0789","0.0438","","","0.0927","0.1068","","","","","","1.017","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025638","11.603","0.0003","11.3376","0.0003","17.0185","0.0006","90","","91.385","0.002","90","","2238.13","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O3 S -","- C26 H25 N O3 S -","- C104 H100 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1275","0.0864","","","0.2751","0.3167","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025639","28.7069","0.0008","11.1373","0.0003","6.0181","0.0002","90","","90","","90","","1924.09","0.1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Br N O3 S -","- C20 H20 Br N O3 S -","- C80 H80 Br4 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.0417","0.0316","","","0.066","0.0687","","","","","","1.042","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025640","12.7243","0.0007","6.0218","0.0003","26.3225","0.0017","90","","99.333","0.002","90","","1990.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O5 S -","- C20 H20 N2 O5 S -","- C80 H80 N8 O20 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.203","0.0881","","","0.2578","0.3541","","","","","","1.025","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025641","10.5177","0.0002","8.3547","0.0002","26.6108","0.0007","90","","94.834","0.001","90","","2330.03","0.09","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C108 H108 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025642","10.6205","0.0004","15.0939","0.0006","11.2337","0.0005","90","","113.239","0.002","90","","1654.71","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","2","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1551","0.0911","","","0.2247","0.2775","","","","","","1.001","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025643","5.5989","0.0002","8.4736","0.0003","34.6488","0.0013","90","","90","","90","","1643.84","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1649","0.0558","","","0.1463","0.2008","","","","","","0.909","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025644","6.85647","0.00012","14.9418","0.0003","31.6799","0.0007","90","","90","","90","","3245.54","0.11","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 N2 O9 S -","- C35 H40 N2 O9 S -","- C140 H160 N8 O36 S4 -","4","1","","Naoyuki Shimada; Taiki Hanari; Yasunobu Kurosaki; Koji Takeda; Masahiro Anada; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Catalytic Asymmetric Synthesis of theendo-6-Aryl-8-oxabicyclo[3.2.1]oct-3-en-2-one Natural Product fromLigusticum chuanxingvia 1,3-Dipolar Cycloaddition of a Formyl-Derived Carbonyl Ylide Using Rh2(S-TCPTTL)4","Journal of Organic Chemistry","2010","75","","6039","6042","10.1021/jo101175b","","","1.54187","CuKα","","","0.0353","","","","0.0959","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025645","26.5869","0.0012","5.4737","0.0003","14.5005","0.0007","90","","95.769","0.001","90","","2099.55","0.18","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H28 Cl N O2 -","- C24 H28 Cl N O2 -","- C96 H112 Cl4 N4 O8 -","4","1","","Stijn Dekeukeleire; Matthias D'hooghe; Karl Wilhelm Törnroos; Norbert De Kimpe","Stereoselective Synthesis of Chiral 4-(1-Chloroalkyl)-β-Lactams Starting from Amino Acids and Their Transformation into Functionalized Chiral Azetidines and Pyrrolidines","Journal of Organic Chemistry","2010","75","","5934","5940","10.1021/jo101220q","","","0.71073","MoKα","","0.0298","0.0292","","","0.0838","0.0845","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025646","19.6437","0.0009","7.677","0.0004","24.64","0.0011","90","","90","","90","","3715.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C168 H152 N8 O24 S8 -","8","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0851","0.0538","","","0.1452","0.1745","","","","","","1.054","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025647","14.0279","0.0014","6.5441","0.0007","22.361","0.002","90","","91.93","0.002","90","","2051.6","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0946","0.0557","","","0.1499","0.1842","","","","","","1.018","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025648","8.2529","0.0007","11.7634","0.001","19.964","0.0017","90","","91.06","0.001","90","","1937.8","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0626","0.0425","","","0.1156","0.1351","","","","","","1.045","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025649","7.8733","0.0012","9.7887","0.0015","13.227","0.002","97.03","0.002","96.452","0.002","107.614","0.002","952.2","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0453","0.0366","","","0.1015","0.1103","","","","","","1.022","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025650","9.0169","0.0014","11.4036","0.0018","12.0895","0.0019","92.826","0.002","110.953","0.002","102.671","0.002","1121.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C54 H46 N2 O4 S2 -","2","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0897","0.0528","","","0.1473","0.1707","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025651","15.589","0.0009","5.704","0.0003","44.433","0.002","90","","90","","90","","3951","0.4","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C184 H184 N8 O24 S8 -","8","2","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0921","0.0479","","","0.0997","0.118","","","","","","1.007","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025652","44.936","0.003","5.6528","0.0003","15.1617","0.0009","90","","101.718","0.001","90","","3771","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C176 H168 N8 O24 S8 -","8","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0552","0.0402","","","0.1081","0.1209","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025653","9.9889","0.0007","11.4918","0.0008","9.6399","0.0007","90","","90","","90","","1106.57","0.14","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H18 N2 O2 -","- C9 H18 N2 O2 -","- C36 H72 N8 O8 -","4","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.0845","0.0542","","","0.1204","0.1338","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025654","8.1775","0.0006","11.2741","0.0008","11.5261","0.0007","74.86","0.006","71.782","0.006","75.209","0.006","956.7","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.1479","0.0362","","","0.0668","0.0781","","","","","","0.641","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025655","9.9288","0.001","12.6735","0.0013","15.7735","0.0015","90","","90","","90","","1984.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O6 -","- C21 H20 N4 O6 -","- C84 H80 N16 O24 -","4","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.1611","0.037","","","0.0567","0.0672","","","","","","0.625","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025656","15.128","0.003","5.9797","0.0011","19.539","0.004","90","","107.58","0.02","90","","1685","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C64 H84 N12 O20 -","4","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.1583","0.0386","","","0.0647","0.0768","","","","","","0.64","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025657","16.2623","0.001","11.1128","0.001","19.894","0.001","90","","90","","90","","3595.2","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Eric Gayon; Olivier Debleds; Marie Nicouleau; Frederic Lamaty; Arie van der Lee; Emmanuel Vrancken; Jean-Marc Campagne","Highly Diastereoselective Baldwin Rearrangement of Isoxazolines intocis-Acylaziridines","Journal of Organic Chemistry","2010","75","","6050","6053","10.1021/jo101273d","","","0.71073","MoKα","","0.1007","0.0448","","0.0803","0.0522","0.0522","","","","","","0.9605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025658","10.5601","0.0006","13.1228","0.0007","13.8186","0.0008","90","","90","","90","","1914.96","0.19","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Nitin T. Patil; Anil Kumar Mutyala; Pediredla G. V. V. Lakshmi; Balakrishna Gajula; Balasubramanian Sridhar; Gurava Reddy Pottireddygari; Tadikamalla Prabhakar Rao","Au(I)-Catalyzed Cascade Reaction Involving Formal Double Hydroamination of Alkynes Bearing Tethered Carboxylic Groups: An Easy Access to Fused Dihydrobenzimidazoles and Tetrahydroquinazolines","Journal of Organic Chemistry","2010","75","","5963","5975","10.1021/jo1013228","","","0.71073","MoKα","","0.0444","0.0407","","","0.1163","0.1206","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025659","7.2069","0.0005","12.8071","0.0009","11.4143","0.0008","90","","99.088","0.001","90","","1040.31","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Nitin T. Patil; Anil Kumar Mutyala; Pediredla G. V. V. Lakshmi; Balakrishna Gajula; Balasubramanian Sridhar; Gurava Reddy Pottireddygari; Tadikamalla Prabhakar Rao","Au(I)-Catalyzed Cascade Reaction Involving Formal Double Hydroamination of Alkynes Bearing Tethered Carboxylic Groups: An Easy Access to Fused Dihydrobenzimidazoles and Tetrahydroquinazolines","Journal of Organic Chemistry","2010","75","","5963","5975","10.1021/jo1013228","","","0.71073","MoKα","","0.0391","0.0359","","","0.0968","0.0996","","","","","","1.041","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025660","6.5422","0.0004","17.2499","0.001","9.8157","0.0006","90","","100.007","0.001","90","","1090.87","0.11","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 F N2 O -","- C12 H13 F N2 O -","- C48 H52 F4 N8 O4 -","4","1","","Nitin T. Patil; Anil Kumar Mutyala; Pediredla G. V. V. Lakshmi; Balakrishna Gajula; Balasubramanian Sridhar; Gurava Reddy Pottireddygari; Tadikamalla Prabhakar Rao","Au(I)-Catalyzed Cascade Reaction Involving Formal Double Hydroamination of Alkynes Bearing Tethered Carboxylic Groups: An Easy Access to Fused Dihydrobenzimidazoles and Tetrahydroquinazolines","Journal of Organic Chemistry","2010","75","","5963","5975","10.1021/jo1013228","","","0.71073","MoKα","","0.0414","0.0393","","","0.1044","0.1072","","","","","","1.046","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025661","10.00645","0.00018","10.00645","0.00018","13.4991","0.0003","90","","90","","90","","1351.65","0.05","173.1","","","","","","","","","","","4","P 43","P 4cw","78","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0404","","","","0.1002","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025662","10.00744","0.00018","10.00744","0.00018","13.5007","0.0003","90","","90","","90","","1352.08","0.05","123.1","","","","","","","","","","","4","P 41","P 4w","76","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0264","","","","0.0615","","","","","","1.278","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025663","8.8513","0.0003","11.3404","0.0003","14.4414","0.0005","90","","90","","90","","1449.59","0.08","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0344","","","","0.0752","","","","","","0.862","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025664","8.85223","0.00016","11.3388","0.0002","14.4403","0.0003","90","","90","","90","","1449.43","0.05","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0381","","","","0.1091","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025665","8.62372","0.00016","11.6285","0.0002","14.8609","0.0003","90","","90","","90","","1490.26","0.05","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0429","","","","0.0992","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025666","7.1034","0.0002","14.6592","0.0003","13.7707","0.0003","90","","93.5768","0.0007","90","","1431.15","0.06","113.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 S -","- C18 H18 N2 S -","- C72 H72 N8 S4 -","4","1","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.7107","MoKα","","","0.0433","","","","0.1382","","","","","","1.849","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025667","9.288","0.005","14.087","0.007","11.25","0.007","90","","90","","90","","1472","1.4","123.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","0.5","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.7107","MoKα","","","0.0364","","","","0.1049","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025668","21.208","0.004","16.936","0.002","13.147","0.003","90","","90","","90","","4722.1","1.5","123","2","123","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H32 N2 S -","- C30 H32 N2 S -","- C240 H256 N16 S8 -","8","","","Motonori Watanabe; Kenta Goto; Masahiko Shibahara; Teruo Shinmyozu","Synthesis, Structure, and Electronic and Photophysical Properties of Two- and Three-Layered [3.3]Paracyclophane-Based Donor-Acceptor Systems(1)","Journal of Organic Chemistry","2010","75","","6104","6114","10.1021/jo100688m","","","0.71075","MoKα","","0.0735","0.072","","","0.2032","0.2054","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025669","13.1521","0.0019","8.7654","0.0013","9.6224","0.0014","90","","100.693","0.002","90","","1090","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O -","- C14 H11 F O -","- C56 H44 F4 O4 -","4","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","0.71073","Mo-Kα","","0.0534","0.0371","","","0.115","0.1268","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025670","19.7863","0.0003","20.0114","0.0004","23.0268","0.0004","90","","90","","90","","9117.5","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H74 F N13 O P4 -","- C36 H74 F N13 O P4 -","- C288 H592 F8 N104 O8 P32 -","8","2","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","Cu-Kα","","0.0405","0.0377","","","0.0971","0.0989","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025671","31.1042","0.0005","7.9346","0.0001","17.6162","0.0003","90","","92.5997","0.0009","90","","4343.19","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 F Li N3 O -","- C23 H31 F Li N3 O -","- C184 H248 F8 Li8 N24 O8 -","8","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","CuKα","","0.0553","0.0537","","","0.1419","0.1433","","","","","","1.007","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025672","10.0232","0.0004","13.2311","0.0005","19.1945","0.0007","93.541","0.002","103.269","0.002","105.102","0.002","2371.91","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 F2 Li2 O8 -","- C52 H68 F2 Li2 O8 -","- C104 H136 F4 Li4 O16 -","2","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","CuKα","","0.0589","0.0562","","","0.138","0.14","","","","","","1.054","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025673","16.5227","0.001","11.5657","0.0007","18.3123","0.0012","90","","91.656","0.002","90","","3498","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H63 N13 P4 -","- C22 H63 N13 P4 -","- C88 H252 N52 P16 -","4","1","","Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich","Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues","Journal of Organic Chemistry","2010","75","","6163","6172","10.1021/jo100970r","","","1.54178","CuKα","","0.0311","0.0295","","","0.0801","0.0815","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025674","7.687","0.005","10.97","0.002","19.972","0.004","90","","90","","90","","1684.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Manas K. Ghorai; Deo Prakash Tiwari","Lewis Acid Catalyzed Highly Stereoselective Domino-Ring-Opening Cyclization of Activated Aziridines with Enolates: Synthesis of Functionalized Chiral γ-Lactams","Journal of Organic Chemistry","2010","75","","6173","6181","10.1021/jo101004x","","","0.71073","MoKα","","0.0857","0.0613","","","0.1507","0.1856","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025675","13.3422","0.0002","22.6427","0.0004","21.7077","0.0003","90","","102.572","0.0016","90","","6400.74","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H86 N6 O3 -","- C71 H86 N6 O3 -","- C284 H344 N24 O12 -","4","1","","Grazia Cafeo; Howard M. Colquhoun; Angela Cuzzola; Mario Gattuso; Franz H. Kohnke; Luca Valenti; Andrew J. P. White","Synthesis, X-ray Structure, and Anion-Binding Properties of a Cryptand-Like Hybrid Calixpyrrole","Journal of Organic Chemistry","2010","75","","6263","6266","10.1021/jo1010262","","","0.71073","MoKα","","0.091","0.0511","","","0.1244","0.1328","","","","","","0.97","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025676","8.116","0.003","8.813","0.003","10.402","0.003","90","","112.059","0.004","90","","689.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C30 H40 N4 O4 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","0.71073","MoKα","","0.0515","0.0427","","","0.114","0.123","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025677","8.7424","0.0003","12.4268","0.0004","15.4933","0.0005","81.016","0.002","81.487","0.002","84.078","0.002","1638.7","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","2","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","1.54178","CuKα","","0.0458","0.0369","","","0.0915","0.0972","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025678","8.66","0.0002","29.0866","0.0007","11.5414","0.0003","90","","91.706","0.001","90","","2905.87","0.12","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C120 H160 N16 O24 -","8","2","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","1.54178","CuKα","","0.037","0.0349","","","0.0943","0.0966","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025679","10.7078","0.001","12.1574","0.0013","13.2918","0.0012","107.653","0.007","109.664","0.007","93.441","0.008","1527.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N5 O7 -","- C31 H35 N5 O7 -","- C62 H70 N10 O14 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding","Journal of Organic Chemistry","2010","75","","6068","6078","10.1021/jo101075a","","","1.54178","Cu-Kα","","0.1472","0.0926","","","0.2323","0.2717","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025680","5.6623","0.0006","10.0775","0.0009","16.324","0.002","90","","90","","90","","931.48","0.17","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 S3 -","- C9 H8 S3 -","- C36 H32 S12 -","4","1","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.71073","MoKα","","0.0986","0.071","","","0.1807","0.1886","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025681","12.759","0.007","10.142","0.005","6.664","0.003","90","","90","","90","","862.3","0.7","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C7 H10 S3 -","- C7 H10 S3 -","- C28 H40 S12 -","4","0.5","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.6889","synchrotron","","0.0937","0.0462","","","0.1037","0.1246","","","","","","1.014","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025682","13.169","0.005","6.129","0.002","13.994","0.005","90","","108.241","0.004","90","","1072.7","0.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O S3 -","- C10 H10 O S3 -","- C40 H40 O4 S12 -","4","1","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.6889","synchrotron","","0.0676","0.0582","","","0.1731","0.1793","","","","","","1.175","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025683","9.6709","0.0003","10.2215","0.0004","10.6585","0.0006","107.473","0.003","92.291","0.002","116.375","0.002","881.65","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N S -","- C23 H19 N S -","- C46 H38 N2 S2 -","2","1","","Xiaoxiang Zhang; Wan Teng Teo; Sally; Philip Wai Hong Chan","Brønsted Acid Catalyzed Cyclization of Propargylic Alcohols with Thioamides. Facile Synthesis of Di- and Trisubstituted Thiazoles","Journal of Organic Chemistry","2010","75","","6290","6293","10.1021/jo101292r","","","0.71073","MoKα","","0.0774","0.063","","","0.1952","0.2512","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025684","9.6923","0.0011","10.0308","0.0011","12.2838","0.0014","101.725","0.006","100.635","0.006","115.204","0.005","1007.3","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N S -","- C25 H22 Cl N S -","- C50 H44 Cl2 N2 S2 -","2","1","","Xiaoxiang Zhang; Wan Teng Teo; Sally; Philip Wai Hong Chan","Brønsted Acid Catalyzed Cyclization of Propargylic Alcohols with Thioamides. Facile Synthesis of Di- and Trisubstituted Thiazoles","Journal of Organic Chemistry","2010","75","","6290","6293","10.1021/jo101292r","","","0.71073","MoKα","","0.0745","0.0484","","","0.1415","0.1707","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025685","5.3449","0.0008","17.133","0.003","10.4547","0.0015","90","","103.447","0.003","90","","931.1","0.3","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 N O S -","- C19 H29 N O S -","- C38 H58 N2 O2 S2 -","2","1","","José C. González-Gómez; Mohamed Medjahdi; Francisco Foubelo; Miguel Yus","Stereoselective α-Aminoallylation of Aldehydes with Chiraltert-Butanesulfinamides and Allyl Bromides","Journal of Organic Chemistry","2010","75","","6308","6311","10.1021/jo101379u","","","0.71073","MoKα","","0.0441","0.0394","","","0.098","0.1016","","","","","","1.03","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025686","12.0282","0.0001","34.3106","0.0006","11.2526","0.0001","90","","90","","90","","4643.89","0.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H16 O3 S -","- C11 H16 O3 S -","- C176 H256 O48 S16 -","16","1","","Michael G. Brant; Caleb M. Bromba; Jeremy E. Wulff","Tandem Vinylogous 1,2-Addition/Anionic Oxy-Cope Reaction Leading from Butadiene Sulfone to an Orthogonally Functionalized Bicycle","Journal of Organic Chemistry","2010","75","","6312","6315","10.1021/jo101389c","","","1.54178","CuKα","","0.0264","0.026","","","0.0666","0.0669","","","","","","1.077","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025687","12.2547","0.0002","27.5395","0.0005","9.9291","0.0002","90","","90","","90","","3350.96","0.11","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Michael G. Brant; Caleb M. Bromba; Jeremy E. Wulff","Tandem Vinylogous 1,2-Addition/Anionic Oxy-Cope Reaction Leading from Butadiene Sulfone to an Orthogonally Functionalized Bicycle","Journal of Organic Chemistry","2010","75","","6312","6315","10.1021/jo101389c","","","1.54178","CuKα","","0.0498","0.04","","","0.098","0.1044","","","","","","1.028","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025688","10.727","0.003","8.296","0.002","28.816","0.007","90","","90.49","0.005","90","","2564.3","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H33 Cl N O4 -","- C31.5 H33 Cl N O4 -","- C126 H132 Cl4 N4 O16 -","4","1","","Harry Adams; Tareg M. Elsunaki; Isaac Ojea-Jiménez; Simon Jones; Anthony J. H. M. Meijer","Diastereoselective Cycloadditions and Transformations of N-Alkyl and N-Aryl Maleimides with Chiral 9-Anthrylethanol Derivatives","Journal of Organic Chemistry","2010","75","","6252","6262","10.1021/jo101437b","","","0.71073","MoKα","","0.1134","0.0656","","","0.157","0.1952","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025689","18.738","0.006","11.896","0.004","18.771","0.006","90","","110.337","0.004","90","","3923","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C184 H200 N8 O24 -","8","2","","Harry Adams; Tareg M. Elsunaki; Isaac Ojea-Jiménez; Simon Jones; Anthony J. H. M. Meijer","Diastereoselective Cycloadditions and Transformations of N-Alkyl and N-Aryl Maleimides with Chiral 9-Anthrylethanol Derivatives","Journal of Organic Chemistry","2010","75","","6252","6262","10.1021/jo101437b","","","0.71073","MoKα","","0.0646","0.0441","","","0.1021","0.112","","","","","","1.028","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025690","5.746","0.0018","11.149","0.004","11.329","0.004","90","","90","","90","","725.8","0.4","293","2","293","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","1-deoxy-5-thio-D-glucopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0748","0.0621","","","0.1907","0.2232","","","","","","1.221","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025691","4.8443","0.001","8.1458","0.0017","9.669","0.002","90","","94.02","0.003","90","","380.61","0.14","273","2","273","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","1-deoxythiomannojirimycin","","- C6 H12 O4 S -","- C6 H12 O4 S -","- C12 H24 O8 S2 -","2","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0248","0.0247","","","0.0701","0.0703","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025692","9.01","0.0004","9.01","0.0004","8.8021","0.0005","90","","90","","90","","714.56","0.06","296","2","296","2","","","","","","","see text","4","P 42","P 4c","77","","1-deoxy-5-thio-D-mannopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.041","0.035","","","0.0838","0.0882","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025693","11.16","0.003","11.16","0.003","5.904","0.003","90","","90","","90","","735.3","0.5","293","2","293","2","","","","","","","see text","4","P 41","P 4w","76","","1-deoxy-5-thio-D-talopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0293","0.0285","","","0.0716","0.072","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025694","12.7495","0.0011","24.5625","0.0018","8.8304","0.0006","90","","105.175","0.009","90","","2668.9","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N O P Sn -","- C28 H28 N O P Sn -","- C112 H112 N4 O4 P4 Sn4 -","4","1","","David Aguilar; Ignacio Fernández; Luciano Cuesta; Víctor Yañez-Rodríguez; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia; Fernando López Ortiz","Synthesis, Structure, and Reactivity of N-Benzoyl Iminophosphoranes Ortho Lithiated at the Benzoyl Group","Journal of Organic Chemistry","2010","75","","6452","6462","10.1021/jo101151s","","","0.71073","MoKα","","0.2341","0.0787","","","0.1039","0.1225","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025695","8.5967","0.0015","16.076","0.003","21.506","0.004","90","","90","","90","","2972.1","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H58 P2 Pd -","- C26 H58 P2 Pd -","- C104 H232 P8 Pd4 -","4","0.5","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0278","0.02","","","0.048","0.051","","","","","","1.043","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025696","9.0627","0.0009","19.0195","0.0019","18.0018","0.0018","90","","99.276","0.002","90","","3062.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H58 Cl2 P2 Pd -","- C26 H58 Cl2 P2 Pd -","- C104 H232 Cl8 P8 Pd4 -","4","1","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0274","0.021","","","0.0455","0.0475","","","","","","1.058","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025697","8.9219","0.0005","13.8729","0.0008","15.1814","0.0009","90","","90","","90","","1879.04","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Cl P Pd -","- C16 H34 Cl P Pd -","- C64 H136 Cl4 P4 Pd4 -","4","1","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0307","0.0242","","","0.0434","0.0449","","","","","","1.02","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025698","46.091","0.007","8.9249","0.0014","16.729","0.003","90","","96.884","0.003","90","","6832","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H63 Cl P2 Pd2 -","- C29 H63 Cl P2 Pd2 -","- C232 H504 Cl8 P16 Pd16 -","8","1","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0621","0.0419","","","0.0927","0.0987","","","","","","1.028","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025699","19.7973","0.0019","5.06","0.0004","12.4821","0.0011","90","","100.964","0.004","90","","1227.56","0.19","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 O -","- C12 H15 N5 O -","- C48 H60 N20 O4 -","4","1","","Alan R. Katritzky; Bahaa El-Dien M. El-Gendy; Bogdan Draghici; C. Dennis Hall; Peter J. Steel","NMR Study of the Tautomeric Behavior of N-(α-Aminoalkyl)tetrazoles","Journal of Organic Chemistry","2010","75","","6468","6476","10.1021/jo101195z","","","0.71073","MoKα","","0.1089","0.0426","","","0.0762","0.0875","","","","","","0.81","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025700","14.93","0.001","6.9429","0.0005","15.804","0.001","90","","90.334","0.007","90","","1638.18","0.19","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C64 H76 N4 O24 -","4","1","","Patricia Y. Hayes; Sharon Chow; Fredrik Rahm; Paul V. Bernhardt; James J. De Voss; William Kitching","Synthesis of the Sponge-Derived Plakortone Series of Bioactive Compounds","Journal of Organic Chemistry","2010","75","","6489","6501","10.1021/jo101224w","","x-ray","0.71073","MoKα","","0.0738","0.0413","","","0.1035","0.1193","","","","","","1.049","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025701","10.5863","0.0003","14.001","0.0004","25.4484","0.0008","90","","90","","90","","3771.93","0.19","183","2","183","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C168 H208 O48 -","8","1","","Dae Won Cho; Ramakrishnan Parthasarathi; Adam S. Pimentel; Gabriel D. Maestas; Hea Jung Park; Ung Chan Yoon; Debra Dunaway-Mariano; S. Gnanakaran; Paul Langan; Patrick S. Mariano","Nature and Kinetic Analysis of Carbon-Carbon Bond Fragmentation Reactions of Cation Radicals Derived from SET-Oxidation of Lignin Model Compounds","Journal of Organic Chemistry","2010","75","","6549","6562","10.1021/jo1012509","","","0.71073","MoKα","","0.0518","0.042","","","0.1279","0.1429","","","","","","1","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025702","9.2852","0.0003","10.9825","0.0004","18.1638","0.0006","90","","92.663","0.002","90","","1850.25","0.11","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Isopropyl-7-methyl-4-oxo-1-aza- spiro[5.5]undecane-1-carboxylic acid tert-butyl ester","","- C19 H33 N O3 -","- C19 H33 N O3 -","- C76 H132 N4 O12 -","4","1","","James J. Sahn; Daniel L. Comins","[2 + 2] Photochemical Cycloaddition/Ring Opening of 6-Alkenyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2010","75","","6728","6731","10.1021/jo101276q","","","1.5418","CuKα","","0.0497","0.0378","","","0.0915","0.0971","","","","","","1.059","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025703","5.68","0.003","8.405","0.005","21.474","0.012","90","","90","","90","","1025.2","1","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Rachel L. Beingessner; Julie A. Farand; Louis Barriault","Progress toward the Total Synthesis of (\±)-Havellockate","Journal of Organic Chemistry","2010","75","","6337","6346","10.1021/jo101279z","","","0.71073","MoKα","","0.0287","0.0281","","","0.0808","0.0813","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025704","9.9024","0.0009","12.031","0.0012","7.4151","0.0005","90","","96.371","0.002","90","","877.95","0.13","108","2","108","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N6 O2 S -","- C6 H4 N6 O2 S -","- C24 H16 N24 O8 S4 -","4","1","","Alan R. Katritzky; Mirna El Khatib; Oleg Bol'shakov; Levan Khelashvili; Peter J. Steel","Benzotriazol-1-yl-sulfonyl Azide for Diazotransfer and Preparation of Azidoacylbenzotriazoles","Journal of Organic Chemistry","2010","75","","6532","6539","10.1021/jo101296s","","","0.71073","MoKα","","0.0595","0.038","","","0.0704","0.0756","","","","","","0.896","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025705","7.686","0.002","23.514","0.006","11.108","0.003","90","","100.007","0.004","90","","1977","0.9","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 Cu N10 O12 -","- C34 H38 Cl2 Cu N10 O12 -","- C68 H76 Cl4 Cu2 N20 O24 -","2","0.5","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0426","0.0346","","","0.0896","0.0943","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025706","34.509","0.007","10.307","0.002","16.152","0.003","90","","92.643","0.002","90","","5738.9","1.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cl2 N7 O8 Zn -","- C24 H24 Br Cl2 N7 O8 Zn -","- C192 H192 Br8 Cl16 N56 O64 Zn8 -","8","1","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0712","0.0617","","","0.2051","0.211","","","","","","1.254","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025707","15.4459","0.0011","21.1338","0.0015","19.5258","0.0014","90","","101.28","0.001","90","","6250.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 Br2 Cl4 Cu2 N15 O18 -","- C50 H55 Br2 Cl4 Cu2 N15 O18 -","- C200 H220 Br8 Cl16 Cu8 N60 O72 -","4","1","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0489","0.0342","","","0.0787","0.0849","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025708","11.5336","0.0007","12.7083","0.0008","7.3491","0.0005","90","","105.434","0.001","90","","1038.33","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl4 Cu2 N8 -","- C14 H16 Cl4 Cu2 N8 -","- C28 H32 Cl8 Cu4 N16 -","2","0.5","","Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of Organic Chemistry","2010","75","","6540","6548","10.1021/jo101305m","","","0.71073","MoKα","","0.0227","0.021","","","0.0467","0.0469","","","","","","2.652","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025709","6.9676","0.0005","15.4981","0.0011","22.8186","0.0017","90","","90","","90","","2464.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C128 H80 O16 S8 -","8","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0447","0.0386","","","0.0933","0.0974","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025710","9.2564","0.0016","10.2025","0.0017","13.072","0.002","81.894","0.002","74.682","0.002","77.448","0.002","1157.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C62 H56 N4 O2 -","2","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0722","0.0463","","","0.1174","0.1346","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025711","7.6654","0.0015","11.183","0.002","13.786","0.003","81.1268","0.003","89.5817","0.0031","80.8755","0.0031","1152.7","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H26 N2 O Pd -","- C31 H26 N2 O Pd -","- C62 H52 N4 O2 Pd2 -","2","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0561","0.0402","","","0.0722","0.0785","","","","","","1.066","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025712","7.355","0.003","19.337","0.007","11.651","0.004","90","","103.528","0.008","90","","1611.1","1","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0745","0.0534","","","0.1357","0.1498","","","","","","1.075","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025713","8.6136","0.0006","9.3565","0.0004","14.3087","0.0013","97.222","0.004","103.333","0.006","103.505","0.003","1071.24","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl N O2 -","- C26 H24 Cl N O2 -","- C52 H48 Cl2 N2 O4 -","2","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0681","0.0616","","","0.1661","0.1713","","","","","","1.088","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025714","9.16","0.0002","9.4906","0.0002","25.9204","0.0007","90","","90","","90","","2253.36","0.09","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0514","0.0429","","","0.1007","0.1079","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025715","9.3817","0.0002","10.3573","0.0004","21.6593","0.0012","90","","90","","90","","2104.61","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N O2 -","- C26 H24 F N O2 -","- C104 H96 F4 N4 O8 -","4","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0416","0.0381","","","0.0935","0.0963","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025716","9.592","0.003","17.603","0.005","19.168","0.005","90","","93.087","0.004","90","","3231.8","1.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 N4 O6 -","- C36 H36 N4 O6 -","- C144 H144 N16 O24 -","4","2","","Daniel P. Iwaniuk; Christian Wolf","A Versatile and Practical Solvating Agent for Enantioselective Recognition and NMR Analysis of Protected Amines","Journal of Organic Chemistry","2010","75","","6724","6727","10.1021/jo101426a","","","0.71073","MoKα","","0.0785","0.0482","","","0.1068","0.117","","","","","","0.977","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025717","8.5058","0.0017","13.765","0.003","25.132","0.005","90","","98.56","0.03","90","","2909.7","1.1","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O9 -","- C32 H28 N2 O9 -","- C128 H112 N8 O36 -","4","1","","Huan-Rui Pan; Yong-Jia Li; Cai-Xia Yan; Juan Xing; Ying Cheng","Multicomponent Reaction of Imidazo[1,5-a]pyridine Carbenes with Aldehydes and Dimethyl Acetylenedicarboxylate or Allenoates: A Straightforward Approach to Fully Substituted Furans","Journal of Organic Chemistry","2010","75","","6644","6652","10.1021/jo1014933","","","0.71073","MoKα","","0.0593","0.0485","","","0.1145","0.1215","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025718","8.3127","0.0003","11.2189","0.0004","15.1578","0.0006","75.681","0.001","78.909","0.001","84.941","0.001","1342.88","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Cl N2 O3 -","- C32 H27 Cl N2 O3 -","- C64 H54 Cl2 N4 O6 -","2","1","","Huan-Rui Pan; Yong-Jia Li; Cai-Xia Yan; Juan Xing; Ying Cheng","Multicomponent Reaction of Imidazo[1,5-a]pyridine Carbenes with Aldehydes and Dimethyl Acetylenedicarboxylate or Allenoates: A Straightforward Approach to Fully Substituted Furans","Journal of Organic Chemistry","2010","75","","6644","6652","10.1021/jo1014933","","","0.71073","MoKα","","0.0568","0.0464","","","0.124","0.1328","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025719","13.583","0.002","7.7892","0.0013","31.307","0.005","90","","96.563","0.002","90","","3290.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 O2 -","- C42 H34 N2 O2 -","- C168 H136 N8 O8 -","4","1","","Marwan W. Ghosn; Christian Wolf","Stereocontrolled Photodimerization with Congested 1,8-Bis(4'-anilino)naphthalene Templates","Journal of Organic Chemistry","2010","75","","6653","6659","10.1021/jo101547w","","","0.71073","MoKα","","0.0957","0.0554","","","0.1163","0.1289","","","","","","0.993","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025720","9.5279","0.0015","10.4512","0.0016","12.1116","0.0019","100.867","0.003","110.309","0.003","98.418","0.003","1081","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Marwan W. Ghosn; Christian Wolf","Stereocontrolled Photodimerization with Congested 1,8-Bis(4'-anilino)naphthalene Templates","Journal of Organic Chemistry","2010","75","","6653","6659","10.1021/jo101547w","","","0.71073","MoKα","","0.1167","0.0599","","","0.1107","0.1221","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025721","8.7128","0.0013","7.4839","0.0011","9.3223","0.0013","90","","96.339","0.002","90","","604.15","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","08053a","","","- C8 H13 I2 N O -","- C8 H13 I2 N O -","- C16 H26 I4 N2 O2 -","2","1","","Micah J. Niphakis; Brandon J. Turunen; Gunda I. Georg","Synthesis of 6- and 7-Membered Cyclic Enaminones: Scope and Mechanism","Journal of Organic Chemistry","2010","75","","6793","6805","10.1021/jo100907u","","","0.71073","MoKα","","0.0203","0.0192","","","0.0479","0.0483","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025722","8.7678","0.0018","13.201","0.003","14.773","0.003","73.87","0.03","84.78","0.03","71.32","0.03","1556","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Br N O9 S -","- C33 H30 Br N O9 S -","- C66 H60 Br2 N2 O18 S2 -","2","1","","Avedis Karadeolian; Michael A. Kerr","Total Synthesis of (+)-Isatisine A","Journal of Organic Chemistry","2010","75","","6830","6841","10.1021/jo101209y","","","0.71073","MoKα","","0.1067","0.0788","","","0.1893","0.2035","","","","","","1.122","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025723","7.7127","0.0015","9.0249","0.0018","23.602","0.005","98.62","0.03","93.36","0.03","98.99","0.03","1598.7","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N O5 Si -","- C36 H42 N O5 Si -","- C72 H84 N2 O10 Si2 -","2","1","","Avedis Karadeolian; Michael A. Kerr","Total Synthesis of (+)-Isatisine A","Journal of Organic Chemistry","2010","75","","6830","6841","10.1021/jo101209y","","","0.71073","MoKα","","0.0872","0.0536","","","0.1512","0.1847","","","","","","1.079","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025724","10.01","0.006","11.528","0.003","11.304","0.003","90","","102.9","0.04","90","","1271.5","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H23 B N2 -","- C11 H23 B N2 -","- C44 H92 B4 N8 -","4","0.5","","Malika Makhlouf Brahmi; Julien Monot; Marine Desage-El Murr; Dennis P. Curran; Louis Fensterbank; Emmanuel Lacôte; Max Malacria","Preparation of NHC Borane Complexes by Lewis Base Exchange with Amine- and Phosphine-Boranes","Journal of Organic Chemistry","2010","75","","6983","6985","10.1021/jo101301d","","","0.71073","MoKα","","0.137","0.0627","","","0.1657","0.1975","","","","","","1.024","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025725","6.8199","0.0014","17.902","0.004","20.555","0.004","90","","90","","90","","2509.6","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O5 -","- C29 H24 Cl N O5 -","- C116 H96 Cl4 N4 O20 -","4","1","","Hui Lv; Xiang-Yu Chen; Li-hui Sun; Song Ye","Enantioselective Synthesis of Indole-Fused Dihydropyranones via Catalytic Cycloaddition of Ketenes and 3-Alkylenyloxindoles","Journal of Organic Chemistry","2010","75","","6973","6976","10.1021/jo101318u","","","1.54186","CuKα","","0.1248","0.0976","","","0.138","0.1492","","","","","","1.252","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025726","7.0429","0.0006","17.4903","0.0016","12.7831","0.0011","90","","96.697","0.002","90","","1563.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","","Charles D. Swor; Lev N. Zakharov; David R. Tyler","A Colorimetric Proton Sponge","Journal of Organic Chemistry","2010","75","","6977","6979","10.1021/jo101381r","","","0.71073","MoKα","","0.0608","0.0446","","","0.0747","0.0811","","","","","","1.059","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025727","5.9154","0.0001","20.1928","0.0003","26.1972","0.0004","90","","90","","90","","3129.22","0.09","150","2","150","2","","","","","","","synthesized by the authors","3","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C176 H96 Cl16 -","8","1","","Olivier Songis; Jiří Míšek; Markus B. Schmid; Adrian Kollárovič; Irena G. Stará; David Šaman; Ivana Císařová; Ivo Starý","A Versatile Synthesis of Functionalized Pentahelicenes","Journal of Organic Chemistry","2010","75","","6889","6899","10.1021/jo1013977","","","0.71073","MoKα","","0.0481","0.035","","","0.0907","0.0993","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025728","20.2803","0.0008","9.1154","0.0003","12.4619","0.0005","90","","107.369","0.0018","90","","2198.69","0.14","150","2","150","2","","","","","","","synthesized by the authors","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 -","- C34 H22 -","- C136 H88 -","4","0.5","","Olivier Songis; Jiří Míšek; Markus B. Schmid; Adrian Kollárovič; Irena G. Stará; David Šaman; Ivana Císařová; Ivo Starý","A Versatile Synthesis of Functionalized Pentahelicenes","Journal of Organic Chemistry","2010","75","","6889","6899","10.1021/jo1013977","","","0.71073","MoKα","","0.0511","0.0397","","","0.105","0.1121","","","","","","1.053","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025729","9.10987","0.00019","11.5457","0.0003","13.0695","0.0003","74.323","0.0014","79.684","0.0014","66.175","0.0012","1206.9","0.05","93","","","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N2 -","- C32 H30 N2 -","- C64 H60 N4 -","2","1","","Akio Saito; Jun Kasai; Tomoyo Konishi; Yuji Hanzawa","Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component Alkyne-Imine Metathesis","Journal of Organic Chemistry","2010","75","","6980","6982","10.1021/jo1013993","","","1.54187","CuKα","","","0.0352","","","","0.1058","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025730","9.5092","0.0003","12.9612","0.0004","19.9169","0.0006","90","","90.0511","0.0018","90","","2454.77","0.13","93","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 -","- C32 H32 N2 -","- C128 H128 N8 -","4","1","","Akio Saito; Jun Kasai; Tomoyo Konishi; Yuji Hanzawa","Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component Alkyne-Imine Metathesis","Journal of Organic Chemistry","2010","75","","6980","6982","10.1021/jo1013993","","","1.54187","CuKα","","","0.0558","","","","0.1312","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025731","9.137","0.005","9.805","0.005","11.58","0.006","89.004","0.007","89.676","0.007","74.236","0.007","998.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 F3 N2 O3 -","- C21 H17 F3 N2 O3 -","- C42 H34 F6 N4 O6 -","2","1","","Hua Wang; Renhua Fan","Stereoselective Synthesis of 2-Carbamoyl-2-cyanocyclopropanecarboxylates by Tandem Oxidative Cyclization and Neighboring Group-Assisted Decarboxylation","Journal of Organic Chemistry","2010","75","","6994","6997","10.1021/jo1014245","","","0.71073","MoKα","","0.1973","0.15","","","0.4211","0.4925","","","","","","1.709","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025732","5.7278","0.0017","7.53","0.002","13.217","0.004","90","","99.059","0.005","90","","562.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Dengfu Lu; Yajun Li; Yuefa Gong","Organocatalytic Asymmetric Tandem Michael Addition-Hemiacetalization: A Route to Chiral Dihydrocoumarins, Chromanes, and 4H-Chromenes","Journal of Organic Chemistry","2010","75","","6900","6907","10.1021/jo101446d","","","0.71073","MoKα","","0.0488","0.0474","","","0.1229","0.1248","","","","","","1.074","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4025733","6.6667","0.0002","11.1767","0.0003","15.5388","0.0004","78.951","0.001","79.354","0.001","73.025","0.001","1076.57","0.05","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C18 H33 N3 O4 Si -","- C18 H33 N3 O4 Si -","- C36 H66 N6 O8 Si2 -","2","2","","Ji S. Ko; Ji E. Keum; Soo Y. Ko","A Synthesis of Oseltamivir (Tamiflu) Starting fromd-Mannitol","Journal of Organic Chemistry","2010","75","","7006","7009","10.1021/jo101517g","","","0.71073","MoKα","","0.0596","0.0484","","","0.1235","0.1327","","","","","","1.062","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025734","10.029","0.003","10.126","0.004","10.939","0.004","66.801","0.004","74.011","0.004","68.931","0.004","941.1","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-(4-Methoxyphenyl)dibenzo[a,k]phenanthridin-4(3H)-one ?","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKa","","0.1153","0.057","","","0.1185","0.1447","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025735","8.586","0.01","9.973","0.011","15.708","0.018","90","","94.283","0.015","90","","1341","3","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-((S)-1-Phenylethyl) 2-(tert-butoxycarbonylamino)-1,1'-binaphthyl -2'-carboxylate","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0815","0.0475","","","0.1008","0.1244","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025736","9.5527","0.0014","10.1375","0.0015","14.453","0.002","103.724","0.002","97.607","0.002","112.59","0.001","1215.8","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","(dl)-2'-(tert-Butoxycarbonylamino)-1,1'-binaphthyl-2-carboxylic acid ?","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C52 H46 N2 O8 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0638","0.0462","","","0.1295","0.1402","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025737","19.296","0.001","11.2886","0.0006","26.8332","0.0015","90","","90","","90","","5844.9","0.5","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(dl)-tert-Butyl 2'-(hydroxydiphenylmethyl)-1,1'-binaphthyl-2-ylcarbamate","","- C38 H33 N O3 -","- C38 H33 N O3 -","- C304 H264 N8 O24 -","8","2","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0592","0.0414","","","0.0896","0.099","","","","","","1.039","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025738","10.2718","0.001","9.1068","0.0009","12.8312","0.0013","90","","110.61","0.001","90","","1123.45","0.19","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-4,4-Diphenyl-3,4-dihydrodibenzo[a,k]phenanthridine ?","","- C33 H23 N -","- C33 H23 N -","- C66 H46 N2 -","2","1","","Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata","Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene","Journal of Organic Chemistry","2010","75","","7010","7013","10.1021/jo101524t","","","0.71073","MoKα","","0.0464","0.0382","","","0.0873","0.0923","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025739","15.481","0.002","6.5941","0.0008","12.4508","0.0016","90","","90.049","0.002","90","","1271","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O -","- C16 H24 O -","- C64 H96 O4 -","4","1","","Michael E. Jung; Ting-Hu Zhang; Rebecca M. Lui; Osvaldo Gutierrez; K. N. Houk","Synthesis of atrans,syn,trans-Dodecahydrophenanthrene via a Bicyclic Transannular Diels-Alder Reaction: Intermediate for the Synthesis of Fusidic Acid","Journal of Organic Chemistry","2010","75","","6933","6940","10.1021/jo101533h","","","0.71073","MoKα","","0.0568","0.0408","","","0.0986","0.1079","","","","","","1.028","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025740","7.793","0.002","13.87","0.003","16.681","0.005","90","","90","","90","","1803","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Daniel J. Kerr; Jonathan M. White; Bernard L. Flynn","A Reductive-Coupling plus Nazarov Cyclization Sequence in the Asymmetric Synthesis of Five-Membered Carbocycles","Journal of Organic Chemistry","2010","75","","7073","7084","10.1021/jo100736p","","","1.5418","CuKα","","0.0548","0.0467","","","0.116","0.1238","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025741","9.483","0.002","22.611","0.005","10.386","0.002","90","","114.551","0.004","90","","2025.6","0.7","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","2","","Daniel J. Kerr; Jonathan M. White; Bernard L. Flynn","A Reductive-Coupling plus Nazarov Cyclization Sequence in the Asymmetric Synthesis of Five-Membered Carbocycles","Journal of Organic Chemistry","2010","75","","7073","7084","10.1021/jo100736p","","","0.71073","MoKα","","0.0571","0.0515","","","0.1247","0.1281","","","","","","1.237","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025742","8.9909","0.0002","9.072","0.0002","11.1381","0.0003","90","","99.743","0.003","90","","895.38","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C38 H46 Cl2 O10 -","2","1","","Carmela Napolitano; Patrick McArdle; Paul V. Murphy","Access to Resorcylic Acid Lactonesvia Phosphonate Based Intramolecular Olefination","Journal of Organic Chemistry","2010","75","","7404","7407","10.1021/jo100998b","","","0.7107","MoKα","","0.0279","0.0239","","","0.0521","0.0527","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025743","12.976","0.003","17.547","0.004","7.4994","0.0015","90","","101.304","0.003","90","","1674.4","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 N O2 -","- C18 H15 Cl2 N O2 -","- C72 H60 Cl8 N4 O8 -","4","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.0845","0.0763","","","0.159","0.1632","","","","","","1.315","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025744","11.4549","0.0011","16.0115","0.0016","11.6598","0.0012","90","","104.85","0.002","90","","2067.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O2 -","- C24 H19 Cl2 N O2 -","- C96 H76 Cl8 N4 O8 -","4","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.0402","0.0369","","","0.0922","0.0945","","","","","","1.048","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025745","17.803","0.006","9.984","0.003","25.3","0.009","90","","103.671","0.006","90","","4370","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Cl2 N O2 -","- C25 H21 Cl2 N O2 -","- C200 H168 Cl16 N8 O16 -","8","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.1444","0.0978","","","0.1573","0.1726","","","","","","1.241","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025746","27.27","0.004","7.7951","0.0012","18.08","0.003","90","","115.837","0.002","90","","3459.1","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cl2 N O2 -","- C19 H15 Cl2 N O2 -","- C152 H120 Cl16 N8 O16 -","8","1","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.0592","0.052","","","0.1282","0.1329","","","","","","1.136","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025747","11.291","0.005","15.222","0.007","21.328","0.01","90","","96.717","0.009","90","","3641","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C160 H152 Cl16 N8 O16 -","8","2","","Ram N. Ram; Neeraj Kumar; Nem Singh","Synthesis of Chlorinated Bicyclic C-Fused Tetrahydrofuro[3,2-c]azetidin-2-ones","Journal of Organic Chemistry","2010","75","","7408","7411","10.1021/jo101045z","","","0.71073","MoKα","","0.1319","0.1008","","","0.1694","0.1772","","","","","","1.615","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025748","8.3725","0.0003","13.1128","0.0003","11.2624","0.0003","90","0","90.6624","0.002","90","0","1236.38","0.06","293.15","","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O -","- C12 H14 Br N O -","- C48 H56 Br4 N4 O4 -","4","2","","Yakup Güneş; M. Fatih Polat; Ertan Sahin; Fraser F. Fleming; Ramazan Altundas","Enantioselective Synthesis of Cyclic, Quaternary Oxonitriles","Journal of Organic Chemistry","2010","75","","7092","7098","10.1021/jo1011202","","x-ray","0.71073","MoKα","","0.1514","0.0636","","","0.1144","0.1448","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025749","10.6573","0.0002","9.6225","0.0002","11.3219","0.0002","90","","117.807","0.001","90","","1026.98","0.04","293","","293","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C36 H52 N4 O20 -","4","1","","José G. Hernández; Eusebio Juaristi","Green Synthesis of α,β- and β,β-Dipeptides under Solvent-Free Conditions","Journal of Organic Chemistry","2010","75","","7107","7111","10.1021/jo101159a","","x-ray","0.71073","MoKα","","0.05","0.0398","","0.0637","0.0543","0.0501","","","","","","1.0615","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025750","6.703","0.001","12.3865","0.0017","9.1015","0.0013","90","","97.759","0.007","90","","748.75","0.19","298","","293","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C30 H34 N2 O10 -","2","1","","José G. Hernández; Eusebio Juaristi","Green Synthesis of α,β- and β,β-Dipeptides under Solvent-Free Conditions","Journal of Organic Chemistry","2010","75","","7107","7111","10.1021/jo101159a","","x-ray","0.71073","MoKα","","0.1273","0.0587","","0.2625","0.2005","0.1496","","","","","","1.0376","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025751","12.7933","0.0005","7.6796","0.0003","17.9035","0.0007","90","","110.324","0.002","90","","1649.47","0.11","173","1","173","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1,3-bis[bis[diisopropylamino)phosphino]-1H-imidazol-2-ylidene","","- C27 H58 N6 P2 -","- C27 H58 N6 P2 -","- C54 H116 N12 P4 -","2","0.5","","Anatolii P. Marchenko; Heorgii N. Koidan; Anastasiya N. Huryeva; Evgeniy V. Zarudnitskii; Aleksandr A. Yurchenko; Aleksandr N. Kostyuk","N-Phosphorylated Imidazolium Salts as Precursors to 2- and 5-Phosphorylated Imidazoles and New Imidazol-2-ylidenes Featuring the PNCN Unit","Journal of Organic Chemistry","2010","75","","7141","7145","10.1021/jo101177h","","","0.71073","MoKα","","0.0704","0.045","","","0.0933","0.1042","","","","","","1.033","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025752","13.124","0.002","13.287","0.002","9.674","0.0016","90","","100.907","0.002","90","","1656.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.067","0.048","","","0.1272","0.1399","","","","","","1.057","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025753","7.334","0.006","10.834","0.008","12.736","0.01","67.154","0.007","86.631","0.008","73.542","0.008","892.9","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C42 H64 O6 -","2","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.0632","0.0499","","","0.1237","0.1305","","","","","","1.071","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025754","7.8705","0.001","9.0108","0.0011","12.0281","0.0015","72.039","0.001","83.456","0.001","85.664","0.0012","805.43","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.0482","0.0407","","","0.1026","0.1088","","","","","","1.03","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025755","13.449","0.002","14.006","0.003","14.786","0.005","98.395","0.003","102.435","0.003","117.966","0.002","2301.7","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","2","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","0.71073","MoKα","","0.1577","0.0827","","","0.1968","0.2342","","","","","","1.129","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025756","11.1254","0.001","6.3299","0.0007","23.59","0.002","90","","103.19","0.007","90","","1617.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Michael E. Jung; Rebecca M. Lui","Studies toward the Total Syntheses of Cucurbitacins B and D","Journal of Organic Chemistry","2010","75","","7146","7158","10.1021/jo101242e","","","1.54178","CuKα","","0.1508","0.0649","","","0.1174","0.1391","","","","","","0.832","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025757","26.762","0.004","9.2216","0.0013","24.454","0.003","90","","106.282","0.002","90","","5792.9","1.4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H50 N4 O5 P2 -","- C23 H50 N4 O5 P2 -","- C184 H400 N32 O40 P16 -","8","1","","Venkat Reddy Chintareddy; Arkady Ellern; John G. Verkade","P[N(i-Bu)CH2CH2]3N: Nonionic Lewis Base for Promoting the Room-Temperature Synthesis of α,β-Unsaturated Esters, Fluorides, Ketones, and Nitriles Using Wadsworth-Emmons Phosphonates","Journal of Organic Chemistry","2010","75","","7166","7174","10.1021/jo1012515","","","0.71073","MoKα","","0.0776","0.0552","","","0.1305","0.1439","","","","","","1.07","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025758","9.78","0.004","14.434","0.004","21.796","0.007","72.708","0.011","86.307","0.012","87.862","0.013","2931.1","1.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H38 N4 O4 -","- C52 H38 N4 O4 -","- C104 H76 N8 O8 -","2","1","","Jing Cao; Xiao-Zhang Zhu; Chuan-Feng Chen","Synthesis, Structure, and Binding Property of Pentiptycene-Based Rigid Tweezer-like Molecules","Journal of Organic Chemistry","2010","75","","7420","7423","10.1021/jo101313w","","","0.71073","MoKα","","0.1166","0.0891","","","0.2424","0.2634","","","","","","1.031","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025759","14.8492","0.0003","5.8247","0.0001","16.4716","0.0003","90","","97.916","0.002","90","","1411.09","0.05","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Maialen Aginagalde; Tamara Bello; Carme Masdeu; Yosu Vara; Ana Arrieta; Fernando P. Cossío","Formation of γ-Oxoacids and 1H-Pyrrol-2(5H)-ones from α,β-Unsaturated Ketones and Ethyl Nitroacetate","Journal of Organic Chemistry","2010","75","","7435","7438","10.1021/jo101388x","","x-ray","0.71073","MoKα","","0.0545","0.0462","","","0.1186","0.1217","","","","","","1.045","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025760","5.5473","0.0002","18.097","0.0009","18.1136","0.001","90","","90","","90","","1818.42","0.15","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Maialen Aginagalde; Tamara Bello; Carme Masdeu; Yosu Vara; Ana Arrieta; Fernando P. Cossío","Formation of γ-Oxoacids and 1H-Pyrrol-2(5H)-ones from α,β-Unsaturated Ketones and Ethyl Nitroacetate","Journal of Organic Chemistry","2010","75","","7435","7438","10.1021/jo101388x","","x-ray","0.71073","MoKα","","0.0517","0.0317","","","0.0469","0.049","","","","","","0.76","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025761","13.5051","0.0004","13.3289","0.0004","13.1464","0.0004","90","","113.55","0.001","90","","2169.36","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 N5 -","- C26 H15 N5 -","- C104 H60 N20 -","4","1","","Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang","Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives","Journal of Organic Chemistry","2010","75","","7273","7278","10.1021/jo101456v","","","0.71073","MoKα","","0.0944","0.068","","","0.1322","0.1422","","","","","","1.238","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025762","13.556","0.003","8.2956","0.0017","19.778","0.004","90","","100.12","0.03","90","","2189.5","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 N6 -","- C27 H14 N6 -","- C108 H56 N24 -","4","1","","Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang","Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives","Journal of Organic Chemistry","2010","75","","7273","7278","10.1021/jo101456v","","","0.71073","MoKα","","0.0618","0.0534","","","0.1108","0.115","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025763","10.19","0.002","10.426","0.002","27.174","0.005","99.24","0.03","91.06","0.03","116.77","0.03","2530.6","1.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H19 N5 -","- C32 H19 N5 -","- C128 H76 N20 -","4","2","","Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang","Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives","Journal of Organic Chemistry","2010","75","","7273","7278","10.1021/jo101456v","","","0.71073","MoKα","","0.1034","0.0884","","","0.1826","0.1911","","","","","","1.171","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025764","11.3635","0.0007","18.3224","0.0011","10.5427","0.0006","90","","106.89","0.004","90","","2100.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N2 O2 -","- C22 H24 Br N2 O2 -","- C88 H96 Br4 N8 O8 -","4","1","","Yuhua Long; Dingqiao Yang; Zhenming Zhang; Yujuan Wu; Heping Zeng; Yu Chen","Iridium-Catalyzed Asymmetric Ring Opening of Azabicyclic Alkenes by Amines","Journal of Organic Chemistry","2010","75","","7291","7299","10.1021/jo101470r","","","0.71073","MoKα","","0.1599","0.0586","","","0.1262","0.1664","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025765","7.9524","0.0002","8.2007","0.0002","9.4468","0.0002","108.738","0.001","107.45","0.002","94.121","0.002","546.84","0.02","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Methyl 3,3-Dimethyl-9-oxo-2,4-dioxabicyclo[3.3.1]nonane-7α-carboxylate","","- C11 H16 O5 -","- C11 H16 O5 -","- C22 H32 O10 -","2","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.0462","0.0385","","","0.0871","0.0933","","","","","","1.063","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025766","13.3302","0.0001","6.0018","0.0001","16.818","0.0001","90","","101.744","0.001","90","","1317.36","0.03","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 9-Oxo-3α-phenyl-2,4-dioxabicyclo[3.3.1]nonane-7α-carboxylate","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","1.54178","CuKα","","0.0318","0.0313","","","0.0781","0.0786","","","","","","1.054","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025767","6.0448","0.0002","8.1728","0.0003","22.5871","0.0008","90","","91.388","0.001","90","","1115.54","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","JC2-019","Methyl 3,3-Dimethyl-9-oxo-2,4-dioxabicyclo[3.3.1]nonane-7β-carboxylate","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.0521","0.0397","","","0.1083","0.1161","","","","","","1.026","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025768","5.9584","0.0003","11.0045","0.0004","39.4196","0.0018","90","","91.223","0.001","90","","2584.1","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 9-Oxo-3α-phenyl-2,4-dioxabicyclo[3.3.1]nonane-7β-carboxylate","","- C15 H16 O5 -","- C15 H16 O5 -","- C120 H128 O40 -","8","2","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.1214","0.0814","","","0.1392","0.1591","","","","","","1.137","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025769","5.9826","0.0001","10.3401","0.0002","18.4246","0.0004","90","","96.097","0.002","90","","1133.31","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3β-Methoxy-3α-methyl-9-oxo-2,4-dioxabicyclo[3.3.1]nonane- 7β-carboxylate","","- C11 H16 O6 -","- C11 H16 O6 -","- C44 H64 O24 -","4","1","","Tyrone C. Casey; Julie Carlisle; Patrizia Tisselli; Louise Male; Neil Spencer; Richard S. Grainger","Stereoselective α,α'-Annelation Reactions of 1,3-Dioxan-5-ones","Journal of Organic Chemistry","2010","75","","7461","7464","10.1021/jo101531b","","","0.71073","MoKα","","0.0528","0.0427","","","0.1093","0.116","","","","","","1.105","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025770","9.5174","0.0009","23.507","0.002","18.6244","0.0016","90","","99.913","0.002","90","","4104.5","0.6","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O -","- C28 H21 N O -","- C224 H168 N8 O8 -","8","2","","Guoyong Song; Dan Chen; Cheng-Ling Pan; Robert H. Crabtree; Xingwei Li","Rh-Catalyzed Oxidative Coupling between Primary and Secondary Benzamides and Alkynes: Synthesis of Polycyclic Amides","Journal of Organic Chemistry","2010","75","","7487","7490","10.1021/jo101596d","","","0.71073","MoKα","","0.1416","0.0628","","","0.1519","0.2034","","","","","","0.951","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4025771","10.1836","0.0011","15.7932","0.0017","12.2948","0.0013","90","","112.466","0.002","90","","1827.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C96 H84 N4 O4 -","4","1","","Guoyong Song; Dan Chen; Cheng-Ling Pan; Robert H. Crabtree; Xingwei Li","Rh-Catalyzed Oxidative Coupling between Primary and Secondary Benzamides and Alkynes: Synthesis of Polycyclic Amides","Journal of Organic Chemistry","2010","75","","7487","7490","10.1021/jo101596d","","","0.71073","MoKα","","0.0852","0.0651","","","0.1823","0.1956","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025772","17.42","0.003","11.314","0.002","12.965","0.002","90","","107.127","0.003","90","","2442","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23 N O -","- C35 H23 N O -","- C140 H92 N4 O4 -","4","1","","Guoyong Song; Dan Chen; Cheng-Ling Pan; Robert H. Crabtree; Xingwei Li","Rh-Catalyzed Oxidative Coupling between Primary and Secondary Benzamides and Alkynes: Synthesis of Polycyclic Amides","Journal of Organic Chemistry","2010","75","","7487","7490","10.1021/jo101596d","","","0.71073","MoKα","","0.0764","0.0414","","","0.0877","0.107","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025773","7.9184","0.0001","18.5725","0.0002","20.6359","0.0003","90","","90","","90","","3034.81","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2S,3S,alphaS-tert-butyl-3-(benzyl(1-phenylethyl)amino)- 5-(tert-butyldimethylsilyloxy)-2-fluoropentanoate","","- C30 H46 F N O3 Si -","- C30 H46 F N O3 Si -","- C120 H184 F4 N4 O12 Si4 -","4","1","","Peter J. Duggan; Martin Johnston; Taryn L. March","Enantioselective Synthesis of α-Fluoro-β3-amino Esters: Synthesis of Enantiopure, Orthogonally Protected α-Fluoro-β3-lysine","Journal of Organic Chemistry","2010","75","","7365","7372","10.1021/jo101600c","","","1.54184","CuKα","","0.0344","0.0326","","","0.0843","0.0868","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025774","11.2986","0.0003","14.5663","0.0004","15.2241","0.0004","100.376","0.002","91.986","0.001","99.81","0.002","2423.03","0.11","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H29 N O4 S -","- C27 H29 N O4 S -","- C108 H116 N4 O16 S4 -","4","4","","Maria-Eleni Ragoussi; Stephen M. Walker; Andrea Piccanello; Benson M. Kariuki; Peter N. Horton; Neil Spencer; John S. Snaith","Stereoselective Synthesis of 2,4,5-Trisubstituted Piperidines via Radical Cyclization","Journal of Organic Chemistry","2010","75","","7347","7357","10.1021/jo101631y","","","0.71073","MoKα","","0.0904","0.05","","","0.1009","0.1158","","","","","","1.025","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025775","10.751","0.004","11.432","0.004","11.761","0.006","66.224","0.017","81.948","0.019","80.06","0.04","1299","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 N O4 S Si -","- C24 H39 N O4 S Si -","- C48 H78 N2 O8 S2 Si2 -","2","1","","Maria-Eleni Ragoussi; Stephen M. Walker; Andrea Piccanello; Benson M. Kariuki; Peter N. Horton; Neil Spencer; John S. Snaith","Stereoselective Synthesis of 2,4,5-Trisubstituted Piperidines via Radical Cyclization","Journal of Organic Chemistry","2010","75","","7347","7357","10.1021/jo101631y","","","1.54178","CuKα","","0.068","0.0569","","","0.1546","0.1655","","","","","","1.041","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025776","11.304","0.005","7.763","0.004","13.644","0.006","90","","99.568","0.005","90","","1180.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0639","0.0489","","","0.1223","0.171","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025777","7.801","0.005","12.547","0.006","25.089","0.003","90","","90","","90","","2456","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 S -","- C27 H26 N2 O7 S -","- C108 H104 N8 O28 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0824","0.0529","","","0.1222","0.1759","","","","","","1.157","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025778","9.738","0.005","29.292","0.004","8.035","0.006","90","","98.037","0.005","90","","2269","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O6 S -","- C25 H25 N O6 S -","- C100 H100 N4 O24 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.1192","0.0664","","","0.1527","0.1927","","","","","","1.039","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025779","8.179","0.005","9.871","0.004","15.334","0.006","100.443","0.005","98.737","0.004","94.167","0.006","1196.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C52 H62 N2 O10 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0944","0.0694","","","0.1689","0.1966","","","","","","1.042","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025780","10.781","0.005","7.655","0.006","15.097","0.004","90","","104.28","0.005","90","","1207.4","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Cl N O4 S -","- C27 H26 Cl N O4 S -","- C54 H52 Cl2 N2 O8 S2 -","2","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0778","0.0563","","","0.1251","0.1641","","","","","","1.107","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025781","15.999","0.005","7.976","0.004","20.253","0.006","90","","108.403","0.005","90","","2452.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C108 H132 N4 O20 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0916","0.0638","","","0.164","0.1866","","","","","","1.048","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025782","12.417","0.005","20.169","0.004","9.799","0.006","90","","90","","90","","2454","1.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C108 H132 N4 O20 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0729","0.0511","","","0.1178","0.146","","","","","","1.089","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025783","6.5148","0.0001","17.4318","0.0002","15.1755","0.0002","90","","101.873","0.001","90","","1686.53","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Andrew C. Silvanus; Benjamin J. Groombridge; Benjamin I. Andrews; Gabriele Kociok-Köhn; David R. Carbery","Stereoselective Synthesis of Cyclohexanones via Phase Transfer Catalyzed Double Addition of Nucleophiles to Divinyl Ketones.","Journal of Organic Chemistry","2010","75","","7491","7493","10.1021/jo101713d","","","0.71073","MoKα","","0.0559","0.0426","","","0.1028","0.111","","","","","","1.033","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025784","14.6578","0.0006","11.0691","0.0006","10.8691","0.0004","90","","100.521","0.003","90","","1733.85","0.14","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-Bis-(2,2-dibromocyclopropyl)-4,5-divinylbenzene","","- C16 H14 Br4 -","- C16 H14 Br4 -","- C64 H56 Br16 -","4","0.5","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.0552","0.0352","","","0.0831","0.0885","","","","","","1.038","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025785","17.1302","0.0008","11.1791","0.0005","23.5654","0.0011","90","","90","","90","","4512.8","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,4,5-Tetrakis-(2,2-dibromocyclopropyl)-benzene","","- C18 H14 Br8 -","- C18 H14 Br8 -","- C144 H112 Br64 -","8","1","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.0502","0.0281","","","0.0571","0.0616","","","","","","0.998","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025786","10.6247","0.0005","20.013","0.0009","12.1491","0.0004","90","","105.572","0.002","90","","2488.47","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrakis-(2,2-dibromocyclopropyl)-benzene dichloromethane solvate","","- C19 H16 Br8 Cl2 -","- C19 H16 Br8 Cl2 -","- C76 H64 Br32 Cl8 -","4","1","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.1117","0.0553","","","0.1134","0.1334","","","","","","1.025","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025787","6.5274","0.0006","14.3878","0.0015","18.4199","0.0019","83.73","0.005","85.515","0.005","87.424","0.005","1713.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,5-Bis-(2,2'-dibromocyclopropyl)-2,4-divinylnenzene","","- C16 H14 Br4 -","- C16 H14 Br4 -","- C64 H56 Br16 -","4","2","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.1469","0.0604","","","0.1264","0.1656","","","","","","0.963","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025788","10.03528","0.00018","10.64666","0.00019","10.7691","0.00019","101.516","0.0007","102.352","0.0007","101.818","0.0007","1063.88","0.03","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Cl4 N4 O8 -","- C44 H46 Cl4 N4 O8 -","- C44 H46 Cl4 N4 O8 -","1","0.5","","Satoshi D. Ohmura; Toshiyuki Moriuchi; Toshikazu Hirao","Chirality Organization of Aniline Oligomers through Hydrogen Bonds of Amino Acid Moieties","Journal of Organic Chemistry","2010","75","","7909","7912","10.1021/jo100853b","","","1.54187","CuKα","","","0.0512","","","","0.2205","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025789","8.03011","0.00017","10.2142","0.0002","11.2028","0.0002","62.556","0.001","71.544","0.0012","68.941","0.0011","748.24","0.03","277.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N4 O4 -","- C36 H34 N4 O4 -","- C36 H34 N4 O4 -","1","0.5","","Satoshi D. Ohmura; Toshiyuki Moriuchi; Toshikazu Hirao","Chirality Organization of Aniline Oligomers through Hydrogen Bonds of Amino Acid Moieties","Journal of Organic Chemistry","2010","75","","7909","7912","10.1021/jo100853b","","","1.54187","CuKα","","","0.0378","","","","0.1106","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025790","13.4185","0.0005","5.6716","0.0003","13.7167","0.0006","90","","98.008","0.003","90","","1033.72","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Cl F N O3 S -","- C9 H7 Cl F N O3 S -","- C36 H28 Cl4 F4 N4 O12 S4 -","4","1","","Dale F. Shellhamer; Kevyn J. Davenport; Danielle M. Hassler; Kelli R. Hickle; Jacob J. Thorpe; David J. Vandenbroek; Victor L. Heasley; Jerry A. Boatz; Arnold L. Reingold; Curtis E. Moore","Reaction of Chlorosulfonyl Isocyanate with Fluorosubstituted Alkenes: Evidence of a Concerted Pathway","Journal of Organic Chemistry","2010","75","","7913","7916","10.1021/jo101240s","","","1.54178","CuKα","","0.0319","0.0287","","","0.0731","0.0748","","","","","","1.042","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025791","14.106","0.016","15.139","0.011","16.168","0.013","90","","90","","90","","3453","5","296.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C184 H152 N8 O16 -","8","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0359","","","","0.0433","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025792","9.867","0.008","8.666","0.006","11.827","0.012","90","","94.43","0.04","90","","1008.3","1.5","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0496","","","","0.0689","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025793","15.149","0.012","5.442","0.006","24.33","0.02","90","","99.7","0.03","90","","1977","3","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0361","","","","0.0471","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025794","13.709","0.018","15.467","0.016","16.491","0.019","90","","109.67","0.04","90","","3293","7","293.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 Cl N3 O6 -","- C37 H33 Cl N3 O6 -","- C148 H132 Cl4 N12 O24 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoKα","","","0.0506","","","","0.0644","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025795","15.523","0.003","7.8698","0.0014","19.165","0.004","90","","90.82","0.005","90","","2341","0.8","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O6 -","- C27 H25 N O6 -","- C108 H100 N4 O24 -","4","2","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.1","0.0689","","","0.1069","0.1175","","","","","","1.115","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025796","8.887","0.0001","15.7792","0.0002","30.4344","0.0003","90","","90","","90","","4267.81","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C184 H144 N32 O32 -","8","2","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.11","0.0587","","","0.1034","0.1229","","","","","","1.073","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025797","6.6102","0.0001","13.5015","0.0001","30.8313","0.0001","90","","90","","90","","2751.62","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O4 S Si -","- C27 H32 N2 O4 S Si -","- C108 H128 N8 O16 S4 Si4 -","4","1","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.0637","0.0437","","","0.0887","0.0973","","","","","","1.061","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025798","8.863","0.005","9.876","0.005","20.426","0.013","90","","90","","90","","1787.9","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 F N O5 S2 -","- C14 H22 F N O5 S2 -","- C56 H88 F4 N4 O20 S8 -","4","1","","Emmanuelle Drège; Anaïs Guillaume; Nadjia Boukhedimi; Jérôme Marrot; Claire Troufflard; Marie-Elise Tran Huu-Dau; Delphine Joseph; Sandrine Delarue-Cochin","A Facile and Stereocontrolled Synthesis of γ-Substituted γ-Fluoroglutamates by Conjugate Addition: Conflicting Effect between Fluorinated Enaminoester and Hinderered Michael Acceptor","Journal of Organic Chemistry","2010","75","","7596","7604","10.1021/jo101417c","","","0.71073","MoKα","","0.0246","0.0243","","","0.0652","0.0654","","","","","","1.125","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025799","10.6747","0.0003","9.6224","0.0003","11.8546","0.0004","90","","110.4","0.002","90","","1141.29","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H30 F N O7 S2 -","- C19 H30 F N O7 S2 -","- C38 H60 F2 N2 O14 S4 -","2","1","","Emmanuelle Drège; Anaïs Guillaume; Nadjia Boukhedimi; Jérôme Marrot; Claire Troufflard; Marie-Elise Tran Huu-Dau; Delphine Joseph; Sandrine Delarue-Cochin","A Facile and Stereocontrolled Synthesis of γ-Substituted γ-Fluoroglutamates by Conjugate Addition: Conflicting Effect between Fluorinated Enaminoester and Hinderered Michael Acceptor","Journal of Organic Chemistry","2010","75","","7596","7604","10.1021/jo101417c","","","0.71073","MoKα","","0.1174","0.1021","","","0.2312","0.2498","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025800","5.8322","0.0002","8.7537","0.0003","25.9759","0.0008","90","","91.052","0.002","90","","1325.93","0.08","193","2","193","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H42 N4 O3 -","- C26 H42 N4 O3 -","- C52 H84 N8 O6 -","2","1","","Arnaud Rives; Sonia Ladeira; Thierry Levade; Nathalie Andrieu-Abadie; Yves Génisson","Synthesis of Cytotoxic Aza Analogues of Jaspine B","Journal of Organic Chemistry","2010","75","","7920","7923","10.1021/jo1014239","","x-ray","0.71073","MoKα","","0.0852","0.0516","","","0.102","0.1215","","","","","","1.029","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025801","5.5521","0.0002","9.2327","0.0003","44.9351","0.0014","90","","90","","90","","2303.41","0.13","193","2","193","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N O -","- C25 H41 N O -","- C100 H164 N4 O4 -","4","1","","Arnaud Rives; Sonia Ladeira; Thierry Levade; Nathalie Andrieu-Abadie; Yves Génisson","Synthesis of Cytotoxic Aza Analogues of Jaspine B","Journal of Organic Chemistry","2010","75","","7920","7923","10.1021/jo1014239","","x-ray","0.71073","MoKα","","0.0669","0.0457","","","0.0922","0.1022","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025802","15.082","0.007","9.455","0.004","28.43","0.013","90","","96.237","0.01","90","","4030","3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl N2 O3 -","- C24 H21 Cl N2 O3 -","- C192 H168 Cl8 N16 O24 -","8","2","","Li-Rong Wen; Chao Liu; Ming Li; Li-Juan Wang","Modulating the Reactivity of Heterocyclic Ketene Aminals in MCR: Selective Construction of Tetrahydrobenzo[b]imidazo[3,2,1-ij][1,8]naphthyridines","Journal of Organic Chemistry","2010","75","","7605","7614","10.1021/jo101454q","","","0.71073","MoKα","","0.1628","0.0632","","","0.1323","0.1757","","","","","","0.985","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025803","6.644","0.0005","7.6383","0.0005","21.5272","0.0015","90","","90","","90","","1092.48","0.13","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Hisao Saneyoshi; Jeffrey R. Deschamps; Victor E. Marquez","Synthesis of Conformationally Locked l-Deoxythreosyl Phosphonate Nucleosides Built on a Bicyclo[3.1.0]hexane Template","Journal of Organic Chemistry","2010","75","","7659","7669","10.1021/jo101475p","","","0.71073","MoKα","","0.0354","0.0333","","","0.0879","0.0895","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025804","29.496","0.006","8.2267","0.0018","10.584","0.002","90","","108.523","0.005","90","","2435.2","0.9","144","2","144","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H15 N5 O2 -","- C11 H15 N5 O2 -","- C88 H120 N40 O16 -","8","2","","Hisao Saneyoshi; Jeffrey R. Deschamps; Victor E. Marquez","Synthesis of Conformationally Locked l-Deoxythreosyl Phosphonate Nucleosides Built on a Bicyclo[3.1.0]hexane Template","Journal of Organic Chemistry","2010","75","","7659","7669","10.1021/jo101475p","","","0.71073","MoKα","","0.0959","0.0757","","","0.2187","0.2388","","","","","","1.166","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025805","6.436","0.002","7.537","0.002","7.554","0.003","71.507","0.007","87.585","0.007","71.475","0.008","328.8","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C16 H20 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.0522","0.0404","","","0.0982","0.1047","","","","","","1.048","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025806","6.849","0.002","8.04","0.003","8.248","0.004","70.981","0.009","67.81","0.01","68.179","0.012","381.2","0.3","233","2","233","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C18 H24 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71069","MoKα","","0.0766","0.072","","","0.1707","0.1734","","","","","","1.559","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025807","7.2003","0.0004","14.232","0.0012","8.4409","0.0005","90","","102.96","0.009","90","","842.94","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","1.5418","CuKα","","0.0467","0.0444","","","0.1178","0.1205","","","","","","1.101","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025808","7.2228","0.0004","9.2274","0.0006","9.3317","0.0006","63.944","0.003","89.954","0.004","89.959","0.003","558.73","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H40 O2 -","- C26 H40 O2 -","- C26 H40 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","1.54187","CuKα","","0.059","0.0463","","","0.1579","0.1898","","","","","","1.13","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025809","7.385","0.005","9.43","0.006","10.698","0.007","67.731","0.013","78.411","0.014","88.388","0.014","674.4","0.8","233","2","233","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C30 H48 O2 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.1064","0.0611","","","0.1562","0.1825","","","","","","1.014","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025810","9.2006","0.0002","8.5041","0.0002","8.6679","0.0002","90","","94.442","0.001","90","","676.16","0.03","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C32 H40 O4 -","2","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.0447","0.0344","","","0.0872","0.0932","","","","","","1.038","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025811","5.223","0.001","7.84","0.002","11.132","0.003","103.716","0.002","94.279","0.002","93.858","0.003","439.9","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","1.5418","CuKα","","0.0437","0.0404","","","0.1229","0.1262","","","","","","1.12","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025812","4.6101","0.0011","6.59","0.0015","27.733","0.007","93.316","0.009","94.533","0.008","104.598","0.0014","810.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","1","0.5","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71069","MoKα","","0.0643","0.0541","","","0.1534","0.1626","","","","","","1.075","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025813","41.893","0.002","6.8695","0.0003","8.4203","0.0003","90","","90.833","0.002","90","","2422.97","0.18","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O4 -","- C28 H34 N2 O4 -","- C112 H136 N8 O16 -","4","1","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71073","MoKα","","0.1232","0.0752","","","0.1224","0.1414","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025814","8.1677","0.0015","14.211","0.003","20.027","0.004","87","0.006","88.742","0.005","86.499","0.006","2316.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H70 N2 O6 -","- C52 H70 N2 O6 -","- C104 H140 N4 O12 -","2","1","","Paul M. Alvey; Joseph J. Reczek; Vincent Lynch; Brent L. Iverson","A Systematic Study of Thermochromic Aromatic Donor-Acceptor Materials","Journal of Organic Chemistry","2010","75","","7682","7690","10.1021/jo101498b","","","0.71075","MoKα","","0.2442","0.1347","","","0.2653","0.285","","","","","","1.701","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025815","9.795","0.003","8.172","0.003","10.466","0.003","90","","103.89","0.02","90","","813.3","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.1091","0.0591","","","0.0989","0.1145","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025816","9.829","0.003","15.776","0.003","10.514","0.002","90","","90","","90","","1630.3","0.7","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.096","0.0464","","","0.0865","0.1237","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025817","9.0258","0.0018","9.687","0.002","17.717","0.005","90","","90","","90","","1549","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.0701","0.0464","","","0.0896","0.108","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025818","7.8585","0.0014","10.2138","0.0015","10.977","0.0017","81.589","0.013","69.608","0.015","80.851","0.014","811.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 I N O2 -","- C19 H13 I N O2 -","- C38 H26 I2 N2 O4 -","2","1","","Akhilesh K. Verma; Vineeta Rustagi; Trapti Aggarwal; Amit P. Singh","Iodine-Mediated Solvent-Controlled Selective Electrophilic Cyclization and Oxidative Esterification ofo-Alkynyl Aldehydes: An Easy Access to Pyranoquinolines, Pyranoquinolinones, and Isocumarins","Journal of Organic Chemistry","2010","75","","7691","7703","10.1021/jo101526b","","","0.71073","MoKα","","0.0436","0.0354","","","0.0952","0.098","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025819","5.905","0.002","10.998","0.004","15.103","0.005","93.85","0.03","99.3","0.03","103.8","0.03","934.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 I N O2 -","- C22 H18 I N O2 -","- C44 H36 I2 N2 O4 -","2","1","","Akhilesh K. Verma; Vineeta Rustagi; Trapti Aggarwal; Amit P. Singh","Iodine-Mediated Solvent-Controlled Selective Electrophilic Cyclization and Oxidative Esterification ofo-Alkynyl Aldehydes: An Easy Access to Pyranoquinolines, Pyranoquinolinones, and Isocumarins","Journal of Organic Chemistry","2010","75","","7691","7703","10.1021/jo101526b","","","0.71073","MoKα","","0.0836","0.0673","","","0.1711","0.1806","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025820","7.9362","0.0004","12.0141","0.0006","12.061","0.0006","90","","90","","90","","1149.97","0.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl O P -","- C10 H14 Cl O P -","- C40 H56 Cl4 O4 P4 -","4","1","","Yongbo Zhou; Gang Wang; Yuta Saga; Ruwei Shen; Midori Goto; Yufen Zhao; Li-Biao Han","Stereospecific Halogenation of P(O)-H Bonds with Copper(II) Chloride Affording Optically Active Z1Z2P(O)Cl","Journal of Organic Chemistry","2010","75","","7924","7927","10.1021/jo101540d","","","0.71073","MoKα","","0.0265","0.0251","","","0.0744","0.0765","","","","","","0.868","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025821","8.6327","0.0007","9.9878","0.0009","13.1649","0.0012","69.017","0.008","79.403","0.007","83.563","0.007","1040.43","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N3 O5 S3 -","- C18 H19 N3 O5 S3 -","- C36 H38 N6 O10 S6 -","2","1","","Ganesh Chandra Nandi; Subhasis Samai; Maya Shankar Singh","Biginelli and Hantzsch-Type Reactions Leading to Highly Functionalized Dihydropyrimidinone, Thiocoumarin, and Pyridopyrimidinone Frameworks via Ring Annulation with β-Oxodithioesters","Journal of Organic Chemistry","2010","75","","7785","7795","10.1021/jo101572c","","","0.71073","MoKα","","0.1137","0.0638","","","0.1533","0.1721","","","","","","0.897","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025822","33.02","0.007","10.502","0.002","14.458","0.002","90","","115.11","0.02","90","","4539.9","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N4 O4 S2 -","- C23 H20 N4 O4 S2 -","- C184 H160 N32 O32 S16 -","8","1","","Ganesh Chandra Nandi; Subhasis Samai; Maya Shankar Singh","Biginelli and Hantzsch-Type Reactions Leading to Highly Functionalized Dihydropyrimidinone, Thiocoumarin, and Pyridopyrimidinone Frameworks via Ring Annulation with β-Oxodithioesters","Journal of Organic Chemistry","2010","75","","7785","7795","10.1021/jo101572c","","","0.71073","MoKα","","0.0915","0.051","","","0.1392","0.1525","","","","","","0.925","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025823","9.6645","0.0004","11.3513","0.0004","12.7583","0.0005","101.402","0.0016","104.983","0.0016","90.623","0.002","1322.54","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","2","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.1635","0.1331","","0.1712","0.1386","0.1344","","","","","","1.1043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025824","12.0044","0.0004","9.1663","0.0004","12.0881","0.0005","90","","92.713","0.0018","90","","1328.63","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.0647","0.0526","","0.1412","0.1349","0.1412","","","","","","0.9854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025825","12.1182","0.0002","10.2863","0.0002","15.4746","0.0003","90","","97.3039","0.0008","90","","1913.28","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.043","0.0365","","0.0895","0.0865","0.0895","","","","","","0.9888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025826","8.7549","0.0002","9.838","0.0003","14.0722","0.0005","85.2408","0.0011","83.4949","0.0012","66.4693","0.0013","1103.16","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.0632","0.0632","","0.1","0.1","0.1","","","","","","0.9639","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025827","10.1455","0.0001","8.4732","0.0001","24.9311","0.0004","90","","97.0646","0.0006","90","","2126.93","0.05","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson","One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates","Journal of Organic Chemistry","2010","75","","7745","7756","10.1021/jo101614f","","","0.71073","MoKα","","0.0865","0.0404","","0.0947","0.0462","0.0462","","","","","","1.1232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025828","9.9567","0.0003","15.2992","0.0005","16.3935","0.0005","90","","90","","90","","2497.21","0.13","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Ryan A. Altman; Bradley L. Nilsson; Larry E. Overman; Javier Read de Alaniz; Jason M. Rohde; Veronique Taupin","Total Synthesis of (+)-Nankakurines A and B and (\±)-5-epi-Nankakurine A","Journal of Organic Chemistry","2010","75","","7519","7534","10.1021/jo101619d","","","0.71073","MoKα","","0.0333","0.032","","","0.0851","0.0868","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025829","12.3116","0.0003","8.753","0.0002","17.0047","0.0004","90","","92.3122","0.0003","90","","1830.99","0.07","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl N2 -","- C21 H23 Cl N2 -","- C84 H92 Cl4 N8 -","4","1","","Karel Vervisch; Matthias D'hooghe; Karl W. Törnroos; Norbert De Kimpe","Synthesis of Stereodefined Piperidines from Aziridines and Their Transformation into Conformationally Constrained Amino Acids, Amino Alcohols and 2,7-Diazabicyclo[3.3.1]nonanes","Journal of Organic Chemistry","2010","75","","7734","7744","10.1021/jo101646u","","","0.71073","MoKα","","0.0365","0.0351","","","0.0976","0.0991","","","","","","1.043","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025830","6.0592","0.0002","9.4343","0.0003","14.8724","0.0005","103.031","0.001","92.865","0.001","95.327","0.001","822.49","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 Cl N2 -","- C20 H23 Cl N2 -","- C40 H46 Cl2 N4 -","2","1","","Karel Vervisch; Matthias D'hooghe; Karl W. Törnroos; Norbert De Kimpe","Synthesis of Stereodefined Piperidines from Aziridines and Their Transformation into Conformationally Constrained Amino Acids, Amino Alcohols and 2,7-Diazabicyclo[3.3.1]nonanes","Journal of Organic Chemistry","2010","75","","7734","7744","10.1021/jo101646u","","","0.71073","MoKα","","0.0578","0.0529","","","0.1395","0.1437","","","","","","1.038","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025831","10.5194","0.0003","12.451","0.0003","13.8791","0.0005","90","","99.069","0.001","90","","1795.12","0.09","100","2","100","2","","","","","","","synthesis as described","3","I 1 a 1","I -2ya","9","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.71073","MoKα","","0.0364","0.0315","","","0.0728","0.0753","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025832","26.634","0.0005","11.4521","0.0002","15.097","0.0003","90","","104.782","0.001","90","","4452.41","0.15","100","2","100","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 Au F6 N O4 P S2 -","- C14 H27 Au F6 N O4 P S2 -","- C112 H216 Au8 F48 N8 O32 P8 S16 -","8","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.7107","MoKα","","0.0239","0.0176","","","0.0362","0.0374","","","","","","1.079","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025833","9.417","0.0003","22.4201","0.0008","9.2632","0.0003","90","","113.168","0.002","90","","1798.02","0.11","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.71073","MoKα","","0.0591","0.0446","","","0.1135","0.1229","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025834","7.5332","0.0012","18.566","0.003","33.103","0.005","90","","90","","90","","4629.8","1.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C232 H216 N8 O32 -","8","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.7107","MoKα","","0.1325","0.0652","","","0.1312","0.1698","","","","","","1.016","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025835","9.9479","0.0015","15.727","0.002","19.8","0.003","90","","90","","90","","3097.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Andria M. Panagopoulos; Matthias Zeller; Daniel P. Becker","Synthesis of an ortho-Triazacyclophane:N,N',N''-Trimethyltribenzo-1,4,7-triazacyclononatriene","Journal of Organic Chemistry","2010","75","","7887","7892","10.1021/jo1017074","","","0.71073","MoKα","","0.0972","0.0521","","","0.1043","0.1191","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025836","8.4638","0.0011","9.5592","0.0013","10.0336","0.0014","63.026","0.001","77.877","0.002","71.216","0.002","682.97","0.16","87","2","87","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H7 Cl2 F N2 O3 -","- C14 H7 Cl2 F N2 O3 -","- C28 H14 Cl4 F2 N4 O6 -","2","1","","Nohemy A. Sorto; Marilyn M. Olmstead; Jared T. Shaw","Practical Synthesis of PC190723, an Inhibitor of the Bacterial Cell Division Protein FtsZ","Journal of Organic Chemistry","2010","75","","7946","7949","10.1021/jo101720y","","","0.71073","MoKα","","0.0327","0.0319","","","0.0865","0.0871","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025837","12.7197","0.0007","14.9537","0.0008","19.9989","0.0011","90","","90","","90","","3803.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C200 H152 N8 O24 -","8","2","","Lei Wang; Yu-Cheng Huang; Yang Liu; Hoong-Kun Fun; Yan Zhang; Jian-Hua Xu","Photoinduced [4 + 4], [4 + 2], and [2 + 2] Cycloadditions of o-Quinones with Oxazoles: Chemo-, Regio-, and Diastereoselectivity","Journal of Organic Chemistry","2010","75","","7757","7768","10.1021/jo101764f","","","0.71073","MoKα","","0.094","0.0606","","","0.1156","0.1282","","","","","","1.09","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025838","9.7928","0.0004","18.956","0.0009","19.1443","0.0009","105.263","0.001","95.153","0.001","103.847","0.001","3284.2","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C89 H60 N2 O11 -","- C89 H60 N2 O11 -","- C178 H120 N4 O22 -","2","1","","Lei Wang; Yu-Cheng Huang; Yang Liu; Hoong-Kun Fun; Yan Zhang; Jian-Hua Xu","Photoinduced [4 + 4], [4 + 2], and [2 + 2] Cycloadditions of o-Quinones with Oxazoles: Chemo-, Regio-, and Diastereoselectivity","Journal of Organic Chemistry","2010","75","","7757","7768","10.1021/jo101764f","","","0.71073","MoKα","","0.0857","0.0487","","","0.1214","0.1441","","","","","","1.026","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025839","7.464","0.0009","22.733","0.003","38.698","0.005","90","0.003","92.73","0.003","90","0.003","6558.8","1.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H23 Cl2 F29 N6 Pd -","- C78 H23 Cl2 F29 N6 Pd -","- C312 H92 Cl8 F116 N24 Pd4 -","4","1","","Tomohiro Higashino; Mitsunori Inoue; Atsuhiro Osuka","Singly N-Fused Möbius Aromatic [28]Hexaphyrins(1.1.1.1.1.1)","Journal of Organic Chemistry","2010","75","","7958","7961","10.1021/jo1018156","","","0.71069","MoKα","","0.141","0.081","","","0.1313","0.1464","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025840","16.0304","0.0016","16.9814","0.0017","22.096","0.002","90","","90","","90","","6014.9","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H83 N9 O12 S2 -","- C56 H77 N9 O12 S2 -","- C224 H308 N36 O48 S8 -","4","1","","Jason C. Kwan; Ranjala Ratnayake; Khalil A. Abboud; Valerie J. Paul; Hendrik Luesch","Grassypeptolides A-C, Cytotoxic Bis-thiazoline Containing Marine Cyclodepsipeptides","Journal of Organic Chemistry","2010","75","","8012","8023","10.1021/jo1013564","","","0.71073","MoKα","","0.1972","0.0571","","","0.0884","0.1156","","","","","","0.802","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025841","9.4292","0.001","14.338","0.0015","19.96","0.002","90","","91.711","0.003","90","","2697.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 N P2 -","- C33 H27 N P2 -","- C132 H108 N4 P8 -","4","1","","Raju Ghosh; Amitabha Sarkar","Bidentate P, N-P Ligand for Nickel-Catalyzed Cross-Coupling of Aryl or Benzyl Chlorides with ArMgX","Journal of Organic Chemistry","2010","75","","8283","8286","10.1021/jo1016458","","","0.71073","MoKα","","0.0508","0.0359","","","0.0844","0.091","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025842","9.9428","0.0016","15.4","0.002","9.9985","0.0017","90","","109.144","0.004","90","","1446.3","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H27 Cl2 N Ni P2 -","- C33 H27 Cl2 N Ni P2 -","- C66 H54 Cl4 N2 Ni2 P4 -","2","1","","Raju Ghosh; Amitabha Sarkar","Bidentate P, N-P Ligand for Nickel-Catalyzed Cross-Coupling of Aryl or Benzyl Chlorides with ArMgX","Journal of Organic Chemistry","2010","75","","8283","8286","10.1021/jo1016458","","","0.71073","MoKα","","0.0454","0.0379","","","0.0843","0.0881","","","","","","1.055","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025843","5.8081","0.0006","10.9082","0.001","8.2899","0.0008","90","","91.556","0.006","90","","525.02","0.09","291","2","291","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","perhydro-2,3,4a,6,7,8a-naphthalenehexol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","0.5","","Goverdhan Mehta; Saikat Sen","A Vicarious One-Pot Transformation of a Fluorocyclitol to a Polycyclitol: Observation of a Formal 4-Fold Axial-Equatorial Epimerization on a Conformationally Locked Scaffold","Journal of Organic Chemistry","2010","75","","8287","8290","10.1021/jo101660x","","","0.71073","MoKa","","0.0657","0.041","","","0.1006","0.1102","","","","","","0.973","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025844","16.9993","0.0006","9.6707","0.0003","21.5381","0.0007","90","","109.588","0.002","90","","3335.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40.75 H31.5 Cl1.5 N4 O0.25 -","- C40.75 H31.5 Cl1.5 N4 O0.25 -","- C163 H126 Cl6 N16 O -","4","1","","K. R. Justin Thomas; Payal Tyagi","Synthesis, Spectra, and Theoretical Investigations of the Triarylamines Based on 6H-Indolo[2,3-b]quinoxaline","Journal of Organic Chemistry","2010","75","","8100","8111","10.1021/jo1016663","","","0.71073","MoKα","","0.1156","0.0855","","","0.271","0.3063","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025845","27.083","0.003","5.8323","0.0007","34.23","0.004","90","","111.812","0.003","90","","5019.8","1","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 -","- C40 H24 -","- C320 H192 -","8","1","","Xiaojie Zhang; Xiaoxia Jiang; Kai Zhang; Lu Mao; Jing Luo; Chunyan Chi; Hardy Sze On Chan; Jishan Wu","Synthesis, Self-Assembly, and Charge Transporting Property of Contorted Tetrabenzocoronenes","Journal of Organic Chemistry","2010","75","","8069","8077","10.1021/jo101701k","","","0.71073","MoKα","","0.1214","0.0898","","","0.1906","0.2063","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025846","10.7924","0.0018","10.9938","0.0018","13.144","0.002","101.931","0.003","109.727","0.004","107.943","0.004","1309.8","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C72 H84 -","- C72 H84 -","- C72 H84 -","1","0.5","","Xiaojie Zhang; Xiaoxia Jiang; Kai Zhang; Lu Mao; Jing Luo; Chunyan Chi; Hardy Sze On Chan; Jishan Wu","Synthesis, Self-Assembly, and Charge Transporting Property of Contorted Tetrabenzocoronenes","Journal of Organic Chemistry","2010","75","","8069","8077","10.1021/jo101701k","","","0.71073","MoKα","","0.1486","0.0782","","","0.1896","0.2335","","","","","","0.971","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025847","5.6029","0.0001","8.2626","0.0002","30.1557","0.0008","90","","90","","90","","1396.04","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N -","- C18 H19 N -","- C72 H76 N4 -","4","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0473","0.038","","0.0885","0.0839","0.0885","","","","","","0.9929","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025848","7.1891","0.0002","7.212","0.0002","27.09","0.0009","90","","90","","90","","1404.56","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N -","- C18 H19 N -","- C72 H76 N4 -","4","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0837","0.0508","","0.1182","0.1069","0.1182","","","","","","0.9305","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025849","9.7315","0.0003","10.5112","0.0003","11.3814","0.0004","64.3905","0.0014","87.8962","0.0014","85.514","0.0015","1046.61","0.06","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C25 H26.5 Cl N O2 -","- C25 H26.5 Cl N O2 -","- C50 H53 Cl2 N2 O4 -","2","2","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.1095","0.0992","","0.094","0.0865","0.0838","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025850","9.3063","0.0002","9.0446","0.0002","14.3162","0.0003","90","","103.493","0.001","90","","1171.76","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0484","0.041","","0.1001","0.0959","0.1001","","","","","","0.9874","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025851","8.1254","0.0011","13.4757","0.0018","21.652","0.003","90","","90","","90","","2370.8","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O2 Si -","- C26 H31 N O2 Si -","- C104 H124 N4 O8 Si4 -","4","1","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.0584","0.0471","","","0.1131","0.1217","","","","","","1.039","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025852","7.1897","0.0009","10.0648","0.0012","29.034","0.004","90","","90","","90","","2101","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O3 Si -","- C24 H26 O3 Si -","- C96 H104 O12 Si4 -","4","1","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.0659","0.0571","","","0.1261","0.1298","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025853","11.975","0.003","16.248","0.004","21.172","0.006","90","","95.843","0.004","90","","4098","1.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C200 H216 N8 O16 -","8","2","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.2093","0.0869","","","0.172","0.2255","","","","","","0.961","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025854","9.2184","0.0018","12.314","0.003","18.222","0.004","90","","90","","90","","2068.5","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl2 N5 O -","- C20 H17 Cl2 N5 O -","- C80 H68 Cl8 N20 O4 -","4","1","","Jinbao Xiang; Tong Zhu; Qun Dang; Xu Bai","Stereochemistry as a Tool in Deciphering the Processes of a Tandem Iminium Cyclization and Smiles Rearrangement","Journal of Organic Chemistry","2010","75","","8147","8154","10.1021/jo101798p","","","0.71073","MoKα","","0.0709","0.0603","","","0.1775","0.2051","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025855","10.511","0.002","7.9696","0.0016","11.326","0.002","90","","106.79","0.03","90","","908.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl2 N5 -","- C19 H17 Cl2 N5 -","- C38 H34 Cl4 N10 -","2","1","","Jinbao Xiang; Tong Zhu; Qun Dang; Xu Bai","Stereochemistry as a Tool in Deciphering the Processes of a Tandem Iminium Cyclization and Smiles Rearrangement","Journal of Organic Chemistry","2010","75","","8147","8154","10.1021/jo101798p","","","0.71073","MoKα","","0.0776","0.068","","","0.2058","0.2158","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025856","7.7699","0.0004","4.7912","0.0003","32.413","0.0018","90","","96.533","0.003","90","","1198.81","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I O4 -","- C14 H9 I O4 -","- C56 H36 I4 O16 -","4","1","","Quan Zhou; Barry B. Snider","Synthesis of Hexacyclic Parnafungin A and C Models","Journal of Organic Chemistry","2010","75","","8224","8233","10.1021/jo101826p","","","0.71073","MoKα","","0.0677","0.0593","","0.1234","0.121","0.1234","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025857","4.7205","0.0003","11.9607","0.0007","24.1144","0.0012","90","","90","","90","","1361.51","0.14","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2,7-difluoro-2-(5-oxo-5H-chromeno[2,3-b]pyridin-2-yl)acetate","","- C16 H11 F2 N O4 -","- C16 H11 F2 N O4 -","- C64 H44 F8 N4 O16 -","4","1","","Muhammad Farooq Ibad; Obaid-Ur-Rahman Abid; Muhammad Adeel; Muhammad Nawaz; Verena Wolf; Alexander Villinger; Peter Langer","Synthesis of Highly Functionalized Biaryls by Condensation of 2-Fluoro-1,3-bis(silyloxy) 1,3-Dienes with 3-Cyanochromones and Subsequent Domino ""Retro-Michael/Aldol/Fragmentation""","Journal of Organic Chemistry","2010","75","","8315","8318","10.1021/jo1018443","","","0.71073","MoKα","","0.1035","0.0654","","","0.1044","0.1132","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025858","21.194","0.018","8.813","0.007","22.075","0.019","90","","109.443","0.016","90","","3888","6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-butyl-4-cyano-2-fluoro-3-5-chloro-(2-ethoxycarbonyloxy)-phenole","","- C20 H19 Cl F N O4 -","- C20 H19 Cl F N O4 -","- C160 H152 Cl8 F8 N8 O32 -","8","2","","Muhammad Farooq Ibad; Obaid-Ur-Rahman Abid; Muhammad Adeel; Muhammad Nawaz; Verena Wolf; Alexander Villinger; Peter Langer","Synthesis of Highly Functionalized Biaryls by Condensation of 2-Fluoro-1,3-bis(silyloxy) 1,3-Dienes with 3-Cyanochromones and Subsequent Domino ""Retro-Michael/Aldol/Fragmentation""","Journal of Organic Chemistry","2010","75","","8315","8318","10.1021/jo1018443","","","0.71073","MoKα","","0.0935","0.0517","","","0.1357","0.151","","","","","","1.056","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025859","16.805","0.005","7.535","0.002","14.901","0.005","90","","111.354","0.004","90","","1757.3","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O2 S -","- C21 H20 O2 S -","- C84 H80 O8 S4 -","4","1","","Uzma I. Zakai; Anna Błoch-Mechkour; Neil E. Jacobsen; Leif Abrell; Guangxin Lin; Gary S. Nichol; Thomas Bally; Richard S. Glass","Synthesis and Structure of m-Terphenyl Thio-, Seleno-, and Telluroethers","Journal of Organic Chemistry","2010","75","","8363","8371","10.1021/jo101299x","","","0.71073","MoKα","","0.0781","0.0389","","","0.0738","0.0947","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025860","10.6284","0.001","18.8101","0.0013","19.028","0.0013","85.971","0.006","83.455","0.007","89.366","0.007","3770","0.5","150","","150","","","","101","","","","","5","P -1","-P 1","2","","4,10,24-Trinitro-25,26,27,28-tetrapropoxythiacalix[4]arene 1,3-alternate","","- C36 H37 N3 O10 S4 -","- C36 H37 N3 O10 S4 -","- C144 H148 N12 O40 S16 -","4","2","","Ondrej Kundrat; Jan Kroupa; Stanislav Böhm; Jan Budka; Vaclav Eigner; Pavel Lhotak","Meta Nitration of Thiacalixarenes","Journal of Organic Chemistry","2010","75","","8372","8375","10.1021/jo1013492","","","1.54184","CuKα","","0.1297","0.08","","0.2453","0.2096","0.2453","","","","","","0.9023","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025861","10.24","0.001","21.3709","0.0014","16.9596","0.0011","90","","90","","90","","3711.4","0.5","150","","150","","","","101","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,18-Dinitro-25,26,27,28-tetrapropoxythiacalix[4]arene 1,3-alternate","","- C36 H38 N2 O8 S4 -","- C36 H38 N2 O8 S4 -","- C144 H152 N8 O32 S16 -","4","1","","Ondrej Kundrat; Jan Kroupa; Stanislav Böhm; Jan Budka; Vaclav Eigner; Pavel Lhotak","Meta Nitration of Thiacalixarenes","Journal of Organic Chemistry","2010","75","","8372","8375","10.1021/jo1013492","","","1.5418","CuKα","","0.0946","0.0896","","0.2361","0.23","0.2361","","","","","","0.9463","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025862","25.967","0.012","10.7286","0.0014","21.041","0.009","90","","131.17","0.07","90","","4413","6","150","","150","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","4,16-Dinitro-25,26,27,28-tetrapropoxythiacalix[4]arene 1,3-alternate","","- C42 H50 N2 O10 S4 -","- C42 H50 N2 O10 S4 -","- C168 H200 N8 O40 S16 -","4","0.5","","Ondrej Kundrat; Jan Kroupa; Stanislav Böhm; Jan Budka; Vaclav Eigner; Pavel Lhotak","Meta Nitration of Thiacalixarenes","Journal of Organic Chemistry","2010","75","","8372","8375","10.1021/jo1013492","","","1.5418","CuKα","","0.094","0.0683","","0.1037","0.0771","0.0771","","","","","","1.0876","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025863","18.5439","0.0017","8.3721","0.0008","21.282","0.002","90","","90","","90","","3304.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H19 N5 O4 S -","- C15 H19 N5 O4 S -","- C120 H152 N40 O32 S8 -","8","1","","Larissa B. Krasnova; Jason E. Hein; Valery V. Fokin","Synthesis of 7-Aza-5-deazapurine Analogues via Copper(I)-Catalyzed Hydroamination of Alkynes and 1-Iodoalkynes","Journal of Organic Chemistry","2010","75","","8662","8665","10.1021/jo1016376","","","0.71073","MoKα","","0.0388","0.0362","","","0.0966","0.0993","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025864","5.5727","0.0012","13.436","0.003","23.627","0.005","90","","92.485","0.007","90","","1767.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I N5 O5 S -","- C14 H18 I N5 O5 S -","- C56 H72 I4 N20 O20 S4 -","4","1","","Larissa B. Krasnova; Jason E. Hein; Valery V. Fokin","Synthesis of 7-Aza-5-deazapurine Analogues via Copper(I)-Catalyzed Hydroamination of Alkynes and 1-Iodoalkynes","Journal of Organic Chemistry","2010","75","","8662","8665","10.1021/jo1016376","","","0.71073","MoKα","","0.0757","0.045","","","0.0768","0.087","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025865","10.195","0.002","12.572","0.003","13.12","0.003","89.811","0.004","68.309","0.003","72.842","0.004","1482.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-(2-iodylphenyl)-2-methylpropanoic acid","Pseudocyclic IBX Acid1","","- C12 H12 F3 I O6 -","- C12 H12 F3 I O6 -","- C48 H48 F12 I4 O24 -","4","2","","Jarugu Narasimha Moorthy; Kalyan Senapati; Keshaba Nanda Parida","6-Membered Pseudocyclic IBX Acids: Syntheses, X-ray Structural Characterizations, and Oxidation Reactivities in Common Organic Solvents","Journal of Organic Chemistry","2010","75","","8416","8421","10.1021/jo101639j","","","0.71073","MoKα","","0.0325","0.0287","","","0.0758","0.0789","","","","","","1.064","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025866","18.283","0.004","18.283","0.004","7.148","0.002","90","","90","","90","","2389.3","1","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","2-ethyl-2-(2-iodylphenyl)butanoic acid","Pseudocyclic IBX Acid2","","- C12 H15 I O4 -","- C12 H15 I O4 -","- C96 H120 I8 O32 -","8","1","","Jarugu Narasimha Moorthy; Kalyan Senapati; Keshaba Nanda Parida","6-Membered Pseudocyclic IBX Acids: Syntheses, X-ray Structural Characterizations, and Oxidation Reactivities in Common Organic Solvents","Journal of Organic Chemistry","2010","75","","8416","8421","10.1021/jo101639j","","","0.71073","MoKα","","0.0594","0.0435","","","0.088","0.118","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025867","9.5928","0.00018","9.33221","0.00017","11.7332","0.0003","90","","97.7632","0.0019","90","","1040.75","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Fangxi Xu; Dan Huang; Chao Han; Wei Shen; Xufeng Lin; Yanguang Wang","SPINOL-Derived Phosphoric Acids: Synthesis and Application in Enantioselective Friedel-Crafts Reaction of Indoles with Imines","Journal of Organic Chemistry","2010","75","","8677","8680","10.1021/jo101640z","","","1.54184","CuKα","","0.04","0.0353","","","0.0886","0.0939","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025868","5.8952","0.0002","10.8623","0.0006","17.4689","0.0008","88.961","0.004","81.329","0.004","87.944","0.004","1105.04","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H31 Cl3 O4 -","- C21 H31 Cl3 O4 -","- C42 H62 Cl6 O8 -","2","2","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","1.54184","CuKα","","0.0995","0.0938","","","0.272","0.295","","","","","","1.41","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025869","11.9009","0.0019","21.48","0.003","29.011","0.005","90","","90","","90","","7416","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C320 H480 O64 -","16","4","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0924","0.0884","","","0.176","0.178","","","","","","1.28","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025870","14.4022","0.0013","14.4022","0.0013","9.5546","0.0016","90","","90","","90","","1981.8","0.4","150","2","150","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","0.5","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0378","0.0373","","","0.0978","0.0983","","","","","","1.148","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025871","5.9089","0.0015","17.868","0.005","10.642","0.003","90","","97.847","0.004","90","","1113.1","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl3 O4 -","- C21 H31 Cl3 O4 -","- C42 H62 Cl6 O8 -","2","1","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0982","0.0757","","","0.176","0.1874","","","","","","1.038","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025872","7.2634","0.0004","11.5796","0.0006","13.9766","0.0007","109.372","0.001","94.344","0.001","99.475","0.001","1083.07","0.1","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C50 H60 O12 -","2","1","","Hui-Jing Li; Régis Guillot; Vincent Gandon","A Gallium-Catalyzed Cycloisomerization/Friedel-Crafts Tandem","Journal of Organic Chemistry","2010","75","","8435","8449","10.1021/jo101709n","","x-ray","0.71073","MoKα","","0.0439","0.0382","","","0.1047","0.1094","","","","","","1.029","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025873","13.908","0.0011","11.9265","0.0009","14.027","0.0011","90","","110.459","0.002","90","","2179.9","0.3","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 O5 -","- C25 H30 O5 -","- C100 H120 O20 -","4","1","","Hui-Jing Li; Régis Guillot; Vincent Gandon","A Gallium-Catalyzed Cycloisomerization/Friedel-Crafts Tandem","Journal of Organic Chemistry","2010","75","","8435","8449","10.1021/jo101709n","","x-ray","0.71073","MoKα","","0.0664","0.0455","","","0.1192","0.1328","","","","","","1.027","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025874","13.3258","0.0007","18.9082","0.0009","29.0052","0.0015","90","","90","","90","","7308.4","0.6","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C320 H368 N48 O16 -","16","2","","Lisa M. Jordan; Paul D. Boyle; Andrew L. Sargent; William E. Allen","Binding of Carboxylic Acids by Fluorescent Pyridyl Ureas","Journal of Organic Chemistry","2010","75","","8450","8456","10.1021/jo101730w","","","0.71073","MoKα","","0.1402","0.092","","","0.256","0.3037","","","","","","1.027","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025875","13.157","0.004","9.516","0.003","13.529","0.004","90","","111.001","0.005","90","","1581.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nitro galactose","","","- C34 H37 N O9 -","- C34 H37 N O9 -","- C68 H74 N2 O18 -","2","1","","Pavan K. Kancharla; Yashwant D. Vankar","Chemistry of 2-Nitroglycals: A One-Pot Three-Component Stereoselective Approach toward 2-C-Branched O-Galactosides","Journal of Organic Chemistry","2010","75","","8457","8464","10.1021/jo101735u","","","0.71073","MoKα","","0.0798","0.0625","","","0.1467","0.1618","","","","","","0.954","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025876","10.727","0.0007","13.219","0.0006","14.03","0.0009","91.009","0.003","93.458","0.003","102.291","0.003","1939.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 Br O3 -","- C20 H30 Br O3 -","- C80 H120 Br4 O12 -","4","2","","Karol Michalak; Michał Michalak; Jerzy Wicha","Construction of the Tricyclic 5-7-6 Scaffold of Fungi-Derived Diterpenoids. Total Synthesis of (\±)-Heptemerone G and an Approach to Danishefsky's Intermediate for Guanacastepene A Synthesis","Journal of Organic Chemistry","2010","75","","8337","8350","10.1021/jo101758t","","","0.71073","MoKα","","0.0897","0.0777","","","0.1855","0.1891","","","","","","1.258","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025877","5.6144","0.0007","10.0973","0.0013","11.4889","0.0018","79.041","0.012","80.182","0.012","86.428","0.01","629.77","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N7 O S -","- C11 H11 N7 O S -","- C22 H22 N14 O2 S2 -","2","1","","Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev","Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines","Journal of Organic Chemistry","2010","75","","8487","8497","10.1021/jo1017876","","","0.71073","MoKα","","0.0668","0.05","","","0.1321","0.1414","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025878","7.0702","0.0004","5.6183","0.0002","13.1708","0.0008","90","","99.457","0.005","90","","516.07","0.05","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 N5 -","- C4 H3 N5 -","- C16 H12 N20 -","4","1","","Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev","Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines","Journal of Organic Chemistry","2010","75","","8487","8497","10.1021/jo1017876","","","0.71073","MoKα","","0.0424","0.0338","","","0.0993","0.1045","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025879","5.2462","0.0004","9.242","0.0006","10.221","0.0006","88.875","0.005","81.197","0.006","87.307","0.006","489.15","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 N7 O3 -","- C6 H9 N7 O3 -","- C12 H18 N14 O6 -","2","1","","Sergey L. Deev; Zakhar O. Shenkarev; Tatyana S. Shestakova; Oleg N. Chupakhin; Vladimir L. Rusinov; Alexander S. Arseniev","Selective 15N-Labeling and Analysis of 13C-15N J Couplings as an Effective Tool for Studying the Structure and Azide-Tetrazole Equilibrium in a Series of Tetrazolo[1,5-b][1,2,4]triazines and Tetrazolo[1,5-a]pyrimidines","Journal of Organic Chemistry","2010","75","","8487","8497","10.1021/jo1017876","","","0.71073","MoKα","","0.0467","0.0328","","","0.0899","0.0958","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025880","11.529","0.005","12.016","0.005","16.731","0.007","90","","109.697","0.007","90","","2182.2","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Fe N4 O6.55 -","- C22 H22 Fe N4 O6.55 -","- C88 H88 Fe4 N16 O26.2 -","4","1","","Amit N. Patwa; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Bis(thymine/uracil) Conjugates: Base Pairing Directed, Spacer Dependent Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2010","75","","8705","8708","10.1021/jo101813z","","","0.71073","MoKα","","0.0465","0.0389","","","0.0938","0.0977","","","","","","1.257","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025881","12.917","0.01","6.74","0.005","25.088","0.016","90","","119.87","0.03","90","","1894","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N4 O4 -","- C20 H18 Fe N4 O4 -","- C80 H72 Fe4 N16 O16 -","4","1","","Amit N. Patwa; Rajesh G. Gonnade; Vaijayanti A. Kumar; Mohan M. Bhadbhade; Krishna N. Ganesh","Ferrocene-Bis(thymine/uracil) Conjugates: Base Pairing Directed, Spacer Dependent Self-Assembly and Supramolecular Packing","Journal of Organic Chemistry","2010","75","","8705","8708","10.1021/jo101813z","","","0.71073","MoKα","","0.0666","0.0503","","","0.1145","0.1319","","","","","","1.064","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025882","6.2963","0.0009","14.3075","0.0019","21.551","0.003","90","","90","","90","","1941.4","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 Br N O4 -","- C24 H16 Br N O4 -","- C96 H64 Br4 N4 O16 -","4","1","","Xin Li; Shenshen Hu; Zhiguo Xi; Long Zhang; Sanzhong Luo; Jin-Pei Cheng","Chiral Amine Thiourea-Promoted Enantioselective Michael Addition Reactions of 3-Substituted Benzofuran-2(3H)-ones to Maleimides","Journal of Organic Chemistry","2010","75","","8697","8700","10.1021/jo101832e","","","0.71073","MoKα","","0.0369","0.0344","","","0.0685","0.0696","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025883","42.448","0.006","9.5441","0.0013","11.4778","0.0016","90","","90.882","0.002","90","","4649.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 O2 Si2 -","- C24 H30 O2 Si2 -","- C192 H240 O16 Si16 -","8","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0861","0.0588","","","0.0748","0.079","","","","","","2.253","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025884","42.704","0.006","5.916","0.0008","24.266","0.003","90","","123.216","0.002","90","","5128.8","1.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 O2 -","- C32 H26 O2 -","- C256 H208 O16 -","8","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0593","0.0439","","","0.1163","0.1243","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025885","8.591","0.0003","17.3404","0.0005","11.6781","0.0003","90","","109.251","0.002","90","","1642.42","0.09","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0239","0.0211","","","0.0409","0.0425","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025886","5.889","0.0002","12.0381","0.0004","14.7561","0.0005","90","","94.825","0.002","90","","1042.39","0.06","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C60 H44 O4 -","2","1","","Runa Pal; Ronald J. Clark; Mariappan Manoharan; Igor V. Alabugin","Fast Oxy-Cope Rearrangements of Bis-alkynes: Competition with Central C-C Bond Fragmentation and Incorporation in Tunable Cascades Diverging from a Common Bis-allenic Intermediate","Journal of Organic Chemistry","2010","75","","8689","8692","10.1021/jo101838a","","","0.71073","MoKα","","0.0338","0.0302","","","0.0455","0.0459","","","","","","2.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025887","5.7277","0.0008","14.2042","0.0018","16.811","0.002","90","","93.6141","0.0018","90","","1365","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-benzyl-4-(phenylethynyl)-4,5-dihydro-1H-1,2,3-triazole","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0609","0.0409","","","0.1032","0.1147","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025888","9.933","0.001","5.7873","0.0006","23.287","0.002","90","","101.418","0.0014","90","","1312.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-benzyl-4-(2-thienylethynyl)-1H-1,2,3-triazole","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C60 H44 N12 S4 -","4","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0556","0.0456","","","0.1137","0.1209","","","","","","1.063","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025889","9.1938","0.0009","5.6198","0.0006","14.7114","0.0014","90","","102.669","0.0014","90","","741.59","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-benzyl-4-({4-methoxyphenyl}ethynyl)-4,5-dihydro-1H-1,2,3-triazole","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0335","0.0303","","","0.0773","0.0792","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025890","5.7566","0.0011","7.9092","0.0015","18.846","0.004","90","","90.312","0.003","90","","858","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0673","0.0532","","","0.1313","0.1431","","","","","","1.056","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025891","45.3","0.008","10.171","0.0017","13.213","0.002","90","","99.865","0.005","90","","5997.8","1.7","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H33 N3 O Si -","- C34 H33 N3 O Si -","- C272 H264 N24 O8 Si8 -","8","2","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0754","0.0436","","","0.0885","0.0956","","","","","","0.869","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025892","7.8486","0.0008","8.8827","0.0009","12.1321","0.0013","70.6508","0.0019","79.5467","0.0019","68.0695","0.0019","738.68","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenylprop-2-yn-1-one","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C36 H26 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0771","0.0428","","","0.1029","0.1208","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025893","6.3632","0.0008","7.9519","0.0009","15.1874","0.0018","102.356","0.0018","95.3363","0.0018","91.0645","0.0018","746.84","0.15","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","1-benzyl-4-(4-phenylbuta-1,3-diyn-1-yl)-4,5-dihydro-1H-1,2,3-triazole","","- C19 H13 N3 -","- C19 H13 N3 -","- C38 H26 N6 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0678","0.0436","","","0.1142","0.1274","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025894","10.7789","0.001","5.6104","0.0005","14.1828","0.0013","90","","108.653","0.0013","90","","812.64","0.13","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C40 H30 N6 O2 -","2","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0343","0.0306","","","0.0789","0.0817","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025895","10.8926","0.001","20.067","0.0019","7.3933","0.0007","90","","90","","90","","1616","0.3","193","2","193","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H13 N3 -","- C21 H13 N3 -","- C84 H52 N12 -","4","1","","Thanh Luu; Boris J. Medos; Erin R. Graham; Danielle M. Vallee; Robert McDonald; Michael J. Ferguson; Rik R. Tykwinski","Reactions of Terminal Polyynes with Benzyl Azide","Journal of Organic Chemistry","2010","75","","8498","8507","10.1021/jo101870y","","","0.71073","MoKα","","0.0412","0.0332","","","0.0902","0.107","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025896","13.0183","0.0007","13.0356","0.0006","15.9224","0.0007","90","","98.662","0.003","90","","2671.2","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C144 H96 O32 -","8","2","","Myron M. Johnson; Jeremy M. Naidoo; Manuel A. Fernandes; Edwin M. Mmutlane; Willem A. L. van Otterlo; Charles B. de Koning","CAN-Mediated Oxidations for the Synthesis of Xanthones and Related Products","Journal of Organic Chemistry","2010","75","","8701","8704","10.1021/jo101873v","","","0.71073","MoKα","","0.1306","0.0789","","","0.1979","0.2383","","","","","","0.983","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025897","4.7765","0.0002","14.228","0.0005","15.4365","0.0006","90","","93.426","0.002","90","","1047.19","0.07","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Myron M. Johnson; Jeremy M. Naidoo; Manuel A. Fernandes; Edwin M. Mmutlane; Willem A. L. van Otterlo; Charles B. de Koning","CAN-Mediated Oxidations for the Synthesis of Xanthones and Related Products","Journal of Organic Chemistry","2010","75","","8701","8704","10.1021/jo101873v","","","0.71073","MoKα","","0.0695","0.0466","","","0.107","0.1176","","","","","","1.026","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4025898","5.2102","0.0003","30.1686","0.0016","8.4028","0.0005","90","","94.569","0.004","90","","1316.59","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl O5 -","- C15 H11 Cl O5 -","- C60 H44 Cl4 O20 -","4","1","","Myron M. Johnson; Jeremy M. Naidoo; Manuel A. Fernandes; Edwin M. Mmutlane; Willem A. L. van Otterlo; Charles B. de Koning","CAN-Mediated Oxidations for the Synthesis of Xanthones and Related Products","Journal of Organic Chemistry","2010","75","","8701","8704","10.1021/jo101873v","","","0.71073","MoKα","","0.0927","0.0479","","","0.0886","0.1029","","","","","","1.039","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4025899","11.6971","0.0013","14.5521","0.0015","17.317","0.002","90","","95.522","0.002","90","","2934","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl2 N O4 -","- C33 H29 Cl2 N O4 -","- C132 H116 Cl8 N4 O16 -","4","1","","Ming Li; Yan-Li Hou; Li-Rong Wen; Fu-Meng Gong","Reactivity of Functionalized N,S-Ketene Acetal: Regioselective Construction of Tetrahydrobenzo[b]pyran and Chromeno[2,3-b]quinoline Derivatives","Journal of Organic Chemistry","2010","75","","8522","8532","10.1021/jo101902z","","","0.71073","MoKα","","0.1718","0.0644","","","0.1443","0.1993","","","","","","1","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025900","14.248","0.002","13.968","0.002","9.2058","0.0014","90","","100.089","0.004","90","","1803.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N O3 S -","- C21 H18 N O3 S -","- C84 H72 N4 O12 S4 -","4","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0808","0.0592","","","0.1564","0.1717","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025901","10.7629","0.001","9.5687","0.0009","16.1405","0.0015","90","","104.848","0.002","90","","1606.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0753","0.0588","","","0.1622","0.1751","","","","","","0.981","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025902","18.1117","0.0013","8.9175","0.0006","21.5176","0.0016","90","","98.018","0.002","90","","3441.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0632","0.0517","","","0.1715","0.18","","","","","","1.321","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025903","11.0635","0.0007","14.2914","0.0009","12.9073","0.0009","90","","114.868","0.002","90","","1851.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0622","0.0427","","","0.1257","0.1442","","","","","","0.825","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025904","10.9224","0.0006","7.7301","0.0004","34.5866","0.0018","90","","90","","90","","2920.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0537","0.0365","","","0.1071","0.1216","","","","","","0.903","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025905","6.5771","0.0002","7.3843","0.0002","32.659","0.0008","90","","90","","90","","1586.16","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C64 H64 Cl4 N4 O16 -","4","1","","Li-Ping Fan; Ping Li; Xin-Sheng Li; Dong-Cheng Xu; Meng-Meng Ge; Wei-Dong Zhu; Jian-Wu Xie","Facile Domino Access to Chiral Mono-, Bi-, and Tricyclic 2,3-Dihydrofurans","Journal of Organic Chemistry","2010","75","","8716","8719","10.1021/jo101935k","","","0.71073","MoKα","","","0.0399","","","0.1034","0.1104","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025906","22.0833","0.001","7.095","0.0003","20.918","0.001","90","","119.36","0.006","90","","2856.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C120 H120 N8 O40 -","8","1","","Li-Ping Fan; Ping Li; Xin-Sheng Li; Dong-Cheng Xu; Meng-Meng Ge; Wei-Dong Zhu; Jian-Wu Xie","Facile Domino Access to Chiral Mono-, Bi-, and Tricyclic 2,3-Dihydrofurans","Journal of Organic Chemistry","2010","75","","8716","8719","10.1021/jo101935k","","","0.71073","MoKα","","","0.0431","","","0.1166","0.1283","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025907","10.064","0.008","10.526","0.008","11.221","0.008","64.673","0.009","87.338","0.01","67.624","0.01","983.8","1.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H20 F3 N3 O3 -","- C22 H20 F3 N3 O3 -","- C44 H40 F6 N6 O6 -","2","2","","Eric A. Voight; Jerome F. Daanen; Michael E. Kort","Synthesis of Oxazolo[4,5-c]quinoline TRPV1 Antagonists","Journal of Organic Chemistry","2010","75","","8713","8715","10.1021/jo101938b","","","0.71073","MoKα","","0.0565","0.0503","","","0.1309","0.1375","","","","","","1.027","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025908","8.05","0.001","39.185","0.011","11.293","0.002","90","","90","","90","","3562.3","1.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C34 H31 F12 N5 O2 P2 -","- C34 H31 F12 N5 O2 P2 -","- C136 H124 F48 N20 O8 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71069","MoKα","","0.135","0.0966","","","0.2203","0.2354","","","","","","1.081","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025909","19.223","0.001","10.223","0.001","13.931","0.001","90","","96.79","0.01","90","","2718.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N8 O8.5 -","- C27 H26 N8 O8.5 -","- C108 H104 N32 O34 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71073","MoKα","","0.1207","0.0582","","","0.1272","0.144","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025910","20.594","0.002","7.922","0.0008","21.032","0.0017","90","","112.425","0.004","90","","3171.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F12 N6 P2 -","- C30 H30 F12 N6 P2 -","- C120 H120 F48 N24 P8 -","4","1","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71073","MoKα","","0.1636","0.1008","","","0.183","0.2177","","","","","","1.122","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025911","20.603","0.007","23.48","0.01","8.922","0.003","90","","92.337","0.02","90","","4313","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 F12 N6 O2 P2 -","- C40 H46 F12 N6 O2 P2 -","- C160 H184 F48 N24 O8 P8 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71069","MoKα","","0.1863","0.1182","","","0.2811","0.3247","","","","","","1.076","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025912","7.4785","0.0016","33.557","0.007","10.974","0.002","90","","90","","90","","2754","1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H27 N7 O8 -","- C30 H28 N7 O8 -","- C120 H112 N28 O32 -","4","0.5","","Benjamin J. Coe; John Fielden; Simon P. Foxon; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Kurt De Mey; Bruce S. Brunschwig","Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores","Journal of Organic Chemistry","2010","75","","8550","8563","10.1021/jo101966r","","","0.71073","MoKα","","0.1015","0.084","","","0.1547","0.1613","","","","","","1.3","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025913","9.923","0.002","14.16","0.003","7.3443","0.0011","87.174","0.006","63.147","0.008","83.72","0.006","915.1","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","in paper 2n","","","- C44 H44 N2 S4 -","- C44 H44 N2 S4 -","- C44 H44 N2 S4 -","1","0.5","","Martina Hauck; Raluca Turdean; Karin Memminger; Jan Schönhaber; Frank Rominger; T. J. J. Müller","Luminescent, Redox-Active Diphenothiazine Dumbbells Expanded by Conjugated Arenes and Heteroarenes","Journal of Organic Chemistry","2010","75","","8591","8603","10.1021/jo101997t","","","0.71073","MoKα","","0.096","0.0526","","","0.1225","0.1671","","","","","","1.177","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025914","8.6256","0.0004","21.8854","0.0011","11.1823","0.0005","90","","103.52","0.002","90","","2052.44","0.17","103","0.1","103","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Jennifer A. Kozak; Brian O. Patrick; Gregory R. Dake","Gold(I)-Catalyzed Intramolecular Tandem Addition/Friedel-Crafts Reactions between Acyclic Enamides and 1-Arylalkynes","Journal of Organic Chemistry","2010","75","","8585","8590","10.1021/jo102036n","","","0.71073","MoKα","","0.0599","0.0413","","","0.1007","0.1119","","","","","","1.009","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025915","10.1624","0.001","14.6757","0.0015","15.1354","0.0015","83.821","0.002","76.625","0.002","70.557","0.002","2069.7","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 F3 N4 O3 S -","- C46 H31 F3 N4 O3 S -","- C92 H62 F6 N8 O6 S2 -","2","1","","Shinya Ikeda; Motoki Toganoh; Shanmugam Easwaramoorthi; Jong Min Lim; Dongho Kim; Hiroyuki Furuta","Synthesis and Photophysical Properties of N-Fused Tetraphenylporphyrin Derivatives: Near-Infrared Organic Dye of [18]Annulenic Compounds","Journal of Organic Chemistry","2010","75","","8637","8649","10.1021/jo102128m","","","0.71069","MoKα","","0.1692","0.0795","","","0.2065","0.2372","","","","","","0.814","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025918","17.419","0.0017","7.4383","0.0007","19.102","0.002","90","","107.558","0.005","90","","2359.7","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F6 N12 O5 -","- C20 H18 F6 N12 O5 -","- C80 H72 F24 N48 O20 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0739","0.0616","","","0.1506","0.1525","","","","","","1.076","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025919","9.4341","0.0004","9.6042","0.0005","16.7333","0.0013","95.152","0.005","98.059","0.004","111.604","0.003","1379.16","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C23 H27 Cl3 N12 O2 S2 -","- C23 H27 Cl3 N12 O2 S2 -","- C46 H54 Cl6 N24 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.1994","0.0892","","","0.1831","0.2195","","","","","","1.004","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025920","7.9366","0.0014","16.99","0.001","19.563","0.001","90","","113.204","0.009","90","","2424.5","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N12 O2 S2 -","- C20 H26 N12 O2 S2 -","- C80 H104 N48 O8 S8 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0544","0.0541","","","0.1278","0.1279","","","","","","1.061","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025921","18.1219","0.0019","15.1818","0.0015","17.9876","0.0016","90","","119.062","0.004","90","","4325.7","0.8","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 F21 N12 O14 -","- C30 H21 F21 N12 O14 -","- C120 H84 F84 N48 O56 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0783","0.0698","","","0.1699","0.1721","","","","","","1.17","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025922","15.4348","0.0004","5.1653","0.0002","12.6502","0.0003","90","","95.858","0.001","90","","1003.28","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 N12 O2 -","- C18 H22 N12 O2 -","- C36 H44 N24 O4 -","2","0.5","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0456","0.0446","","","0.1381","0.1396","","","","","","1.065","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025923","14.5409","0.0013","14.7369","0.0012","21.9376","0.0017","84.221","0.004","82.535","0.004","69.26","0.004","4351.5","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C59 H56 Cl2 N36 O2 S2 -","- C59 H56 Cl2 N36 O2 S2 -","- C118 H112 Cl4 N72 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0707","0.0646","","","0.1544","0.1553","","","","","","1.008","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025924","11.0524","0.0002","11.1745","0.0002","11.6989","0.0003","88.33","0.001","67.213","0.001","76.467","0.001","1292.07","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C22 H26 N12 O2 S2 -","- C22 H26 N12 O2 S2 -","- C44 H52 N24 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.057","0.0537","","","0.128","0.1288","","","","","","1.059","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025925","15.8798","0.0011","15.026","0.0011","8.5564","0.0006","90","","90","","90","","2041.6","0.3","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","3,4-diphenyl-2-methyl-5-methylidene-1-phenylethynylcyclopent-1-ene","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","0.5","","Curtis J. Rieder; Karl J. Winberg; F. G. West","Olefination of α,α'-Divinyl Ketones through Catalytic Meyer-Schuster Rearrangement","Journal of Organic Chemistry","2011","76","","50","56","10.1021/jo101497f","","","0.71073","MoKα","","0.0443","0.0337","","","0.0803","0.0869","","","","","","1.032","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025926","19.739","0.003","11.6636","0.0018","19.941","0.003","90","","98.303","0.006","90","","4542.9","1.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 Li4 O8 -","- C40 H72 Li4 O8 -","- C160 H288 Li16 O32 -","4","1","","Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard","Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound","Journal of Organic Chemistry","2011","76","","65","70","10.1021/jo1015163","","","0.71073","MoKα","","0.1917","0.0801","","","0.1977","0.2397","","","","","","1.091","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025927","45.395","0.013","9.133","0.003","16.71","0.005","90","","104.389","0.004","90","","6711","4","196","2","196","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C304 H448 O48 -","16","2","","Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard","Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound","Journal of Organic Chemistry","2011","76","","65","70","10.1021/jo1015163","","","0.71073","MoKα","","0.0859","0.0608","","","0.1452","0.1642","","","","","","1.037","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025928","14.159","0.002","6.4481","0.0012","30.788","0.009","90","","90","","90","","2810.9","1.1","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","2","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.0823","0.0438","","","0.0915","0.1077","","","","","","1.006","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025929","5.4774","0.0011","9.2965","0.0018","13.809","0.003","101.285","0.003","96.906","0.003","92.077","0.003","683.3","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.0615","0.0499","","","0.1305","0.1413","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025930","6.464","0.0009","12.269","0.0017","13.6975","0.0018","83.627","0.007","81.274","0.007","79.7","0.008","1052.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C44 H60 Br2 N2 O6 -","2","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1251","0.0573","","","0.1414","0.1747","","","","","","1.011","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025931","14.528","0.002","13.544","0.002","21.691","0.003","90","","90","","90","","4268.1","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C176 H240 Br8 N8 O24 -","8","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1615","0.0772","","","0.2","0.2495","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025932","10.137","0.009","7.272","0.007","20.597","0.019","90","","99.252","0.011","90","","1499","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.7107","MoKα","","0.0919","0.0646","","","0.1736","0.2138","","","","","","1.019","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025933","13.6954","0.0004","6.38506","0.00018","17.6341","0.0006","90","","104.081","0.003","90","","1495.7","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0614","0.0476","","","0.1128","0.1183","","","","","","1.042","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025934","6.57204","0.00016","10.0357","0.0004","11.8115","0.0004","95.809","0.003","94.674","0.002","105.721","0.003","741.2","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C30 H26 Br2 F8 O6 -","2","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0287","0.027","","","0.0665","0.0675","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025935","11.91851","0.00014","6.03915","0.00009","21.21","0.0003","90","","97.2047","0.0012","90","","1514.59","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0509","0.0363","","","0.0849","0.0899","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025936","11.0594","0.0006","6.8012","0.0003","20.1769","0.0009","90","","92.102","0.004","90","","1516.63","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C60 H52 Br4 F16 O12 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.1001","0.0627","","","0.1873","0.2129","","","","","","1.101","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025937","13.0338","0.0005","9.1341","0.0004","7.5874","0.0003","90","","93.62","0.003","90","","901.49","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br Cl O -","- C8 H12 Br Cl O -","- C32 H48 Br4 Cl4 O4 -","4","0.5","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","0.71073","MoKα","","0.0448","0.0303","","","0.0823","0.092","","","","","","1.091","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025938","11.1774","0.00011","7.41636","0.00011","17.15108","0.00017","90","","101.722","0.001","90","","1392.1","0.03","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C60 H68 Br4 O12 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0559","0.0488","","","0.0994","0.1012","","","","","","1.295","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025939","7.0794","0.00012","31.7774","0.0003","7.32126","0.00012","90","","117.338","0.002","90","","1463.07","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0287","0.0282","","","0.0652","0.0654","","","","","","1.148","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025940","7.08444","0.0001","13.3213","0.0002","31.0102","0.0004","90","","90","","90","","2926.56","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C120 H104 Br8 F32 O24 -","8","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0372","0.0313","","","0.0853","0.0887","","","","","","1.069","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025941","12.6909","0.0004","8.761","0.0004","8.0814","0.0002","90","","90","","90","","898.53","0.05","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br Cl O -","- C8.0036 H12.0036 Br1.0018 Cl1.0018 O -","- C32.0144 H48.0144 Br4.0072 Cl4.0072 O4 -","4","0.5","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","0.71073","MoKα","","0.0574","0.0319","","","0.0728","0.0817","","","","","","1.109","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025942","15.516","0.003","11.029","0.0013","16.725","0.002","90","","91.007","0.01","90","","2861.6","0.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C120 H128 Cl8 N8 O32 -","8","2","","Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo","Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations","Journal of Organic Chemistry","2011","76","","2","12","10.1021/jo101638r","","","1.54178","CuKα","","0.0707","0.0425","","","0.0962","0.1038","","","","","","1","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025943","10.6099","0.0007","10.7142","0.0007","13.7817","0.0008","90","","105.557","0.004","90","","1509.26","0.17","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","2","","Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo","Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations","Journal of Organic Chemistry","2011","76","","2","12","10.1021/jo101638r","","","1.54178","CuKα","","0.0844","0.0537","","","0.112","0.1229","","","","","","1.06","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025944","5.6153","0.0008","16.599","0.002","18.194","0.002","90","","90","","90","","1695.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Ying Cheng; Jing An; Liang-Qiu Lu; Lan Luo; Zheng-Yi Wang; Jia-Rong Chen; Wen-Jing Xiao","Asymmetric Cyclopropanation of β,γ-Unsaturated α-Ketoesters with Stabilized Sulfur Ylides Catalyzed by C2-Symmetric Ureas","Journal of Organic Chemistry","2011","76","","281","284","10.1021/jo101699r","","","0.71073","MoKα","","0.0707","0.044","","","0.0993","0.1087","","","","","","1.01","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025945","7.594","0.003","9.67","0.003","27.818","0.008","90","","90","","90","","2042.8","1.2","150","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1472","0.0448","","","0.0875","0.1033","","","","","","0.727","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025946","14.4663","0.0004","26.1325","0.0007","17.0631","0.0005","90","","96.133","0.003","90","","6413.6","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H82 N2 O10.5 -","- C68 H82 N2 O10.5 -","- C272 H328 N8 O42 -","4","2","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1458","0.0863","","","0.1492","0.1814","","","","","","1.07","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025947","12.4869","0.0006","21.3283","0.0011","13.0729","0.0007","90","","107.35","0.001","90","","3323.2","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H91 N2 O13 S2 -","- C70 H91 N2 O13 S2 -","- C140 H182 N4 O26 S4 -","2","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.0598","0.0499","","","0.1253","0.1299","","","","","","0.977","","","","has coordinates,has disorder","219285","2020-10-21","18:00:00",""
"4025948","32.186","0.004","11.5459","0.0013","12.7286","0.0015","90","","104.996","0.003","90","","4569.1","0.9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C39 H44 F6 N2 O10 P -","- C38 H28 F6 N2 O10 P -","- C152 H112 F24 N8 O40 P4 -","4","0.5","","Moorthy Suresh; Amal Kumar Mandal; Manoj K. Kesharwani; N. N. Adarsh; Bishwajit Ganguly; Ravi Kumar Kanaparthi; Anunay Samanta; Amitava Das","Folding and Unfolding Movements in a [2]Pseudorotaxane","Journal of Organic Chemistry","2011","76","","138","144","10.1021/jo101762k","","","0.71073","MoKα","","0.237","0.1828","","","0.4525","0.4747","","","","","","1.493","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025949","12.65","0.004","14.152","0.005","15.8","0.006","90","","111.575","0.014","90","","2630.4","1.6","298.1","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H21 Cl3 O2 -","- C33 H21 Cl3 O2 -","- C132 H84 Cl12 O8 -","4","1","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.0688","","","","0.2143","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025950","12.979","0.002","8.4621","0.0015","16.92","0.003","90","","101.129","0.004","90","","1823.4","0.5","298.1","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 O3 -","- C26 H16 O3 -","- C104 H64 O12 -","4","1","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.052","","","","0.0468","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025951","12.2401","0.0004","18.7937","0.0007","11.7298","0.0004","90","","90","","90","","2698.29","0.16","298.1","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H32 O3 Si2 -","- C32 H32 O3 Si2 -","- C128 H128 O12 Si8 -","4","0.5","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.0632","","","","0.1413","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025952","8.239","0.0009","16.923","0.0005","7.936","0.002","90","","95.924","0.008","90","","1100.6","0.3","198","2","198","2","","","101.3","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","DM226","4-phenyl-1-ethyl-4H-1,2,4-triazolium bromide","","- C10 H12 Br N3 -","- C10 H12 Br N3 -","- C40 H48 Br4 N12 -","4","1","","Dirk Meyer; Thomas Strassner","1,2,4-Triazole-Based Tunable Aryl/Alkyl Ionic Liquids","Journal of Organic Chemistry","2011","76","","305","308","10.1021/jo101784v","","","0.71073","MoKα","","0.0639","0.0323","","","0.0583","0.0661","","","","","","1.04","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025953","10.449","0.002","5.8194","0.0007","23.624","0.011","90","","91.05","0.03","90","","1436.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Alexandre Drouin; Dana K. Winter; Simon Pichette; Samuel Aubert-Nicol; Jean Lessard; Claude Spino","Photochemical Rearrangement of N-Mesyloxylactams: Stereospecific Formation of N-Heterocycles","Journal of Organic Chemistry","2011","76","","164","169","10.1021/jo101805q","","","1.54176","CuKα","","0.151","0.1037","","","0.2997","0.3384","","","","","","1.205","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025954","8.6082","0.001","13.6635","0.0016","21.298","0.003","97.782","0.002","90.026","0.002","102.338","0.002","2423.5","0.5","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 F7 N O6 S4 -","- C20 H10 F7 N O6 S4 -","- C80 H40 F28 N4 O24 S16 -","4","2","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.1564","0.0672","","","0.1771","0.2239","","","","","","0.972","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025955","7.9267","0.0015","8.4428","0.0016","18.761","0.003","85.534","0.003","78.675","0.003","76.174","0.003","1194.8","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 F3 N O6 S4 -","- C23 H12 F3 N O6 S4 -","- C46 H24 F6 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0984","0.0542","","","0.1429","0.163","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025956","7.893","0.003","8.096","0.003","16.569","0.006","92.716","0.007","100.458","0.006","107.625","0.006","986.4","0.6","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 F3 N O6 S4 -","- C18 H10 F3 N O6 S4 -","- C36 H20 F6 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0834","0.0423","","","0.0894","0.1023","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025957","8.796","0.004","9.291","0.004","13.986","0.007","74.506","0.008","89.266","0.008","69.251","0.008","1025.8","0.8","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O6 S4 -","- C19 H15 N O6 S4 -","- C38 H30 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0898","0.0456","","","0.1272","0.1545","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025958","8.3891","0.0004","10.8253","0.0003","34.158","0.001","90","","95.085","0.002","90","","3089.83","0.19","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O4 S4 -","- C14 H10 O4 S4 -","- C112 H80 O32 S32 -","8","2","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0923","0.0461","","","0.0986","0.1116","","","","","","1.058","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025959","8.7378","0.0009","30.43","0.003","10.316","0.0011","90","","103.209","0.007","90","","2670.4","0.5","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H50 N8 O8 -","- C55 H58 N6 O12 -","- C110 H116 N12 O24 -","2","1","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.5418","CuKα","","0.0667","0.0649","","","0.1757","0.1795","","","","","","1.041","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025960","13.94","0.003","13.983","0.003","52.858","0.011","90","","90.15","0.03","90","","10303","4","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H124 N12 O19.5 -","- C111.08 H126.85 N12 O19 -","- C444.32 H507.4 N48 O76 -","4","2","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.54178","CuKα","","0.0876","0.0862","","","0.2754","0.2796","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025961","11.2296","0.0014","11.7774","0.0017","14.126","0.002","102.296","0.004","91.591","0.004","93.968","0.004","1819.3","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 B10 F12 O -","- C34 H24 B10 F11.757 -","- C68 H48 B20 F23.514 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.1346","0.0865","","","0.1879","0.2208","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025962","10.4393","0.0009","12.2198","0.0013","14.1016","0.0011","98.984","0.003","106.723","0.003","107.19","0.003","1587.6","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 B10 Cl3 -","- C31 H29 B10 Cl3 -","- C62 H58 B20 Cl6 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.0915","0.0574","","","0.1501","0.2145","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025963","8.2198","0.001","10.281","0.0014","18.703","0.003","99.832","0.005","91.778","0.005","110.184","0.004","1454.8","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 B10 -","- C32 H32 B10 -","- C64 H64 B20 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.1894","0.0856","","","0.1968","0.2848","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025964","8.503","0.001","10.1555","0.0012","18.029","0.002","83.84","0.004","86.802","0.004","74.078","0.004","1487.9","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 B10 O2 -","- C32 H32 B10 O2 -","- C64 H64 B20 O4 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.2348","0.0993","","","0.1594","0.2145","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025965","9.0443","0.0008","16.3435","0.0015","11.2531","0.001","90","","102.295","0.002","90","","1625.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 I N2 -","- C21 H13 I N2 -","- C84 H52 I4 N8 -","4","1","","Huang-Che Ouyang; Ri-Yuan Tang; Ping Zhong; Xing-Guo Zhang; Jin-Heng Li","CuI/I2-Promoted Electrophilic Tandem Cyclization of 2-Ethynylbenzaldehydes with ortho-Benzenediamines: Synthesis of Iodoisoquinoline-Fused Benzimidazoles","Journal of Organic Chemistry","2011","76","","223","228","10.1021/jo102060j","","","0.71073","MoKα","","0.0391","0.0325","","","0.0785","0.0813","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025966","10.529","0.007","15.041","0.01","17.359","0.012","111.84","0.008","90.489","0.008","92.944","0.008","2547","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl r-4-benzoyl-c-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C58 H56 O12 -","- C58 H56 O12 -","- C116 H112 O24 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.214","0.1279","","","0.3492","0.402","","","","","","1.219","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025967","19.5178","0.0019","8.2127","0.0008","15.4641","0.0015","90","","95.498","0.001","90","","2467.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl r-4-benzoyl-t-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0791","0.0463","","","0.1211","0.1357","","","","","","1.256","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025968","9.752","0.003","11.53","0.003","13.417","0.006","106.912","0.004","101.977","0.004","110.918","0.003","1263.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl r-4-benzoyl-t-2,t-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H28 O6 -","- C29 H28 O6 -","- C58 H56 O12 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0676","0.0514","","","0.1447","0.1612","","","","","","1.032","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025969","9.2997","0.0011","11.2333","0.0014","11.47","0.0014","109.92","0.001","101.435","0.002","102.394","0.002","1051.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-(1-benzoyl-2-chloro-2-phenylethyl)malonate","","- C22 H23 Cl O5 -","- C22 H23 Cl O5 -","- C44 H46 Cl2 O10 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0918","0.0637","","","0.1237","0.127","","","","","","2.993","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025970","8.565","0.004","10.946","0.005","14.765","0.007","77.125","0.006","89.991","0.006","83.694","0.005","1340.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl r-4-benzoyl-c-2-(2,4-dichlorophenyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H26 Cl2 O6 -","- C29 H26 Cl2 O6 -","- C58 H52 Cl4 O12 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.1493","0.0611","","","0.1431","0.1922","","","","","","0.941","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025971","25.425","0.008","8.233","0.003","16.032","0.005","90","","128.514","0.003","90","","2625.8","1.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Diethyl r-4-benzoyl-t-2-(4-anisyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate","","- C30 H30 O7 -","- C30 H30 O7 -","- C120 H120 O28 -","4","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0879","0.0448","","","0.1015","0.1237","","","","","","1.03","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025972","9.858","0.002","12.708","0.003","17.854","0.003","103.988","0.006","93.374","0.005","92.078","0.006","2163.6","0.8","123.2","","123.2","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H54 O14 -","- C47 H30 O14 -","- C94 H60 O28 -","2","1","","Tomoki Ogoshi; Takamichi Aoki; Keisuke Kitajima; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto","Facile, Rapid, and High-Yield Synthesis of Pillar[5]arene from Commercially Available Reagents and Its X-ray Crystal Structure","Journal of Organic Chemistry","2011","76","","328","331","10.1021/jo1020823","","","0.7107","MoK?a","","","0.0753","","","","0.1077","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025973","7.4632","0.0003","22.1589","0.001","9.6495","0.0004","90","","94.64","0.003","90","","1590.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Xiao-Feng Xia; Xing-Zhong Shu; Ke-Gong Ji; Ali Shaukat; Xue-Yuan Liu; Yong-Min Liang","Platinum/Scandium-Cocatalyzed Cascade Cyclization and Ring-Opening Reaction of Tertiary Amines with Substituted Salicylaldehydes to Synthesize 3-(Aminoalkyl)coumarins","Journal of Organic Chemistry","2011","76","","342","345","10.1021/jo102219z","","","0.71073","MoKα","","0.0731","0.042","","","0.093","0.1089","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025974","14.9767","0.0017","5.8222","0.0008","17.535","0.002","90","","101.735","0.004","90","","1497","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen","Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives","Journal of Organic Chemistry","2011","76","","441","449","10.1021/jo1018014","","","0.7107","MoKα","","0.0631","0.0462","","","0.1425","0.1963","","","","","","1.166","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025975","17.771","0.002","5.337","0.0008","20.316","0.003","90","","103.394","0.008","90","","1874.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O2 S -","- C20 H22 Cl N O2 S -","- C80 H88 Cl4 N4 O8 S4 -","4","1","","Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen","Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives","Journal of Organic Chemistry","2011","76","","441","449","10.1021/jo1018014","","","0.71075","MoKα","","0.0754","0.0603","","","0.1095","0.1153","","","","","","1.199","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025976","8.7484","0.0002","14.5938","0.0004","9.8507","0.0002","90","","108.899","0.002","90","","1189.86","0.05","200","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0606","0.0469","","","0.1391","0.1574","","","","","","1.135","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025977","6.74","0.02","12.46","0.04","15.25","0.05","90","","91.77","0.07","90","","1280","7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.2822","0.1771","","","0.3848","0.4406","","","","","","1.116","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025978","6.313","0.0002","10.453","0.0003","20.321","0.0007","90.038","0.001","90.026","0.001","90.037","0.002","1340.98","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","2","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0632","0.0431","","","0.1232","0.1461","","","","","","1.062","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025979","7.5626","0.0003","10.9151","0.0003","11.7483","0.0003","108.667","0.001","98.922","0.001","100.822","0.001","877.97","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0671","0.0571","","","0.1653","0.1785","","","","","","1.599","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025980","13.0697","0.0003","7.719","0.0002","18.146","0.0005","90","","98.078","0.001","90","","1812.5","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.1106","0.0816","","","0.228","0.2584","","","","","","1.075","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025981","7.6607","0.0003","7.7335","0.0003","10.9132","0.0004","106.496","0.002","96.783","0.002","106.6","0.002","579.96","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N2 O4 -","- C11 H9 Cl N2 O4 -","- C22 H18 Cl2 N4 O8 -","2","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0509","0.0443","","","0.118","0.1239","","","","","","1.005","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025982","5.6403","0.0006","7.5628","0.0008","18.575","0.002","90","","91","0.006","90","","792.22","0.15","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0586","0.0512","","","0.119","0.1276","","","","","","1.043","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025983","5.2982","0.0003","10.8741","0.0006","26.5635","0.0019","90","","90","","90","","1530.41","0.16","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(2,2-Dimethyl-propoxycarbonylamino)-2-hydroxy-3-phenyl-propionic acid methyl ester","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0322","0.0306","","","0.077","0.0789","","","","","","1.045","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025984","8.2984","0.0003","5.8941","0.0002","11.0767","0.0008","90","","108.428","0.008","90","","514","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Oxo-4-phenyl-oxazolidine-5-carboxylic acid methyl ester","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0301","0.0271","","","0.0629","0.0658","","","","","","1.088","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025985","10.2606","0.0006","6.0075","0.0003","32.542","0.0018","90","","98.465","0.001","90","","1984.05","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","2","","Sadagopan Raghavan; Vaddela Sudheer Babu; B. Sridhar","Mercury(II)-Mediated Cleavage of Cyclopropylcarbinols by an Intramolecular Sulfinyl Group as a Stereo- and Regioselective Route to Stereotriads and Stereotetrads","Journal of Organic Chemistry","2011","76","","557","565","10.1021/jo1019909","","","0.71073","MoKα","","0.0703","0.0578","","","0.1378","0.1464","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025986","8.767","0.003","8.8718","0.0011","15.547","0.004","93.997","0.014","115.68","0.02","101.219","0.017","1052.6","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H20 B0 F0 N O0 P -","- C28 H20 N P -","- C56 H40 N2 P2 -","2","1","","Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Anatolyi A. Borisenko; Andrey V. Mironov; Rolf Gleiter; Nikolay S. Zefirov","Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium Ylides","Journal of Organic Chemistry","2011","76","","566","572","10.1021/jo101993a","","","0.71069","MoKα","","0.0404","0.0404","","","0.0605","0.0605","","","","1.71","1.71","1.71","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025987","6.9349","0.0007","23.64","0.003","8.4832","0.0009","90","","111.194","0.002","90","","1296.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-(2,6-dimethoxyphenyl)-2-oxopropyl acetate","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Nayan Ghosh; Sanatan Nayak; Akhila K. Sahoo","Gold-Catalyzed Regioselective Hydration of Propargyl Acetates Assisted by a Neighboring Carbonyl Group: Access to α-Acyloxy Methyl Ketones and Synthesis of (\±)-Actinopolymorphol B","Journal of Organic Chemistry","2011","76","","500","511","10.1021/jo101995g","","","0.71073","MoKα","","0.0543","0.046","","","0.1154","0.1214","","","","","","1.041","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025988","8.132","0.004","8.188","0.004","10.529","0.005","90","","91.449","0.014","90","","700.8","0.6","292","1","292","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H10 Br N O2 -","- C16 H10 Br N O2 -","- C32 H20 Br2 N2 O4 -","2","1","","Claudia De Fusco; Consiglia Tedesco; Alessandra Lattanzi","Organocatalytic Stereoselective Epoxidation of Trisubstituted Acrylonitriles","Journal of Organic Chemistry","2011","76","","676","679","10.1021/jo102020a","","","1.54187","CuKα","","0.0905","0.0638","","","0.1501","0.2247","","","","","","1.021","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025989","11.393","0.002","22.375","0.004","11.623","0.002","90","","103.254","0.003","90","","2884","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H60 F6 N6 Ni2 O6 -","- C62 H60 F6 N6 Ni2 O6 -","- C124 H120 F12 N12 Ni4 O12 -","2","1","","Jiang Wang; Daizong Lin; Shengbin Zhou; Xiao Ding; Vadim A. Soloshonok; Hong Liu","Asymmetric Synthesis of Sterically and Electronically Demanding Linear ω-Trifluoromethyl Containing Amino Acids via Alkylation of Chiral Equivalents of Nucleophilic Glycine and Alanine","Journal of Organic Chemistry","2011","76","","684","687","10.1021/jo102031b","","","0.71073","MoKα","","0.0435","0.0368","","","0.0842","0.0864","","","","","","0.94","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025990","10.2111","0.0002","13.3943","0.0003","12.677","0.0003","90","","108.913","0.001","90","","1640.23","0.06","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Wei Wang; Sarah Ollio; Eberhardt Herdtweck; Alexander Dömling","Polycyclic Compounds by Ugi-Pictet-Spengler Sequence","Journal of Organic Chemistry","2011","76","","637","644","10.1021/jo102058s","","","1.5418","CuKα","","0.0378","0.035","","","0.0907","0.0941","","","","","","1.032","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025991","3.883","0.002","13.708","0.008","6.933","0.004","90","","96.545","0.012","90","","366.6","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","","Annamária Molnár; Zoltán Mucsi; Gábor Vlád; Kálmán Simon; Tamás Holczbauer; Benjámin Podányi; Ferenc Faigl; István Hermecz","Ring Transformation of Unsaturated N-Bridgehead Fused Pyrimidin-4(3H)-ones: Role of Repulsive Electrostatic Nonbonded Interaction","Journal of Organic Chemistry","2011","76","","696","699","10.1021/jo102079k","","","0.71075","MoKα","","0.0531","0.0456","","","0.1038","0.1077","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025992","11.7943","0.0008","15.034","0.0011","7.5926","0.0005","90","","97.664","0.001","90","","1334.26","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-Phenyl-4-phenylethynyl-1,2-cyclobutenedione","","","- C18 H10 O2 -","- C18 H10 O2 -","- C72 H40 O8 -","4","1","","Mallesh Beesu; Mariappan Periasamy","Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes","Journal of Organic Chemistry","2011","76","","543","549","10.1021/jo102104a","","","0.71073","MoKα","","0.079","0.0507","","","0.1327","0.1519","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025993","16.411","0.003","18.877","0.004","8.4637","0.0017","90","","96.75","0.03","90","","2603.8","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ferrole complex","[Tricarbonyl-p-(1,1,1-tricarbonyl-4,5-dialkyl- 2,3-diacetyloxyferracyclopentadiene)Iron]'","","- C26 H16 Fe2 O10 -","- C26 H16 Fe2 O10 -","- C104 H64 Fe8 O40 -","4","1","","Mallesh Beesu; Mariappan Periasamy","Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes","Journal of Organic Chemistry","2011","76","","543","549","10.1021/jo102104a","","","0.71073","MoKα","","0.044","0.0366","","","0.0915","0.0959","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025994","10.1709","0.0002","10.2671","0.0002","17.9713","0.0004","90","","90","","90","","1876.66","0.07","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N3 O4 -","- C18 H27 N3 O4 -","- C72 H108 N12 O16 -","4","1","","Valérie Declerck; David J. Aitken","N-Aminoazetidinecarboxylic Acid: Direct Access to a Small-Ring Hydrazino Acid","Journal of Organic Chemistry","2011","76","","708","711","10.1021/jo102108t","","x-ray","0.71073","MoKα","","0.049","0.038","","","0.0956","0.1023","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025995","10.598","0.003","12.828","0.004","14.885","0.005","90","","90","","90","","2023.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 Cl2 Cu N3 -","- C17 H31 Cl2 Cu N3 -","- C68 H124 Cl8 Cu4 N12 -","4","1","","Yirong Zhou; Junfang Dong; Fanglin Zhang; Yuefa Gong","Synthesis of C1-Symmetric Chiral Secondary Diamines and Their Applications in the Asymmetric Copper(II)-Catalyzed Henry (Nitroaldol) Reactions","Journal of Organic Chemistry","2011","76","","588","600","10.1021/jo102124d","","","0.71073","MoKα","","0.0439","0.0416","","","0.104","0.1052","","","","","","1.02","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025996","3.7285","0.0018","30.356","0.015","11.801","0.006","90","","93.334","0.009","90","","1333.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H8 Br2 F8 N4 -","- C34 H8 Br2 F8 N4 -","- C68 H16 Br4 F16 N8 -","2","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0994","0.0895","","","0.2146","0.219","","","","","","1.227","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025997","10.2372","0.0009","7.3908","0.0007","34.902","0.003","90","","93.567","0.002","90","","2635.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H16 F6 N4 -","- C36 H16 F6 N4 -","- C144 H64 F24 N16 -","4","1","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0855","0.0583","","","0.1379","0.1516","","","","","","1.056","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025998","6.9689","0.0004","10.5536","0.0007","16.8584","0.001","82.549","0.001","86.086","0.001","73.071","0.001","1175.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H14 F4 N4 -","- C34 H14 F4 N4 -","- C68 H28 F8 N8 -","2","1","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0835","0.0505","","","0.1299","0.1453","","","","","","1.046","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025999","11.602","0.004","3.726","0.0013","28.062","0.01","90","","96.652","0.006","90","","1204.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H8 F10 N4 -","- C34 H8 F10 N4 -","- C68 H16 F20 N8 -","2","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0808","0.0517","","","0.1366","0.1518","","","","","","1.017","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4026000","7.985","0.004","11.766","0.006","16.176","0.008","80.477","0.011","79.834","0.009","74.24","0.008","1428.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H16 F34 N4 O16 -","- C50 H16 F34 N4 O16 -","- C50 H16 F34 N4 O16 -","1","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.1399","0.0806","","","0.155","0.1899","","","","","","1.033","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026001","11.2936","0.0015","7.2657","0.001","17.145","0.002","90","","96.463","0.007","90","","1397.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.0579","0.0424","","","0.1095","0.1237","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026002","7.4091","0.0017","10.304","0.002","10.827","0.002","65.477","0.003","74.681","0.002","83.961","0.003","725.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.1146","0.0685","","","0.1932","0.2256","","","","","","1.049","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026003","8.3","0.02","17.24","0.04","8.57","0.02","90","","94.73","0.02","90","","1222","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.0783","0.0465","","","0.1227","0.1442","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026004","40.421","0.012","11.179","0.003","16.906","0.005","90","","95.979","0.006","90","","7598","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H28 Cl4 O8 -","- C46 H28 Cl4 O8 -","- C368 H224 Cl32 O64 -","8","1","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.1093","0.1071","","","0.316","0.3185","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026005","15.849","0.005","15.849","0.005","26.95","0.009","90","","90","","120","","5863","3","153","2","153","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C45 H44 O7 -","- C45 H43.99 O7 -","- C270 H263.94 O42 -","6","0.333333","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.0839","0.0835","","","0.24","0.2405","","","","","","1.128","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026006","16.6442","0.0016","16.6442","0.0016","27.928","0.003","90","","90","","120","","6700.3","1.2","153","2","153","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C94 H88 Cl12 O12 -","- C94 H88 Cl12 O12 -","- C282 H264 Cl36 O36 -","3","0.166667","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.1113","0.1111","","","0.3909","0.3914","","","","","","1.908","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026007","10.234","0.002","12.588","0.002","14.136","0.003","90","","90","","90","","1821.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O3 -","- C19 H25 N3 O3 -","- C76 H100 N12 O12 -","4","1","","Alessandro Sacchetti; Alessandra Silvani; Giordano Lesma; Tullio Pilati","Phe-Ala-Based Diazaspirocyclic Lactam as Nucleator of Type II' β-Turn","Journal of Organic Chemistry","2011","76","","833","839","10.1021/jo1019927","","","0.71073","MoKα","","0.0576","0.0331","","","0.0707","0.0774","","","","","","0.934","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026008","4.73","0.002","11.618","0.004","8.805","0.004","90","","101.32","0.04","90","","474.4","0.3","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0796","0.0582","","","0.1188","0.1253","","","","","","1.027","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026009","4.751","0.003","11.952","0.005","8.898","0.005","90","","100.92","0.06","90","","496.1","0.5","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.1124","0.0729","","","0.1418","0.1565","","","","","","1.015","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026010","8.003","0.0003","11.3185","0.0004","11.6939","0.0005","90","","92.069","0.004","90","","1058.57","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","2","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.034","0.0285","","","0.0697","0.0717","","","","","","1.031","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026011","7.8612","0.001","11.9639","0.0009","16.3656","0.0012","90","","90","","90","","1539.2","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C60 H112 O12 -","4","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0573","0.0423","","","0.0862","0.0941","","","","","","1.151","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026012","9.4955","0.001","6.7112","0.0007","13.9717","0.0015","90","","100.821","0.001","90","","874.53","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O8 -","- C17 H18 N2 O8 -","- C34 H36 N4 O16 -","2","1","","Xuesen Fan; Yangyang Wang; Yingying Qu; Haiyun Xu; Yan He; Xinying Zhang; Jianji Wang","Tandem Reactions Leading to Bicyclic Pyrimidine Nucleosides and Benzopyran-4-ones","Journal of Organic Chemistry","2011","76","","982","985","10.1021/jo102131y","","","0.71073","MoKα","","0.0332","0.0303","","","0.0793","0.0818","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026013","8.205","0.004","7.938","0.004","19.842","0.009","90","","92.846","0.006","90","","1290.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F5 O2 -","- C14 H9 F5 O2 -","- C56 H36 F20 O8 -","4","1","","Huaiqing Zhao; Ye Wei; Jing Xu; Jian Kan; Weiping Su; Maochun Hong","Pd/PR3-Catalyzed Cross-Coupling of Aromatic Carboxylic Acids with Electron-Deficient Polyfluoroarenes via Combination of Decarboxylation with sp2 C-H Cleavage","Journal of Organic Chemistry","2011","76","","882","893","10.1021/jo102175f","","","0.71073","MoKα","","0.1074","0.0561","","","0.1368","0.1632","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026014","45.766","0.02","6.164","0.003","14.24","0.006","90","","99.34","0.014","90","","3964","3","150","","150.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C184 H200 N8 O24 S8 -","8","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Intramolecular Charge-Transfer-Induced Decomposition Promoted by an Aprotic Polar Solvent for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2011","76","","902","908","10.1021/jo1021822","","","0.71075","MoKα","","","0.0737","","","","0.1892","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026015","20.663","0.003","14.7908","0.0016","6.0694","0.0007","90","","90","","90","","1854.9","0.4","190","2","190","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Joseph J. Topczewski; John G. Kodet; David F. Wiemer","Exploration of Cascade Cyclizations Terminated by Tandem Aromatic Substitution: Total Synthesis of (+)-Schweinfurthin A","Journal of Organic Chemistry","2011","76","","909","919","10.1021/jo1022102","","","0.71073","MoKα","","0.0521","0.0465","","","0.129","0.135","","","","","","1.075","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026016","15.4896","0.0013","6.3827","0.0005","22.4035","0.0015","90","","121.467","0.004","90","","1889.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 O7 P -","- C16 H23 O7 P -","- C64 H92 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1335","0.0678","","","0.1473","0.1708","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026017","13.9539","0.0013","9.861","0.0009","16.9007","0.0016","90","","111.638","0.002","90","","2161.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl2 O7 P -","- C17 H25 Cl2 O7 P -","- C68 H100 Cl8 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1082","0.0853","","","0.1886","0.2013","","","","","","1.122","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026018","16.4839","0.0011","6.674","0.0004","22.516","0.002","90","","120.625","0.006","90","","2131.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H25 O7 P -","- C21 H25 O7 P -","- C84 H100 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0823","0.0447","","","0.0991","0.1084","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026019","17.863","0.003","24.4265","0.0019","16.784","0.002","90","","118.377","0.018","90","","6443.4","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C109 H125 Cl3 O48 P4 -","- C109 H125 Cl3 O48 P4 -","- C218 H250 Cl6 O96 P8 -","2","0.25","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1626","0.0807","","","0.2176","0.2903","","","","","","0.982","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026020","9.7156","0.0004","12.7031","0.0006","20.613","0.001","90","","112.62","0.004","90","","2348.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 O7 P -","- C23 H27 O7 P -","- C92 H108 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0868","0.0595","","","0.1789","0.1919","","","","","","1.06","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026021","14.9743","0.0008","10.9942","0.0006","18.6852","0.001","90","","91.759","0.001","90","","3074.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 O12 P -","- C29 H35 O12 P -","- C116 H140 O48 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0594","0.047","","","0.1235","0.1313","","","","","","1.037","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026022","11.7888","0.0017","14.997","0.002","16.96","0.004","90","","112.545","0.016","90","","2769.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 O4 P -","- C34 H31 O4 P -","- C136 H124 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0508","0.035","","","0.0857","0.0913","","","","","","1.031","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026023","9.9415","0.0002","27.0182","0.0006","14.0924","0.0004","90","","124.847","0.002","90","","3106.47","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 Cl2 O5 P -","- C36 H35 Cl2 O5 P -","- C144 H140 Cl8 O20 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0995","0.0684","","","0.1751","0.1876","","","","","","1.073","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026024","9.315","0.005","10.467","0.006","11.211","0.006","76.848","0.009","76.187","0.01","75.85","0.01","1012.5","1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1344","0.0785","","","0.164","0.1891","","","","","","1.043","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026025","9.8726","0.0006","11.7485","0.0007","14.2263","0.0009","94.02","0.001","91.421","0.001","111.263","0.001","1531.73","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 O2 P -","- C40 H35 O2 P -","- C80 H70 O4 P2 -","2","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0518","0.0457","","","0.11","0.1136","","","","","","1.042","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026026","13.2152","0.0016","14.2689","0.0015","17.5","0.003","90","","121.267","0.01","90","","2820.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 O4 P -","- C34 H35 O4 P -","- C136 H140 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0831","0.0446","","","0.1052","0.1148","","","","","","0.938","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026027","15.8406","0.0019","14.0154","0.0011","19.0996","0.0019","90","","108.257","0.012","90","","4026.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 O4 P -","- C40 H39 O4 P -","- C160 H156 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1515","0.0807","","","0.2574","0.289","","","","","","0.918","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026028","9.9536","0.0008","16.2868","0.0013","15.5212","0.001","90","","112.478","0.004","90","","2325","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 O3 P -","- C28 H27 O3 P -","- C112 H108 O12 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.062","0.0528","","","0.1219","0.1269","","","","","","1.12","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026029","23.597","0.009","13.366","0.005","6.132","0.003","90","","90","","90","","1934","1.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 O3 P -","- C22 H23 O3 P -","- C88 H92 O12 P4 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0711","0.0679","","","0.1397","0.1414","","","","","","1.256","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026030","15.88","0.0015","9.9538","0.0009","15.133","0.0014","90","","107.287","0.001","90","","2284","0.4","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H23 O P -","- C29 H23 O P -","- C116 H92 O4 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0396","0.0381","","","0.0926","0.0938","","","","","","1.076","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026031","16.291","0.006","12.324","0.004","10.331","0.004","90","","90","","90","","2074.2","1.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H30 O6 P2 -","- C18 H30 O6 P2 -","- C72 H120 O24 P8 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0531","0.0463","","","0.1234","0.1292","","","","","","1.102","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026032","10.3316","0.0007","16.5344","0.0011","17.8866","0.0016","90","","108.912","0.007","90","","2890.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 O5 P -","- C35 H33 O5 P -","- C140 H132 O20 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0615","0.0383","","","0.0906","0.0956","","","","","","0.958","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026033","7.4997","0.0004","7.9251","0.0004","19.9447","0.0011","90","","90","","90","","1185.43","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Heinz Langhals; Alexander Hofer; Stefan Bernhard; Jay S. Siegel; Peter Mayer","Axially Chiral Bichromophoric Fluorescent Dyes","Journal of Organic Chemistry","2011","76","","990","992","10.1021/jo102254a","","","0.71073","MoKα","","0.0534","0.0333","","","0.07","0.074","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026034","9.306","0.002","13.832","0.001","14.42","0.003","90","","90","","90","","1856.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0935","0.0385","","","0.0812","0.0948","","","","","","1.042","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026035","8.553","0.0006","8.7103","0.0007","12.809","0.005","80.9","0.01","89.75","0.01","74.15","0.007","905.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","2","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0735","0.0445","","","0.1122","0.1254","","","","","","1.048","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026036","4.5881","0.0007","14.0647","0.0009","10.4202","0.0006","90","","96.511","0.009","90","","668.08","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0539","0.0384","","","0.0983","0.1052","","","","","","1.024","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026037","4.5474","0.0003","14.3702","0.0013","10.3498","0.0017","90","","102.456","0.009","90","","660.41","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71073","MoKα","","0.0671","0.0447","","","0.1188","0.1294","","","","","","1.067","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026038","10.574","0.004","17.64","0.007","12.926","0.005","90","","91.566","0.008","90","","2410.1","1.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Ren-Jie Song; Yu Liu; Yan-Yun Liu; Jin-Heng Li","Palladium-Catalyzed Conjugate Addition to Electron-Deficient Alkynes with Benzenesulfinic Acid Derived from 1,2-Bis(phenylsulfonyl)ethane: Selective Synthesis of (E)-Vinyl Sulfones","Journal of Organic Chemistry","2011","76","","1001","1004","10.1021/jo102359n","","","0.71073","MoKα","","0.1273","0.1114","","","0.2208","0.2286","","","","","","1.333","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026039","11.4296","0.0006","12.6286","0.0006","15.0391","0.0009","105.039","0.001","90.962","0.001","107.601","0.001","1987.52","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H101 Cl N12 O12 S4 -","- C35 H43 N5 O5 S2 -","- C70 H86 N10 O10 S4 -","2","1","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.0855","0.0525","","","0.125","0.1341","","","","","","1.14","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026040","23.5509","0.0015","23.5509","0.0015","14.5959","0.0009","90","","90","","90","","8095.5","0.9","153","2","153","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C80 H108 Cl N9 O8 S4 -","- C64 H64 Cl N8 O8 S4 -","- C256 H256 Cl4 N32 O32 S16 -","4","0.25","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.1379","0.0861","","","0.2084","0.2295","","","","","","1.124","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026041","12.817","0.003","17.885","0.006","13.861","0.005","90","","98.261","0.011","90","","3144.4","1.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 N4 O5 S2 -","- C33 H39 N4 O5 S2 -","- C132 H156 N16 O20 S8 -","4","1","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.2844","0.0922","","","0.1696","0.237","","","","","","1.007","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026042","8.491","0.006","9.669","0.007","20.46","0.014","90","","90","","90","","1680","2","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Shin Ando; Amy L. Grote; Kazunori Koide","Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides","Journal of Organic Chemistry","2011","76","","1155","1158","10.1021/jo102096d","","","0.71073","MoKα","","0.1927","0.0868","","","0.1815","0.2213","","","","","","0.891","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026043","14.326","0.004","15.14","0.004","24.246","0.006","90","","91.927","0.005","90","","5256","2","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C240 H216 N24 O48 -","12","1.5","","Shin Ando; Amy L. Grote; Kazunori Koide","Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides","Journal of Organic Chemistry","2011","76","","1155","1158","10.1021/jo102096d","","","0.71073","MoKα","","0.0994","0.0592","","","0.143","0.1663","","","","","","1.072","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026044","5.958","0.0002","9.2476","0.0003","14.1993","0.0005","91.391","0.002","97.183","0.002","107.512","0.002","738.64","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0297","0.0292","","","0.0833","0.0837","","","","","","1.336","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026045","9.684","0.002","12.086","0.003","13.299","0.003","81.86","0.006","82.501","0.005","74.533","0.004","1478","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N4 O6 -","- C32 H36 N4 O6 -","- C64 H72 N8 O12 -","2","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","","","0.0683","0.0544","","","0.134","0.145","","","","","","1.032","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026046","7.1279","0.0004","8.8202","0.0005","13.1405","0.0008","102.542","0.003","92.659","0.003","95.43","0.003","800.9","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0285","0.0278","","","0.0773","0.0781","","","","","","1.139","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026047","9.6495","0.0016","12.915","0.002","13.39","0.002","102.007","0.003","103.616","0.004","92.047","0.004","1580","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.057","0.0402","","","0.1009","0.107","","","","","","1.053","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026048","6.036","0.0002","9.4615","0.0004","14.6013","0.0005","83.438","0.002","84.291","0.002","71.75","0.002","784.95","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0323","0.0317","","","0.0831","0.084","","","","","","1.029","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026049","5.5847","0.0009","7.8959","0.0012","17.784","0.003","84.99","0.004","85.314","0.004","83.194","0.004","773.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.0868","0.0655","","","0.181","0.1951","","","","","","1.127","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026050","8.8898","0.0004","12.061","0.0005","15.2167","0.0007","72.416","0.002","81.661","0.003","75.268","0.003","1500.05","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H17 F N2 O3 -","- C16 H17 F N2 O3 -","- C64 H68 F4 N8 O12 -","4","4","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0398","0.0356","","","0.089","0.0928","","","","","","1.034","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026051","13.397","0.005","9.956","0.003","12.273","0.004","90","","110.812","0.008","90","","1530.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O3 -","- C16 H17 F N2 O3 -","- C64 H68 F4 N8 O12 -","4","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.0831","0.0616","","","0.1601","0.1842","","","","","","1.041","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026052","8.0176","0.0003","9.6736","0.0004","10.1393","0.0004","106.763","0.0009","96.6662","0.001","111.509","0.001","678.47","0.05","103.1","","103.1","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 I2 N -","- C15 H9 I2 N -","- C30 H18 I4 N2 -","2","1","","Takenori Mitamura; Akiya Ogawa","Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine","Journal of Organic Chemistry","2011","76","","1163","1166","10.1021/jo1021772","","","0.71075","MoKα","","","0.026","","","","0.0662","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026053","36.7158","0.0007","8.06317","0.00015","20.2857","0.0004","90","","92.587","0.0007","90","","5999.4","0.2","103.1","","103.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 I2 N O -","- C16 H11 I2 N O -","- C256 H176 I32 N16 O16 -","16","2","","Takenori Mitamura; Akiya Ogawa","Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine","Journal of Organic Chemistry","2011","76","","1163","1166","10.1021/jo1021772","","","0.71075","MoKα","","","0.0271","","","","0.071","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026054","10.672","0.003","15.083","0.003","17.585","0.004","86.626","0.004","72.898","0.005","80.806","0.004","2670.5","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H58 B F2 I N2 O8 -","- C59 H58 B F2 I N2 O8 -","- C118 H116 B2 F4 I2 N4 O16 -","2","1","","Thomas Bura; Pascal Retailleau; Gilles Ulrich; Raymond Ziessel","Highly Substituted Bodipy Dyes with Spectroscopic Features Sensitive to the Environment","Journal of Organic Chemistry","2011","76","","1109","1117","10.1021/jo102203f","","","0.71069","MoKα","","0.0802","0.0517","","","0.1296","0.1492","","","","","","1.04","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026055","13.7524","0.0008","6.0384","0.0004","28.938","0.002","90","","96.02","0.005","90","","2389.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","08113","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C104 H136 N8 O16 -","4","2","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.1411","0.0773","","","0.1797","0.2194","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026056","6.2724","0.0002","8.1395","0.0003","11.915","0.0005","99.035","0.003","95.226","0.003","96.713","0.003","592.92","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","MBB I-117","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","1","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.0537","0.0465","","","0.1219","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026057","9.983","0.002","10.796","0.002","20.198","0.004","90","","90","","90","","2176.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N O7 -","- C24 H26 N O7 -","- C96 H104 N4 O28 -","4","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","0.71073","MoKα","","0.1061","0.0827","","","0.1767","0.1874","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026058","5.121","0.002","12.152","0.006","12.407","0.006","93.69","0.02","94.64","0.02","96.93","0.02","761.8","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 F12 N2 O2 -","- C10 H14 F12 N2 O2 -","- C20 H28 F24 N4 O4 -","2","1","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.1191","0.0833","","","0.1896","0.2115","","","","","","1.075","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026059","6.9943","0.0009","16.75","0.002","9.4455","0.0013","90","","111.055","0.003","90","","1032.7","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F12 N2 O2 -","- C16 H22 F12 N2 O2 -","- C32 H44 F24 N4 O4 -","2","0.5","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0889","0.0563","","","0.102","0.1123","","","","","","1.127","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026060","13.483","0.002","13.951","0.003","14.8923","0.001","62.113","0.019","73.42","0.02","73.39","0.02","2334.3","0.8","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F12 N2 O2 -","- C22 H22 F12 N2 O2 -","- C88 H88 F48 N8 O8 -","4","2","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0934","0.0851","","","0.2387","0.2456","","","","","","1.151","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026061","8.7334","0.0012","18.096","0.002","14.6555","0.0019","90","","101.692","0.003","90","","2268.1","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 F12 N2 O2 -","- C18 H28 F12 N2 O2 -","- C72 H112 F48 N8 O8 -","4","1","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0691","0.0552","","","0.1446","0.1571","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026062","16.239","0.012","18.236","0.014","18.655","0.014","90","","90","","90","","5524","7","111","2","111","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.17 H76.45 N11 O14.15 -","- C44.156 H76.428 N11 O14.136 -","- C176.624 H305.712 N44 O56.544 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.3574","0.0667","","","0.1094","0.1929","","","","","","0.911","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026063","36.417","0.012","13.382","0.005","11.873","0.004","90","","102.36","0.004","90","","5652","3","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45.28 H80.47 N11 O13.5 -","- C45.26 H80.44 N11 O13.5 -","- C181.04 H321.76 N44 O54 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.0489","0.0392","","","0.0998","0.1076","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026064","17.9076","0.0016","7.1357","0.0006","11.9889","0.0011","90","","90","","90","","1532","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","15b-Methyl-1H-benzo[e]indolo[1,2-a]pyrrolo[2,1-c][1,4]diazepine- -3,9(2H,15bH)-dione","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu","Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones","Journal of Organic Chemistry","2011","76","","1239","1249","10.1021/jo101727r","","","0.71073","MoKα","","0.0387","0.0349","","","0.0841","0.0861","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026065","6.9155","0.0008","8.1679","0.0009","14.2734","0.0016","90","","99.078","0.002","90","","796.14","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.0555","0.0446","","","0.0987","0.1043","","","","","","1.037","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026066","6.6814","0.0014","15.308","0.003","11.355","0.002","90","","92.456","0.004","90","","1160.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 Br O6 -","- C24 H23 Br O6 -","- C48 H46 Br2 O12 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.1285","0.0668","","","0.1575","0.1803","","","","","","0.827","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026067","4.633","0.005","8.4","0.001","6.577","0.003","90","","100.37","0.06","90","","251.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","epoxide or oxirane","","","- C2 H4 O -","- C2 H4 O -","- C8 H16 O4 -","4","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.71068","MoKα","","0.0556","0.0261","","","","0.0221","0.0315","","","","","1.307","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026068","21.304","0.004","4.046","0.001","17.685","0.004","90","","107.05","0.03","90","","1457.4","0.6","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","methyloxycarbonyl epoxide","","","- C6 H8 O5 -","- C6 H8 O5 -","- C48 H64 O40 -","8","2","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.71068","MoKα","","0.0562","0.0341","","","","0.0359","0.0555","","","","","1.246","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026069","7.746","0.0003","8.08","0.0002","11.835","0.0005","86.198","0.001","74.105","0.001","60.673","0.001","619.07","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","acceptor-substituted oxirane","","","- C12 H11 N O7 -","- C12 H11 N O7 -","- C24 H22 N2 O14 -","2","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.56","synchrotron","","0.0573","0.0309","","","","0.0422","0.046","","","","","0.9537","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026070","9.586","0.0019","6.082","0.0012","11.994","0.002","90","","110.79","0.03","90","","653.7","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra-cyano epoxide","","","- C6 N4 O -","- C6 N4 O -","- C24 N16 O4 -","4","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.56","synchrotron","","0.0414","0.0187","","","","0.0287","0.0426","","","","","0.5523","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026071","6.6696","0.0001","7.6973","0.0002","12.7164","0.0003","88.744","0.001","81.722","0.001","65.235","0.001","586.08","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","none","endo-4,5-Benzo-7-cyano-3-oxatricyclo[6.2.2.0^2,7^] dodec-9-ene-6-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0569","0.0464","","","0.155","0.1722","","","","","","0.832","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026072","6.708","0.0001","7.8652","0.0001","12.7175","0.0002","89.491","0.001","81.199","0.001","66.46","","606.881","0.015","296","2","296","2","","","","","","","","4","P -1","-P 1","2","none","exo-4,5-benzo-7-cyano-3-oxatricyclo[6.2.2.0^2,7^]dodec-9-ene-6-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0519","0.0476","","","0.1506","0.1602","","","","","","0.695","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026073","7.0862","0.0001","21.9228","0.0004","8.0627","0.0001","90","","112.148","0.001","90","","1160.11","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","none","4-(cyclohex-2-enyl)-1,2-naphthoquinone","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0658","0.0509","","","0.1364","0.148","","","","","","1.034","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026074","8.0937","0.0001","7.2758","0.0001","19.9413","0.0003","90","","93.851","0.001","90","","1171.65","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","15-cyano-13-oxahexacyclo[6.4.4.0.0^2,7^.0^3,14^.0^6,15^] hexadec-9,11-diene-16-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0431","0.0339","","","0.1094","0.128","","","","","","0.757","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026075","14.9807","0.001","16.1595","0.0011","15.3173","0.001","90","","101.509","0.004","90","","3633.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-9-cyano-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C200 H168 N8 O24 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0685","0.048","","","0.1229","0.1419","","","","","","1.028","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026076","9.6025","0.0002","17.6676","0.0004","20.1254","0.0004","90","","90","","90","","3414.34","0.13","104","2","104","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0511","0.0453","","","0.1237","0.1307","","","","","","1.055","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026077","8.9161","0.0002","10.5248","0.0002","19.5057","0.0004","90","","90","","90","","1830.42","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","9-cyano-15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0409","0.0354","","","0.1003","0.1067","","","","","","0.746","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026078","6.4585","0.0001","9.7432","0.0002","14.0722","0.0003","90","","97.442","0.001","90","","878.05","0.03","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","none","15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C48 H44 O6 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0275","0.025","","","0.0657","0.0684","","","","","","0.881","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026079","22.99","0.0005","11.5589","0.0003","6.2791","0.0002","90","","90","","90","","1668.6","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","14-phenyl-3,13-dioxanonacyclo [9.4.2.1^2,5^.1^7,10^.0^2,10^.0^4,8^.0^12,15^.0^14,17^.0^18,19^] nonadec-9-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0472","0.0438","","","0.1243","0.1283","","","","","","0.956","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026080","9.8089","0.0001","13.5467","0.0002","14.3443","0.0002","90","","104.253","0.001","90","","1847.37","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 8S(R), 9R(S), 10S(R), 13R(S)- 16-cyano-17-oxo-11-phenyl-14-oxaoctacyclo [6.5.4.1^10,13^.0^1,8^.0^2,7^.0^9,11^.0^3,15^.0^6,16^] octadec-9-carboxaldehyde","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0543","0.0448","","","0.128","0.1505","","","","","","0.728","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026081","25.0613","0.0005","9.961","0.0002","14.47","0.0003","90","","105.296","0.001","90","","3484.27","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","none","1S(R), 8S(R), 9R(S), 10S(R), 13R(S)- 17-oxo-11-phenyl-14-oxaoctacyclo [6.5.4.1^10,13^.0^1,8^.0^2,7^.0^9,11^.0^3,15^.0^6,16^] octadec-9-carboxaldehyde","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.049","0.0432","","","0.1177","0.1275","","","","","","1.012","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026082","8.8327","0.0017","36.546","0.008","6.7047","0.0013","90","","96.053","0.004","90","","2152.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 15-cyano-13-dimethoxymethyl-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0819","0.0489","","","0.1271","0.1492","","","","","","0.795","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026083","9.8224","0.0002","14.3488","0.0003","15.5494","0.0003","90","","106.005","0.001","90","","2106.58","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 15-cyano-13-(1,3-dioxolan-2-yl)-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0537","0.0451","","","0.1651","0.1926","","","","","","0.752","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026084","10.1847","0.0002","14.1437","0.0002","14.6416","0.0002","90.026","0.001","110.101","0.001","91.882","0.001","1979.42","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 13-(1,3-dioxalan-2-yl)-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0688","0.0546","","","0.2159","0.243","","","","","","1.025","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026085","9.6937","0.0001","10.0059","0.0001","11.7038","0.0001","107.168","0.001","94.725","0.001","95.837","0.001","1071.43","0.019","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","13-ethylene glycol monoacetal of 1S(R), 2R(S), 5R(S), 6R(S), 7S(R)- 6-(1,3-dioxolan-2-yl)-4-phenylheptacyclo [5.5.4.1^2,5^.0^1,7^.0^8,12^.0^9,15^.0^11,14^] heptadec-3-ene-16-one","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0507","0.0445","","","0.128","0.1357","","","","","","1.001","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026086","18.8598","0.0005","8.965","0.0002","13.2521","0.0003","90","","105.375","0.001","90","","2160.45","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 11S(R), 12R(S), 13S(R), 14S(R), 16S(R)- 9-cyano-12-dimethoxymethyl-14-phenyl-3,15-dioxaoctacyclo [11.3.1.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^14,16^.0^18,19^] nonadec-10-one","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C108 H108 N4 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0607","0.047","","","0.1286","0.138","","","","","","1.065","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026087","9.8233","0.0003","9.8589","0.0003","12.1276","0.0003","85.89","0.002","86.645","0.001","70.544","0.001","1103.85","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","photoepoxide","13-Ethylene glycol monoacetal of 1S(R),2S(R),3S(R),5S(R),6R(S),7S(R)-7- (1,3-dioxolan-2-yl)-5-phenyl-4-oxaoctacyclo[6.5.4.1^2,6^.0^1,8^.0^3,5^ .0^9,13^.0^10,16^.0^12,15^]octadecane-14,17-dione","","- C28 H28 O6 -","- C28 H28 O6 -","- C56 H56 O12 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0514","0.0403","","","0.1157","0.1403","","","","","","0.483","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026088","11.275","0.015","8.505","0.011","27.54","0.04","90","","92.525","0.014","90","","2638","6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 5R(S), 14R(S), 15S(R), 16S(R), 17R(S), 26R(S)- 7,24-dicyano-13,18-dioxatridecacyclo [14.10.2.1^5,8^.1^11,14^.1^17,20^.1^23,26^ .0^2,15^.0^5,14^.0^7,12^.0^17,26^.0^19,24^.0^29,30^.0^31,32^] dotriaconta-3,27-diene-6,25-dione","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C128 H104 N8 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.134","0.1237","","","0.4063","0.429","","","","","","2.065","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026089","11.7534","0.0003","13.2715","0.0003","13.3406","0.0003","90","","105.693","0.001","90","","2003.37","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 5R(S), 14R(S), 15S(R), 16S(R), 17R(S), 26R(S)- 13,18-dioxatridecacyclo [14.10.2.1^8,11^.1^20,23^.0^2,15^.0^5,9^.0^5,14^.0^7,12^ .0^10,14^.0^17,21^.0^17,26^.0^19.24^.0^22,26^] triaconta-3,27-diene-6,25-dione","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0698","0.053","","","0.1477","0.165","","","","","","1.012","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026090","8.838","0.01","10.681","0.011","10.897","0.012","90","","90.135","0.012","90","","1028.7","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 S2 -","- C20 H21 N O4 S2 -","- C40 H42 N2 O8 S4 -","2","1","","Yong Zhang; Yong-Liang Shao; Hai-Sen Xu; Wei Wang","Organocatalytic Direct Asymmetric Vinylogous Michael Reaction of an α,β-Unsaturated γ-Butyrolactam with Enones","Journal of Organic Chemistry","2011","76","","1472","1474","10.1021/jo102223v","","","0.71073","MoKα","","0.0646","0.0477","","","0.1003","0.1093","","","","","","1.018","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026091","7.0842","0.001","9.0032","0.0013","9.5389","0.0006","95.64","0.008","97.798","0.009","110.869","0.013","556.12","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 Br2 O2 -","- C9 H14 Br2 O2 -","- C18 H28 Br4 O4 -","2","1","","Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey","(\±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans","Journal of Organic Chemistry","2011","76","","1483","1486","10.1021/jo102314w","","","0.71073","MoKα","","0.0727","0.0315","","","0.0602","0.0635","","","","","","0.839","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026092","13.3473","0.001","14.7931","0.0014","17.9988","0.0019","90","","90","","90","","3553.8","0.6","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey","(\±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans","Journal of Organic Chemistry","2011","76","","1483","1486","10.1021/jo102314w","","","1.54248","CuKα","","0.0501","0.0478","","","0.1204","0.1224","","","","","","1.024","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026093","8.6361","0.0012","9.5345","0.0013","47.638","0.006","90","","90","","90","","3922.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 3b","1-(9H-fluoren-9-ylidene)-1-(2-isopropylphenyl)propan-2-ol","","- C25 H24 O -","- C25 H24 O -","- C200 H192 O8 -","8","2","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure, Conformation, Stereodynamics, and Absolute Configuration of the Atropisomers of Fluorenylidene Derivatives","Journal of Organic Chemistry","2011","76","","1487","1490","10.1021/jo1023427","","","0.71073","MoKα","","0.0503","0.0406","","","0.0858","0.0904","","","","","","1.075","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026094","10.5615","0.0012","8.3727","0.0009","11.8537","0.0012","90","","108.972","0.002","90","","991.26","0.19","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","1","","Kai Ding; Yun-shan Sun; Wei-Sheng Tian","Total Synthesis of (\±)-Spiniferin-1 via a Polyfluoroalkanosulfonyl Fluoride Induced Homoallylic Carbocation Rearrangement Reaction","Journal of Organic Chemistry","2011","76","","1495","1498","10.1021/jo102351k","","","0.71073","MoKα","","0.079","0.0399","","","0.0516","0.0581","","","","","","0.764","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026095","17.0976","0.0017","11.4592","0.0009","21.096","0.002","90","","113.539","0.002","90","","3789.3","0.6","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 N O6 -","- C48 H45 N O6 -","- C192 H180 N4 O24 -","4","1","","Najat S. Khan; Jose Manuel Perez-Aguilar; Tara Kaufmann; P. Aru Hill; Olena Taratula; One-Sun Lee; Patrick J. Carroll; Jeffery G. Saven; Ivan J. Dmochowski","Multiple Hindered Rotators in a Gyroscope-Inspired Tribenzylamine Hemicryptophane","Journal of Organic Chemistry","2011","76","","1418","1424","10.1021/jo102480s","","","0.71073","MoKα","","0.0599","0.0479","","","0.1107","0.1204","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026096","9.382","0.0019","12.916","0.003","13.29","0.003","89.09","0.03","88.04","0.02","86.02","0.03","1605.5","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","pentathiodiphosphoric acid-P,P-bis(pyridiniumbetain)","","- C10 H10 N2 P2 S5 -","- C10 H10 N2 P2 S5 -","- C40 H40 N8 P8 S20 -","4","2","","Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson","Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone","Journal of Organic Chemistry","2011","76","","1546","1553","10.1021/jo101865y","","","0.71073","MoKα","","0.1182","0.0572","","","0.1125","0.1299","","","","","","0.971","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026097","7.9234","0.0004","11.0214","0.0005","9.0941","0.0003","90","","95.514","0.002","90","","790.49","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyridinium dihydrogenmonothiophosphate","","- C5 H8 N O3 P S -","- C5 H8 N O3 P S -","- C20 H32 N4 O12 P4 S4 -","4","1","","Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson","Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone","Journal of Organic Chemistry","2011","76","","1546","1553","10.1021/jo101865y","","","0.71073","MoKα","","0.0236","0.0221","","","0.06","0.0612","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026098","10.428","0.005","8.062","0.004","29.581","0.008","90","","96.108","0.008","90","","2472.8","1.8","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 Ni O3 S -","- C28 H27 N3 Ni O3 S -","- C112 H108 N12 Ni4 O12 S4 -","4","2","","Daniel J. Smith; Glenn P. A. Yap; James A. Kelley; Joel P. Schneider","Enhanced Stereoselectivity of a Cu(II) Complex Chiral Auxiliary in the Synthesis of Fmoc-l-γ-carboxyglutamic Acid","Journal of Organic Chemistry","2011","76","","1513","1520","10.1021/jo101940k","","","0.71073","MoKα","","0.1123","0.0674","","","0.1302","0.1488","","","","","","1.05","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026099","18.8594","0.0017","10.0842","0.0009","19.9788","0.0018","90","","93.459","0.002","90","","3792.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H13 N O -","- C75 H13 N O -","- C300 H52 N4 O4 -","4","1","","Shih-Ching Chuang; Venkatachalam Rajeshkumar; Chun-An Cheng; Jie-Cheng Deng; Guan-Wu Wang","Annulation of Benzamides with [60]Fullerene through Palladium(II)-Catalyzed C-H Bond Activation","Journal of Organic Chemistry","2011","76","","1599","1604","10.1021/jo102107k","","","0.71073","MoKα","","0.0756","0.0514","","","0.1247","0.1378","","","","","","1.025","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026100","13.21","0.03","9.45","0.02","14.77","0.03","90","","112.64","0.03","90","","1702","6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Sandra Jiménez-Alonso; Judith Guasch; Ana Estévez-Braun; Imma Ratera; Jaume Veciana; Angel G. Ravelo","Electronic and Cytotoxic Properties of 2-Amino-naphtho[2,3-b]furan-4,9-diones","Journal of Organic Chemistry","2011","76","","1634","1643","10.1021/jo102233j","","","0.71073","MoKα","","0.1689","0.0685","","","0.1874","0.2208","","","","","","0.819","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026101","9.7844","0.0002","10.1122","0.0003","17.8873","0.0004","90","","90","","90","","1769.8","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0437","0.0375","","","0.1063","0.1089","","","","","","1.128","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026102","6.8347","0.0002","17.1728","0.0005","17.4137","0.0005","90","","90","","90","","2043.86","0.1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.053","0.0408","","","0.1089","0.1145","","","","","","0.994","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026103","12.8706","0.0003","10.3285","0.0002","19.3024","0.0005","90","","94.196","0.002","90","","2559.07","0.1","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","2","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.1089","0.0607","","","0.1411","0.1591","","","","","","0.992","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026104","8.0663","0.0001","10.2743","0.0001","20.2326","0.0002","90","","90","","90","","1676.79","0.03","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0424","0.0396","","","0.1116","0.1138","","","","","","1.051","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026105","10.0543","0.0002","11.701","0.0002","13.951","0.0002","90","","90","","90","","1641.27","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0471","0.0419","","","0.114","0.1171","","","","","","1.015","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026106","7.6999","0.0001","9.8411","0.0002","20.3544","0.0004","90","","90","","90","","1542.36","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0409","0.0406","","","0.1125","0.1128","","","","","","1.053","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026107","6.2191","0.0008","11.1721","0.0014","17.86","0.002","90","","90","","90","","1240.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Jeannette M. O'Brien; Jason S. Kingsbury","A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes","Journal of Organic Chemistry","2011","76","","1662","1672","10.1021/jo102257k","","","0.71073","MoKα","","0.0485","0.0371","","","0.0769","0.0817","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026108","22.917","0.007","5.6502","0.0018","11.64","0.004","90","","100.65","0.004","90","","1481.3","0.8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C56 H80 O24 -","8","1","","Jeannette M. O'Brien; Jason S. Kingsbury","A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes","Journal of Organic Chemistry","2011","76","","1662","1672","10.1021/jo102257k","","","0.71073","MoKα","","0.0594","0.0432","","","0.106","0.1172","","","","","","1.058","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026109","17.122","0.003","23.551","0.005","19.674","0.004","90","","92.05","0.03","90","","7928","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H156 F48 N10 O22 P8 -","- C152 H156 F48 N10 O22 P8 -","- C304 H312 F96 N20 O44 P16 -","2","0.5","","Jing Cao; Jia-Bin Guo; Peng-Fei Li; Chuan-Feng Chen","Complexation between Pentiptycene Derived Bis(crown ether)s and CBPQT4+ Salt: Ion-Controlled Switchable Processes and Changeable Role of the CBPQT4+ in Host-Guest Systems","Journal of Organic Chemistry","2011","76","","1644","1652","10.1021/jo102288r","","","0.71073","MoKα","","0.1613","0.1524","","","0.3864","0.3938","","","","","","1.217","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026110","17.42","0.0003","11.1931","0.0002","19.4979","0.0005","90","","113.113","0.001","90","","3496.62","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 N O6 Si -","- C39 H41 N O6 Si -","- C156 H164 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0308","0.0305","","","0.081","0.0813","","","","","","1.024","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026111","18.2912","0.0004","10.635","0.0002","15.6481","0.0003","90","","92.608","0.001","90","","3040.82","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H35 N O6 Si -","- C33 H35 N O6 Si -","- C132 H140 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0246","0.0246","","","0.0653","0.0654","","","","","","1.052","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026112","14.803","0.0005","8.9842","0.0003","13.004","0.0004","90","","99.476","0.003","90","","1705.84","0.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F3 N O3 S Se -","- C15 H16 F3 N O3 S Se -","- C60 H64 F12 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0481","0.0436","","","0.1218","0.1244","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026113","6.5091","0.0016","33.521","0.008","8.747","0.002","90","","93.464","0.004","90","","1905","0.8","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O3 S Se -","- C18 H25 N O3 S Se -","- C72 H100 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0495","0.0407","","","0.0978","0.1023","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026114","10.369","0.003","11.734","0.003","13.532","0.004","90","","105.156","0.004","90","","1589.2","0.8","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F3 N O3 S Se -","- C14 H14 F3 N O3 S Se -","- C56 H56 F12 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0257","0.0238","","","0.0676","0.0686","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026115","17.416","0.0003","9.5355","0.0002","11.4018","0.0002","90","","90.467","0.002","90","","1893.44","0.06","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 S Se -","- C18 H25 N O3 S Se -","- C72 H100 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0551","0.04","","","0.092","0.0964","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026116","7.449","0.003","13.527","0.004","19.221","0.006","90","","99.285","0.005","90","","1911.4","1.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O7 Se -","- C18 H14 N4 O7 Se -","- C72 H56 N16 O28 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.1128","0.0585","","","0.107","0.119","","","","","","0.866","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026117","8.2176","0.0005","9.735","0.0006","12.3328","0.0008","82.277","0.001","83.488","0.001","72.756","0.001","930.88","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N4 O7 Se -","- C18 H14 N4 O7 Se -","- C36 H28 N8 O14 Se2 -","2","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0268","0.0253","","","0.0631","0.0637","","","","","","1.03","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026118","11.6919","0.0002","8.2865","0.0002","20.4393","0.0004","90","","97.802","0.002","90","","1961.93","0.07","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C19 H16 N4 O7 Se -","- C19 H16 N4 O7 Se -","- C76 H64 N16 O28 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0311","0.0297","","","0.0813","0.0825","","","","","","1.008","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026119","16.8059","0.0004","12.0718","0.0002","21.4038","0.0005","90","","127.012","0.003","90","","3467.41","0.19","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl4 O9 S3 -","- C29 H34 Cl4 O9 S3 -","- C116 H136 Cl16 O36 S12 -","4","1","","Julien Sanseverino; Jean-Claude Chambron; Emmanuel Aubert; Enrique Espinosa","Sulfur-Incorporating Cyclotriveratrylene Analogues: The Synthesis of Cyclotrithioguaiacylene","Journal of Organic Chemistry","2011","76","","1914","1917","10.1021/jo102324u","","","1.5418","CuKα","","0.0546","0.0426","","","0.1102","0.1147","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026120","16.081","0.004","25.463","0.007","17.392","0.003","90","","105.22","0.02","90","","6872","3","150","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H37 Cl1.5 N O4 -","- C73 H74 Cl3 N2 O8 -","- C292 H296 Cl12 N8 O32 -","4","1","","Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao","Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies","Journal of Organic Chemistry","2011","76","","1742","1750","10.1021/jo1023409","","","0.71073","MoKα","","0.3142","0.1495","","","0.3077","0.3992","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026121","15.5468","0.0006","20.2073","0.0009","24.3136","0.0012","102.014","0.004","90.127","0.004","96.242","0.003","7424.3","0.6","293","1","293","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C177 H172 N4 O19 -","- C177 H172 N4 O19 -","- C354 H344 N8 O38 -","2","1","","Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao","Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies","Journal of Organic Chemistry","2011","76","","1742","1750","10.1021/jo1023409","","x-ray","0.71073","MoKα","","0.352","0.1118","","","0.2667","0.325","","","","","","0.877","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026122","12.0065","0.0012","17.58","0.0018","20.214","0.002","90","","90","","90","","4266.7","0.7","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H24 Br2 O6 -","- C70 H24 Br2 O6 -","- C280 H96 Br8 O24 -","4","1","","Jianxin Zhang; Nana Xin; Liangbing Gan","Bromination-Mediated Regioselective Preparation of Cyclopentadienyl-Type [60]Fullerene Derivatives with Alkoxy, Peroxy, and Bromo or Hydro Addends","Journal of Organic Chemistry","2011","76","","1735","1741","10.1021/jo102377r","","","0.71075","MoKα","","0.0329","0.0286","","","0.0602","0.0612","","","","","","0.997","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026123","10.272","","34.671","","8.925","","90","","96.19","","90","","3160.02","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 F12 N2 O2 P2 -","- C26 H40 F12 N2 O2 P2 -","- C104 H160 F48 N8 O8 P8 -","4","1","","Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns","Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes","Journal of Organic Chemistry","2011","76","","1930","1933","10.1021/jo102383j","","","0.71073","MoKα","","0.2854","0.0705","","","0.1391","0.2195","","","","","","0.941","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026124","30.78","0.003","12.9394","0.0013","23.09","0.004","90","","130.712","0.005","90","","6970.7","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H42 Cl3 N2 O10 P2 S -","- C26 H43 Cl3 N2 O10 P2 -","- C208 H344 Cl24 N16 O80 P16 -","8","1","","Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns","Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes","Journal of Organic Chemistry","2011","76","","1930","1933","10.1021/jo102383j","","","0.71073","MoKα","","0.1557","0.0828","","","0.1878","0.2482","","","","","","1.128","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026125","7.0755","0.0009","27.67","0.003","10.6387","0.0011","90","","101.765","0.011","90","","2039.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Lehao Huang; Tianmin Niu; Jun Wu; Yuhong Zhang","Copper-Catalyzed Oxidative Cross-Coupling of N,N-Dimethylanilines with Heteroarenes under Molecular Oxygen","Journal of Organic Chemistry","2011","76","","1759","1766","10.1021/jo1023975","","","0.71073","MoKα","","0.1184","0.0549","","","0.164","0.2156","","","","","","0.659","","","","has coordinates","276386","2022-06-29","09:09:37",""
"4026126","14.6662","0.0004","10.1239","0.0003","19.1996","0.0005","90","","92.428","0.002","90","","2848.18","0.14","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-6-(2-Methoxynaphthalen-1-yl)-4,7-dimethyl-2-(toluene-4- sulfonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid isopropyl ester","","- C32 H33 N O5 S -","- C32 H33 N O5 S -","- C128 H132 N4 O20 S4 -","4","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0754","0.0537","","","0.1246","0.1443","","","","","","1.09","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026127","13.2578","0.0002","11.0728","0.0002","14.014","0.0003","90","","105.019","0.001","90","","1986.99","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S,R)-(-)-4,6-Bis(2-methoxynaphthalen-1-yl)-7-methyl-2- (toluene-4-sulfonyl)-2,3-dihydro-1H-isoindole-5- carboxylic acid isopropyl ester","","- C43 H40 Cl3 N O6 S -","- C43 H40 Cl3 N O6 S -","- C86 H80 Cl6 N2 O12 S2 -","2","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0605","0.0397","","","0.0889","0.1123","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026128","12.513","0.0003","12.6052","0.0003","19.5281","0.0005","90","","90","","90","","3080.15","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shu-Chun Zhao; Xing-Zhong Shu; Ke-Gong Ji; An-Xi Zhou; Ting He; Xue-Yuan Liu; Yong-Min Liang","Pd(0)-Catalyzed [1,5]-Sigmatropic Hydrogen Shift of Propargylic Esters toward Substituent Naphthylamines","Journal of Organic Chemistry","2011","76","","1941","1944","10.1021/jo1024267","","","0.71073","MoKα","","0.0673","0.039","","","0.0892","0.1031","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026129","7.0876","0.0004","16.0787","0.0009","21.6431","0.0012","90","","90","","90","","2466.4","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 B2 O3 P2 -","- C22 H36 B2 O3 P2 -","- C88 H144 B8 O12 P8 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.1212","0.0662","","","0.1563","0.2329","","","","","","1.206","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026130","10.0669","0.0014","25.664","0.004","10.9208","0.0013","90","","111.079","0.006","90","","2632.7","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 B2 O4 P2 -","- C24 H40 B2 O4 P2 -","- C96 H160 B8 O16 P8 -","4","2","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0899","0.0519","","","0.1094","0.1276","","","","","","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026131","9.2921","0.0016","14.879","0.002","18.8246","0.0018","90","","90","","90","","2602.6","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pd -","- C24 H34 Cl2 O4 P2 Pd -","- C96 H136 Cl8 O16 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0308","0.0278","","","0.0826","0.0905","","","","","","0.748","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026132","10.9964","0.0004","13.7798","0.0005","22.3755","0.0009","90","","90","","90","","3390.5","0.2","108","2","108","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 Cl5 O5 P2 Pd -","- C27 H39 Cl5 O5 P2 Pd -","- C108 H156 Cl20 O20 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0363","0.0282","","","0.055","0.0842","","","","","","1.226","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026133","6.9899","0.0002","22.4792","0.0007","6.8185","0.0003","90","","90","","90","","1071.37","0.07","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C40 H60 N4 O8 S4 -","4","1","","Donn G. Wishka; Marion Bédard; Katherine E. Brighty; Richard A. Buzon; Kathleen A. Farley; Michael W. Fichtner; Goss S. Kauffman; Jaap Kooistra; Jason G. Lewis; Hardwin O'Dowd; Ivan J. Samardjiev; Brian Samas; Geeta Yalamanchi; Mark C. Noe","An Asymmetric Synthesis of (2S,5S)-5-Substituted Azepane-2-Carboxylate Derivatives","Journal of Organic Chemistry","2011","76","","1937","1940","10.1021/jo102475s","","","1.54178","CuKα","","0.0789","0.0778","","","0.1612","0.1631","","","","","","1.175","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026134","12.2358","0.0013","22.538","0.002","18.847","0.0019","90","","95.309","0.006","90","","5175.1","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H38 Cl3 N9 O7 -","- C61 H38 Cl3 N9 O7 -","- C244 H152 Cl12 N36 O28 -","4","1","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.7107","MoKα","","0.157","0.1143","","","0.3147","0.3691","","","","","","1.158","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026135","18.845","0.005","13.192","0.003","19.392","0.005","90","","117.468","0.003","90","","4277.4","1.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H60 N12 O6 -","- C69 H60 N12 O6 -","- C138 H120 N24 O12 -","2","0.5","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.71073","MoKα","","0.0817","0.0644","","","0.1842","0.194","","","","","","1.058","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026136","17.586","0.004","18.328","0.004","19.381","0.004","90","","91.08","0.03","90","","6246","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H63 N9 O10 -","- C72 H63 N9 O10 -","- C288 H252 N36 O40 -","4","1","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.71073","MoKα","","0.1039","0.09","","","0.186","0.1941","","","","","","1.176","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026137","23.832","0.003","23.832","0.003","21.741","0.004","90","","90","","120","","10694","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C75 H69 N15 O6 -","- C75 H69 N15 O6 -","- C450 H414 N90 O36 -","6","0.333333","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","1.54178","CuKα","","0.2743","0.1432","","","0.3333","0.3672","","","","","","1.498","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026138","5.4777","0.0004","12.6442","0.001","15.1084","0.0013","83.967","0.005","86.968","0.006","86.5","0.005","1037.55","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B N3 O4 -","- C24 H24 B N3 O4 -","- C48 H48 B2 N6 O8 -","2","1","","Ana López-Pérez; Marwin Segler; Javier Adrio; Juan C. Carretero","Silver-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Boryl Acrylates","Journal of Organic Chemistry","2011","76","","1945","1948","10.1021/jo1024915","","","1.54178","CuKα","","0.1112","0.0953","","","0.278","0.2907","","","","","","1.066","","","","has coordinates,has Fobs","178440","2020-10-21","18:00:00",""
"4026139","6.028","0.005","16.365","0.005","18.57","0.005","90","0.005","90","0.005","90","0.005","1831.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0718","0.0453","","","0.1094","0.1237","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026140","6.037","0.005","16.367","0.005","18.598","0.005","90","0.005","90","0.005","90","0.005","1837.6","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H24 N O2 S -","- C80 H96 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0757","0.0497","","","0.1256","0.142","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026141","8.0114","0.0012","12.5034","0.0014","18.835","0.002","90","","90","","90","","1886.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.3301","0.0926","","","0.1405","0.207","","","","","","0.933","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4026142","7.186","0.0007","14.0335","0.0015","13.235","0.0014","90","","94.498","0.002","90","","1330.6","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 -","- C36 H32 N4 -","- C72 H64 N8 -","2","1","","Xiao Liu; Yudao Ma; Wenzeng Duan; Fuyan He; Lei Zhao; Chun Song","Synthesis of Cyclophanes with Planar and Helical Chirality","Journal of Organic Chemistry","2011","76","","1953","1956","10.1021/jo102538y","","","0.71073","MoKα","","0.0704","0.0491","","","0.0964","0.1093","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026143","5.1389","0.0003","54.219","0.004","18.2513","0.0013","90","","97.964","0.004","90","","5036.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C256 H192 O64 -","16","4","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.7107","MoKα","","0.1141","0.0721","","","0.1488","0.1681","","","","","","1.084","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026144","9.43","0.0008","9.63","0.001","11.129","0.0012","90.248","0.008","106.933","0.01","112.963","0.012","882.19","0.19","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.076","0.0611","","","0.1354","0.141","","","","","","1.038","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026145","12.4406","0.0013","12.7749","0.0014","15.6575","0.0016","94.061","0.002","95.186","0.002","102.32","0.002","2410.7","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","2","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71073","MoKα","","0.0746","0.0548","","","0.1499","0.1614","","","","","","1.04","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026146","7.0764","0.0008","19.5907","0.0003","8.9411","0.001","90","","94.353","0.002","90","","1235.9","0.2","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.7107","MoKα","","0.0463","0.0399","","","0.0964","0.1009","","","","","","1.092","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026147","24.27","0.002","7.822","0.0007","17.052","0.0016","90","","105.789","0.008","90","","3115","0.5","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C144 H128 O48 -","8","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0684","0.0527","","","0.1331","0.1434","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026148","21.998","0.002","7.5957","0.0008","25.811","0.003","90","","112.804","0.003","90","","3975.7","0.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C168 H144 Br16 O40 -","8","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0328","0.024","","","0.0566","0.0588","","","","","","0.971","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026149","11.778","0.0016","13.054","0.002","14.844","0.003","97.661","0.004","113.083","0.003","103.412","0.008","1977.1","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C84 H72 Br8 O20 -","4","2","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0638","0.0408","","","0.1005","0.1109","","","","","","0.989","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026150","9.843","0.001","23.98","0.03","10.686","0.0012","90","","94.28","0.007","90","","2515","3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C84 H72 Br8 O20 -","4","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0455","0.0361","","","0.0793","0.0827","","","","","","1.003","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026151","7.0684","0.0002","8.4206","0.0002","14.9569","0.0005","90","","90","","90","","890.24","0.04","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 F N O6 -","- C6 H12 F N O6 -","- C24 H48 F4 N4 O24 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0283","0.0256","","0.0728","0.072","0.0728","","","","","","0.9887","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026152","7.8722","0.0003","9.2049","0.0003","41.2201","0.0015","90","","90","","90","","2986.92","0.19","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N Na2 O11 -","- C28 H41 N Na2 O11 -","- C112 H164 N4 Na8 O44 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0588","0.0368","","0.0921","0.0868","0.0921","","","","","","0.8203","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026153","12.7109","0.0007","17.8216","0.001","19.5965","0.0011","90","","90","","90","","4439.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(R)-5-(N-tert-Butoxycarbonyl)-[(S)-(2-methoxyphenylamino)- (phenyl)methyl]-1H-pirrol-2(5H)one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","","Claudio Curti; Lucia Battistini; Beatrice Ranieri; Giorgio Pelosi; Gloria Rassu; Giovanni Casiraghi; Franca Zanardi","anti-Selective, Catalytic Asymmetric Vinylogous Mukaiyama Mannich Reactions of Pyrrole-Based Silyl Dienolates with N-Aryl Aldimines","Journal of Organic Chemistry","2011","76","","2248","2252","10.1021/jo1021234","","","0.71073","MoKα","","0.1137","0.051","","","0.1518","0.1872","","","","","","0.822","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026154","7.74851","0.00016","26.2071","0.0006","8.18444","0.00017","90","","93.43","0.0014","90","","1659","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","2","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0319","","","","0.0858","","","","","","1.027","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026155","8.94134","0.00017","9.9466","0.0002","16.0925","0.0004","90","","90","","90","","1431.2","0.05","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0321","","","","0.0942","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026156","10.969","0.007","8.042","0.008","19.434","0.012","90","","95.39","0.01","90","","1707","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H48 O9 -","- C36 H48 O9 -","- C72 H96 O18 -","2","1","","Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu","Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott","Journal of Organic Chemistry","2011","76","","2056","2061","10.1021/jo1022712","","","1.54178","CuKα","","0.0565","0.0556","","","0.1565","0.1588","","","","","","1.048","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026157","8.792","0.001","15.306","0.001","24.545","0.002","90","","96.91","0.04","90","","3279","0.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 O9 -","- C35 H46 O9 -","- C140 H184 O36 -","4","1","","Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu","Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott","Journal of Organic Chemistry","2011","76","","2056","2061","10.1021/jo1022712","","","1.54178","CuKα","","0.122","0.0938","","","0.1354","0.149","","","","","","1.026","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026158","9.991","0.0008","15.5697","0.0013","22.565","0.002","90","","90","","90","","3510.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O4 -","- C17 H18 F3 N O4 -","- C136 H144 F24 N8 O32 -","8","2","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.069","0.051","","","0.1268","0.136","","","","","","0.982","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026159","10.7183","0.0014","8.8432","0.0012","12.4477","0.0017","90","","103.81","0.002","90","","1145.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F3 N2 O2 S -","- C25 H21 F3 N2 O2 S -","- C50 H42 F6 N4 O4 S2 -","2","1","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.066","0.0426","","","0.069","0.0744","","","","","","0.811","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026160","9.1596","0.0017","25.648","0.005","10.427","0.002","90","","111.923","0.003","90","","2272.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O7 S2 -","- C22 H23 N O7 S2 -","- C88 H92 N4 O28 S8 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.0608","0.046","","","0.1211","0.1318","","","","","","1.022","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026161","11.0349","0.0017","10.4165","0.0016","16.485","0.003","90","","104.065","0.002","90","","1838.1","0.5","108","2","108","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl3 N2 O3 S -","- C15 H19 Cl3 N2 O3 S -","- C60 H76 Cl12 N8 O12 S4 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.0568","0.0529","","","0.1328","0.1354","","","","","","1.114","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026162","15.327","0.005","7.905","0.003","19.504","0.007","90","","96.912","0.01","90","","2345.9","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O7 S2 -","- C23 H27 N O7 S2 -","- C92 H108 N4 O28 S8 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.1509","0.0804","","","0.1587","0.1868","","","","","","1.069","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026163","4.1459","0.0005","14.1723","0.0016","15.567","0.0017","90","","91.429","0.003","90","","914.38","0.18","173","","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H2 Br Cl I2 -","- C6 H2 Br Cl I2 -","- C24 H8 Br4 Cl4 I8 -","4","2","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0499","0.0425","","","0.0895","0.0928","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026164","16.1669","0.0009","9.9131","0.0005","11.3102","0.0006","90","","90","","90","","1812.62","0.17","173","","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C20 H20 B Cl N4 O2 -","- C20 H20 B Cl N4 O2 -","- C80 H80 B4 Cl4 N16 O8 -","4","0.5","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0271","0.0261","","","0.0663","0.0668","","","","","","1.059","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026165","11.4097","0.0004","13.4664","0.0004","23.539","0.0007","90","","98.669","0.002","90","","3575.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H101 B2 Cl3 N2 O8 -","- C77 H101 B2 Cl3 N2 O8 -","- C154 H202 B4 Cl6 N4 O16 -","2","1","","Yvonne Loewer; Christine Weiss; Akkattu T. Biju; Roland Fröhlich; Frank Glorius","Synthesis and Application of a Chiral Diborate","Journal of Organic Chemistry","2011","76","","2324","2327","10.1021/jo102559s","","","1.54178","CuKα","","0.046","0.043","","","0.1076","0.1107","","","","","","1.013","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026166","20.749","0.004","20.042","0.004","11.915","0.002","90","","95.042","0.002","90","","4935.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H48 F6 O8.5 S6 -","- C42.5 H47.5 F6 O8.5 S6 -","- C170 H190 F24 O34 S24 -","4","1","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0984","0.069","","","0.1682","0.1902","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026167","10.3827","0.0017","13.578","0.002","18.34","0.003","86.422","0.002","87.024","0.002","74.012","0.002","2479","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 F3 N O5 S5 -","- C48 H54 F3 N O5 S5 -","- C96 H108 F6 N2 O10 S10 -","2","1","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0877","0.0601","","","0.1452","0.1685","","","","","","1.027","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026168","14.71","0.003","23.366","0.003","18.063","0.004","90","","106.207","0.002","90","","5962","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H76 N2 O6 S6 -","- C60 H76 N2 O6 S6 -","- C240 H304 N8 O24 S24 -","4","0.5","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0483","0.0414","","","0.1125","0.1196","","","","","","1.073","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026169","8.9096","0.0007","7.9765","0.0005","20.3426","0.0015","90","","102.602","0.005","90","","1410.87","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu; Manas Das","Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling","Journal of Organic Chemistry","2011","76","","2332","2337","10.1021/jo200005n","","","0.71073","MoKα","","0.1136","0.0535","","","0.1325","0.1575","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026170","8.5572","0.0004","7.3756","0.0004","29.6144","0.0014","90","","99.56","0.003","90","","1843.14","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu; Manas Das","Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling","Journal of Organic Chemistry","2011","76","","2332","2337","10.1021/jo200005n","","","0.71073","MoKα","","0.1205","0.0432","","","0.0735","0.0791","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026171","17.3324","0.0008","17.3324","0.0008","10.8249","0.0005","90","","90","","90","","3251.9","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C144 H200 N8 O8 S8 -","8","1","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0585","0.0406","","","0.0984","0.1214","","","","","","1.177","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026172","9.6969","0.0006","8.9917","0.0005","19.0384","0.0012","90","","93.568","0.002","90","","1656.77","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O S -","- C19 H25 N O S -","- C76 H100 N4 O4 S4 -","4","2","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0782","0.0675","","","0.1769","0.182","","","","","","1.146","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026173","11.9102","0.0005","19.4178","0.0009","14.6074","0.0007","90","","91.028","0.002","90","","3377.7","0.3","223","2","223","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C22 H17 Br -","- C22 H17 Br -","- C176 H136 Br8 -","8","2","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0534","0.0462","","","0.1215","0.127","","","","","","1.033","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026174","8.6678","0.0016","6.1892","0.0004","21.92","0.002","90","","100.563","0.011","90","","1156","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 S -","- C13 H14 N2 S -","- C52 H56 N8 S4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0841","0.0642","","","0.1639","0.1857","","","","","","1.005","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026175","5.5133","0.0002","9.0665","0.0003","25.619","0.0009","90","","90","","90","","1280.6","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","0.71073","MoKα","","0.0622","0.0497","","","0.1469","0.1773","","","","","","1.269","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026176","5.9552","0.0004","18.8208","0.0012","15.866","0.0013","90","","97.527","0.003","90","","1763","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.128","0.0912","","","0.2324","0.2714","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026177","10.3577","0.0006","11.0416","0.0006","19.1457","0.0011","90","","90","","90","","2189.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0754","0.0466","","","0.087","0.1016","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026178","8.8802","0.0002","9.8243","0.0002","10.8484","0.0002","96.224","0.002","96.788","0.001","109.107","0.001","877.04","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 F N2 O -","- C20 H21 F N2 O -","- C40 H42 F2 N4 O2 -","2","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0464","0.0422","","","0.1094","0.113","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026179","7.7073","0.0015","12.316","0.003","25.27","0.005","90","","98.4","0.03","90","","2373","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","1","","Junjun Tian; Rong Zhou; Haiyun Sun; Haibin Song; Zhengjie He","Phosphine-Catalyzed [4 + 1] Annulation between α,β-Unsaturated Imines and Allylic Carbonates: Synthesis of 2-Pyrrolines","Journal of Organic Chemistry","2011","76","","2374","2378","10.1021/jo200164v","","","0.71073","MoKα","","0.0941","0.0635","","","0.1581","0.1798","","","","","","0.975","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026180","8.87","0.006","11.581","0.007","17.35","0.012","90","","99.727","0.011","90","","1757","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O4 -","- C18 H15 Br N2 O4 -","- C72 H60 Br4 N8 O16 -","4","1","","Yao-Zong Liu; Rui-Ling Cheng; Peng-Fei Xu","Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β-Nitrostyrenes Catalyzed by Bifunctional Thioureas: A Simple Access to 2-Functionalized Indoles","Journal of Organic Chemistry","2011","76","","2884","2887","10.1021/jo102022g","","","0.71073","MoKα","","0.1195","0.0582","","","0.1316","0.1595","","","","","","1.022","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026181","18.846","0.003","16.285","0.003","18.584","0.005","90","","90.355","0.003","90","","5703","2","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C58 H39 B F24 N3 Rh -","- C58 H39 B F24 N3 Rh -","- C232 H156 B4 F96 N12 Rh4 -","4","0.5","","Marianne Lenes Rosenberg; Klára Vlašaná; Nalinava Sen Gupta; David Wragg; Mats Tilset","Highlycis-Selective Rh(I)-Catalyzed Cyclopropanation Reactions","Journal of Organic Chemistry","2011","76","","2465","2470","10.1021/jo102140z","","","0.71073","MoKα","","0.1299","0.0836","","","0.2099","0.2361","","","","","","0.917","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026182","8.6158","0.0002","9.1007","0.0002","15.9933","0.0004","90.237","0.001","94.663","0.001","108.912","0.001","1181.79","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0628","0.0492","","","0.1406","0.1538","","","","","","1.041","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026183","9.7543","0.0003","12.0791","0.0003","13.3845","0.0004","64.274","0.002","72.292","0.001","69.47","0.001","1308.71","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O5 S -","- C30 H26 N2 O5 S -","- C60 H52 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.1141","0.068","","","0.1864","0.2208","","","","","","1.055","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026184","7.487","0.0003","12.768","0.0006","13.672","0.0008","105.968","0.002","100.785","0.002","91.999","0.002","1229.17","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O7 S -","- C26 H23 N3 O7 S -","- C52 H46 N6 O14 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0834","0.0501","","","0.1328","0.1483","","","","","","0.978","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026185","9.2163","0.0002","11.8473","0.0002","13.3206","0.0003","64.949","0.001","73.644","0.001","73.847","0.001","1242.99","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0594","0.0453","","","0.1131","0.1228","","","","","","1.014","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026186","10.1649","0.0007","11.569","0.0008","12.0038","0.0008","62.991","0.001","76.864","0.002","84.433","0.002","1224.72","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0419","0.0325","","","0.083","0.0875","","","","","","1.054","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026187","28.1546","0.0007","8.2808","0.0002","21.8419","0.0005","90","","118.169","0.001","90","","4489.14","0.19","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 N2 O6 S -","- C23 H26 N2 O6 S -","- C184 H208 N16 O48 S8 -","8","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0435","0.0389","","","0.1047","0.1083","","","","","","1.041","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026188","10.0542","0.0003","18.2032","0.0006","23.872","0.0008","90","","90","","90","","4369","0.2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C22 H24 N2 O5 S -","- C22 H24 N2 O5 S -","- C176 H192 N16 O40 S8 -","8","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.1332","0.0605","","","0.1822","0.2543","","","","","","0.827","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026189","8.6303","0.0002","10.7438","0.0003","13.4034","0.0004","81.226","0.001","76.262","0.001","70.854","0.002","1136.68","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N3 O7 S -","- C22 H23 N3 O7 S -","- C44 H46 N6 O14 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0756","0.0537","","","0.1611","0.1856","","","","","","1.036","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026190","8.8982","0.0004","10.2771","0.0005","13.5859","0.0006","80.865","0.003","72.579","0.003","72.938","0.002","1129.81","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Br N2 O5 S -","- C22 H23 Br N2 O5 S -","- C44 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0374","0.0315","","","0.076","0.0785","","","","","","1.07","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026191","10.342","0.002","6.7854","0.0014","18.153","0.004","90","","97.52","0.03","90","","1262.9","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 Br O3 Si -","- C25 H37 Br O3 Si -","- C50 H74 Br2 O6 Si2 -","2","1","","Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang","Formal Synthesis of Cortistatins","Journal of Organic Chemistry","2011","76","","2479","2487","10.1021/jo102202t","","","0.71073","MoKα","","0.1221","0.047","","","0.0606","0.0704","","","","","","0.918","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026192","18.718","0.004","8.9611","0.0018","14.835","0.003","90","","97.02","0.03","90","","2469.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 O4 Si -","- C25 H36 O4 Si -","- C100 H144 O16 Si4 -","4","1","","Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang","Formal Synthesis of Cortistatins","Journal of Organic Chemistry","2011","76","","2479","2487","10.1021/jo102202t","","","0.71073","MoKα","","0.1592","0.0607","","","0.116","0.125","","","","","","1.001","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026193","13.491","0.004","13.676","0.004","21.937","0.006","90","","90.794","0.004","90","","4047","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H6 O S4 -","- C74 H6 O S4 -","- C296 H24 O4 S16 -","4","1","","Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin","Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60","Journal of Organic Chemistry","2011","76","","2548","2557","10.1021/jo102332e","","","0.71073","MoKα","","0.368","0.0826","","","0.1246","0.2354","","","","","","0.992","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026194","10.1957","0.0011","19.914","0.002","18.513","0.002","90","","91.457","0.001","90","","3757.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H8 Cl3 N O -","- C70 H8 Cl3 N O -","- C280 H32 Cl12 N4 O4 -","4","1","","Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin","Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60","Journal of Organic Chemistry","2011","76","","2548","2557","10.1021/jo102332e","","","0.71073","MoKα","","0.0949","0.0518","","","0.1063","0.1242","","","","","","1.026","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026195","8.1967","0.0001","9.8216","0.0002","9.2868","0.0002","90","","101.543","0.001","90","","732.51","0.02","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 I O -","- C18 H15 I O -","- C36 H30 I2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0282","0.0212","","","0.0501","0.0579","","","","","","1.089","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026196","5.6207","0.0006","8.9814","0.0009","13.4657","0.0016","90","","98.176","0.006","90","","672.86","0.13","103","2","103","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H15 F O -","- C18 H15 F O -","- C36 H30 F2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0631","0.0443","","","0.1228","0.1457","","","","","","1.077","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026197","14.4658","0.0019","14.4658","0.0019","13.482","0.0018","90","","90","","90","","2821.2","0.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","","- C25 H42 N2 O S2 Si2 -","- C25 H42 N2 O S2 Si2 -","- C100 H168 N8 O4 S8 Si8 -","4","0.5","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0401","0.0344","","","0.0877","0.0929","","","","","","0.964","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026198","15.36","0.002","12.783","0.0016","19.119","0.002","90","","90","","90","","3754","0.8","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","","- C16 H20 O2 S2 Si2 -","- C16 H20 O2 S2 Si2 -","- C128 H160 O16 S16 Si16 -","8","1","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0307","0.0257","","","0.0707","0.0742","","","","","","1.05","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026199","18.711","0.005","8.334","0.002","18.767","0.005","90","","97.692","0.004","90","","2900.1","1.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione","2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione","","- C26 H42 N2 O2 S2 Si2 -","- C26 H42 N2 O2 S2 Si2 -","- C104 H168 N8 O8 S8 Si8 -","4","1","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0842","0.0623","","","0.1531","0.1651","","","","","","1.045","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026200","9.533","0.0003","10.9995","0.0004","11.9696","0.0005","90","","90","","90","","1255.11","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O S -","- C12 H18 N2 O S -","- C48 H72 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0906","0.0571","","","0.1477","0.1961","","","","","","1.097","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026201","7.6755","0.0002","10.2448","0.0003","17.465","0.0006","90","","90","","90","","1373.34","0.07","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O S -","- C13 H20 N2 O S -","- C52 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0609","0.0431","","","0.1052","0.1312","","","","","","1.147","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026202","6.5475","0.0002","16.1647","0.0004","16.3838","0.0006","90","","90","","90","","1734.03","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl N2 O S -","- C15 H23 Cl N2 O S -","- C60 H92 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0819","0.052","","","0.132","0.1676","","","","","","1.117","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4026203","6.3446","0.0003","11.0696","0.0005","13.4095","0.0008","102.652","0.002","95.2089","0.0019","101.729","0.004","890.65","0.08","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H25 Cl N2 O S -","- C16 H25 Cl N2 O S -","- C32 H50 Cl2 N4 O2 S2 -","2","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0917","0.0605","","","0.1451","0.1706","","","","","","1.004","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026204","13.1061","0.0004","10.2071","0.0004","14.886","0.0005","90","","90.438","0.003","90","","1991.32","0.12","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl N2 O S -","- C17 H27 Cl N2 O S -","- C68 H108 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.113","0.0607","","","0.1736","0.2062","","","","","","1.221","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026205","6.4544","0.00021","12.33061","0.0004","16.15021","0.00059","90","","90","","90","","1285.34","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O S -","- C12 H20 N2 O S -","- C48 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0952","0.0543","","","0.149","0.1867","","","","","","1.24","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026206","8.7773","0.0003","11.8656","0.0005","14.594","0.0007","90","","90","","90","","1519.93","0.11","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O S -","- C13 H22 N2 O S -","- C52 H88 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0874","0.0516","","","0.1294","0.167","","","","","","1.117","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026207","10.2036","0.0004","8.6192","0.0003","10.5131","0.0006","90","","101.707","0.0016","90","","905.36","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H27 Cl N2 O S -","- C16 H27 Cl N2 O S -","- C32 H54 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0533","0.0414","","","0.1135","0.1419","","","","","","1.16","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026208","5.9363","0.0002","7.4643","0.0003","17.4672","0.0009","90","","96.8255","0.0014","90","","768.49","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N2 O S -","- C15 H24 N2 O S -","- C30 H48 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0855","0.0562","","","0.1482","0.1896","","","","","","1.216","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026209","17.6766","0.0005","17.6766","0.0005","12.3407","0.0002","90","","90","","120","","3339.4","0.14","173","2","173","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H66 Cl2 N4 O3 S2 -","- C36 H66 Cl2 N4 O3 S2 -","- C108 H198 Cl6 N12 O9 S6 -","3","0.5","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.1078","0.0653","","","0.1618","0.2121","","","","","","1.146","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026210","6.1794","0.0004","10.36","0.0007","27.9401","0.0018","90","","90","","90","","1788.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N3 O4 -","- C19 H18 F3 N3 O4 -","- C76 H72 F12 N12 O16 -","4","1","","Viktor O. Iaroshenko; Dmytro Ostrovskyi; Andranik Petrosyan; Satenik Mkrtchyan; Alexander Villinger; Peter Langer","Synthesis of Fluorinated Purine and 1-Deazapurine Glycosides as Potential Inhibitors of Adenosine Deaminase","Journal of Organic Chemistry","2011","76","","2899","2903","10.1021/jo102579g","","","0.71073","MoKα","","0.0474","0.0374","","","0.088","0.0928","","","","","","1.043","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026211","10.2659","0.0008","16.5538","0.0012","16.9975","0.0012","90","","90","","90","","2888.5","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Br N2 O -","- C30 H25 Br N2 O -","- C120 H100 Br4 N8 O4 -","4","1","","Takayoshi Arai; Makiko Wasai; Naota Yokoyama","Easy Access to Fully Functionalized Chiral Tetrahydro-β-Carboline Alkaloids","Journal of Organic Chemistry","2011","76","","2909","2912","10.1021/jo1025833","","","0.71073","MoKα","","0.1446","0.137","","","0.3728","0.38","","","","","","2.798","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026212","10.6539","0.0013","21.564","0.002","10.5326","0.0012","90","","90.132","0.001","90","","2419.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 S2 -","- C26 H26 N2 O4 S2 -","- C104 H104 N8 O16 S8 -","4","1","","Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou","TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","2448","2458","10.1021/jo2000176","","","0.71073","MoKα","","0.0972","0.047","","","0.1068","0.1394","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026213","8.2394","0.0008","11.41","0.0011","11.7344","0.0013","72.417","0.001","89.019","0.002","70.156","0.001","984.68","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Br2 N2 O4 S2 -","- C36 H54 Br2 N2 O4 S2 -","- C36 H54 Br2 N2 O4 S2 -","1","0.5","","Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou","TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","2448","2458","10.1021/jo2000176","","","0.71073","MoKα","","0.1226","0.0644","","","0.1546","0.1795","","","","","","1","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026214","5.352","0.009","7.214","0.011","35.96","0.06","90","","90.798","0.017","90","","1388","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S8 -","- C28 H22 S8 -","- C56 H44 S16 -","2","0.5","","Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao","Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems","Journal of Organic Chemistry","2011","76","","2701","2715","10.1021/jo2000447","","","0.71075","MoKα","","0.1218","0.1143","","","0.3427","0.359","","","","","","1.511","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026215","7.827","0.004","8.897","0.004","23.452","0.01","91.643","0.011","90.138","0.014","95.741","0.01","1624.2","1.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 S8 -","- C35 H25 S8 -","- C70 H50 S16 -","2","1","","Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao","Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems","Journal of Organic Chemistry","2011","76","","2701","2715","10.1021/jo2000447","","","0.71075","MoKα","","0.0772","0.0671","","","0.1791","0.1926","","","","","","1.093","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026216","6.0781","0.0019","12.324","0.004","19.719","0.006","90","","90","","90","","1477.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br N2 O3 -","- C13 H19 Br N2 O3 -","- C52 H76 Br4 N8 O12 -","4","1","","Guolin Cheng; Xinyan Wang; Rui Zhu; Changwei Shao; Jimin Xu; Yuefei Hu","Total Synthesis of (-)-Cocaine and (-)-Ferruginine","Journal of Organic Chemistry","2011","76","","2694","2700","10.1021/jo200069m","","","0.7107","MoKα","","0.0503","0.0357","","","0.058","0.0627","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026217","5.8249","0.0007","11.1726","0.0014","12.4624","0.0014","90","","90","","90","","811.04","0.17","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 B F3 N -","- C6 H13 B F3 N -","- C24 H52 B4 F12 N4 -","4","1","","Jessica Raushel; Deidre L. Sandrock; Kanth V. Josyula; Deborah Pakyz; Gary A. Molander","Reinvestigation of Aminomethyltrifluoroborates and Their Application in Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","2762","2769","10.1021/jo2001066","","","0.71073","MoKα","","0.0224","0.0221","","","0.0565","0.0568","","","","","","1.072","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026218","8.4494","0.0003","12.0453","0.0005","14.0749","0.0008","114.534","0.003","90.775","0.003","109.493","0.002","1208.98","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 N O6 Si -","- C23 H35 N O6 Si -","- C46 H70 N2 O12 Si2 -","2","1","","Jutatip Boonsompat; Albert Padwa","An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine","Journal of Organic Chemistry","2011","76","","2753","2761","10.1021/jo200125c","","","1.54178","CuKα","","0.0449","0.0349","","","0.0869","0.0931","","","","","","1.001","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026219","15.1192","0.0007","8.3556","0.0003","9.8683","0.0003","90","","90.894","0.003","90","","1246.51","0.08","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 N O4 -","- C15 H16 N O4 -","- C60 H64 N4 O16 -","4","1","","Jutatip Boonsompat; Albert Padwa","An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine","Journal of Organic Chemistry","2011","76","","2753","2761","10.1021/jo200125c","","","1.54178","CuKα","","0.0405","0.0378","","","0.1066","0.108","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026220","7.6398","0.0002","10.5667","0.0003","19.3868","0.0005","90","","90","","90","","1565.05","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H13 F3 N3 -","- C20 H13 F3 N3 -","- C80 H52 F12 N12 -","4","1","","Christos P. Constantinides; Panayiotis A. Koutentis; Harry Krassos; Jeremy M. Rawson; Anastasios J. Tasiopoulos","Characterization and Magnetic Properties of a ""Super Stable"" Radical 1,3-Diphenyl-7-trifluoromethyl-1,4-dihydro-1,2,4-benzotriazin-4-yl","Journal of Organic Chemistry","2011","76","","2798","2806","10.1021/jo200210s","","","0.71073","MoKα","","0.032","0.0285","","","0.0716","0.0724","","","","","","1.093","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026221","10.0656","0.0003","14.638","0.0003","16.2287","0.0004","90","","90","","90","","2391.14","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.0348","0.0331","","","0.0802","0.081","","","","","","1.094","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026222","11.71","0.002","18.933","0.003","13.1103","0.0019","90","","110.071","0.011","90","","2730.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N2 O4 S -","- C28 H40 N2 O4 S -","- C112 H160 N8 O16 S4 -","4","2","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.063","0.0508","","","0.1217","0.1292","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026223","18.8136","0.0007","12.6205","0.0004","16.4241","0.0007","90","","92.335","0.002","90","","3896.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C176 H136 F24 N16 O16 -","8","1","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.0503","0.0435","","","0.1069","0.1122","","","","","","1.034","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026224","21.235","0.017","8.271","0.007","13.904","0.011","90","","92.777","0.011","90","","2439","3","173.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C104 H108 Br4 O16 -","4","1","","Shuji Yamashita; Kentaro Iso; Kazuki Kitajima; Masafumi Himuro; Masahiro Hirama","Total Synthesis of Cortistatins A and J","Journal of Organic Chemistry","2011","76","","2408","2425","10.1021/jo2002616","","","0.7107","MoKα","","","0.0687","","","","0.1967","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026225","12.401","","9.151","","14.292","","90","","101.03","","90","","1591.92","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O6 S -","- C32 H38 O10 S -","- C64 H76 O20 S2 -","2","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1265","0.0496","","","0.1301","0.1509","","","","","","1.197","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026226","10.952","","11.122","","20.295","","90","","90","","90","","2472.1","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O8 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1891","0.0594","","","0.1053","0.1394","","","","","","0.947","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026227","8.304","","8.832","","27.774","","90","","90","","90","","2036.97","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C19 H25 N O7 S -","- C76 H100 N4 O28 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1438","0.0519","","","0.1131","0.1426","","","","","","1.008","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026228","16.3","0.004","9.767","0.002","10.675","0.002","90","","97.367","0.003","90","","1685.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C72 H72 Cl8 N8 O8 -","4","1","","Ming Li; Zhong-Min Zhou; Li-Rong Wen; Zhong-Xuan Qiu","Chemistry of Heterocyclic Ketene Aminals: Construction of Imidazo(pyrido)[1,2-a]pyridines and Imidazo(pyrido)[3,2,1-ij][1,8]naphthyridines via DABCO-Catalyzed Tandem Annulations","Journal of Organic Chemistry","2011","76","","3054","3063","10.1021/jo102167g","","","0.71073","MoKα","","0.0736","0.0671","","","0.1323","0.1359","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026229","7.0376","0.0014","24.005","0.005","8.5996","0.0017","90","","101.32","0.03","90","","1424.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Ming Li; Zhong-Min Zhou; Li-Rong Wen; Zhong-Xuan Qiu","Chemistry of Heterocyclic Ketene Aminals: Construction of Imidazo(pyrido)[1,2-a]pyridines and Imidazo(pyrido)[3,2,1-ij][1,8]naphthyridines via DABCO-Catalyzed Tandem Annulations","Journal of Organic Chemistry","2011","76","","3054","3063","10.1021/jo102167g","","","0.71073","MoKα","","0.0907","0.0493","","","0.1166","0.1525","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026230","10.5715","0.0013","10.8354","0.0013","15.3212","0.0019","89.97","0.0018","110.615","0.0016","90.8135","0.0018","1642.4","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","2","","Anthony J. Brockway; Marcos González-López; James C. Fettinger; Jared T. Shaw","Direct Displacement of Alkoxy Groups of Vinylogous Esters by Grignard Reagents","Journal of Organic Chemistry","2011","76","","3515","3518","10.1021/jo102537n","","","0.71073","MoKα","","0.0488","0.0404","","","0.1094","0.1142","","","","","","1.05","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026231","18.698","0.0005","30.7933","0.0007","31.393","0.0008","90","","90","","90","","18075.2","0.8","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H242 N6 O62 P2 Si2 W17 -","- C134 N6 O62 P2 Si2 W17 -","- C536 N24 O248 P8 Si8 W68 -","4","1","","B. Matt; S. Renaudineau; L.-M. Chamoreau; C. Afonso; G. Izzet; A. Proust","Hybrid Polyoxometalates: Keggin and Dawson Silyl Derivatives as Versatile Platforms","Journal of Organic Chemistry","2011","76","","3107","3112","10.1021/jo102546v","","","0.71073","MoKα","","0.0983","0.0751","","","0.1572","0.1764","","","","","","1.161","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026232","13.1671","0.0019","13.1671","0.0019","19.597","0.004","90","","90","","90","","3397.6","1","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H27 N3 O0 -","- C19 H27 N3 -","- C152 H216 N24 -","8","1","","Fei Wang; Shangjun Cai; Qian Liao; Chanjuan Xi","A Protocol to 2-Aminobenzimidazoles via Copper-Catalyzed Cascade Addition and Cyclization of o-Haloanilines and Carbodiimides","Journal of Organic Chemistry","2011","76","","3174","3180","10.1021/jo200014v","","","0.71073","MoKα","","0.1037","0.0877","","","0.1819","0.1905","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026233","9.3845","0.001","11.3527","0.0012","27.088","0.003","90","","90","","90","","2885.9","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H19 B10 N O -","- C8 H19 B10 N O -","- C64 H152 B80 N8 O8 -","8","1","","Rashmirekha Satapathy; Barada Prasanna Dash; Chong Zheng; John A. Maguire; Narayan S. Hosmane","Carboranylpyrroles: A Synthetic Investigation","Journal of Organic Chemistry","2011","76","","3562","3565","10.1021/jo2000463","","","0.71073","MoKα","","0.1012","0.101","","","0.1817","0.1818","","","","","","1.498","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026234","9.1735","0.0004","9.1735","0.0004","25.9022","0.0014","90","","90","","120","","1887.72","0.15","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C90 H84 N6 O12 S6 -","3","0.5","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0491","0.0393","","","0.0924","0.0967","","","","","","1.085","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026235","10.4123","0.0007","10.7934","0.0006","27.6152","0.0016","90","","90","","90","","3103.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C136 H144 N8 O16 S8 -","4","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.1128","0.0572","","","0.1072","0.1251","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026236","10.7373","0.0015","10.7373","0.0015","47.341","0.01","90","","90","","120","","4726.7","1.4","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C204 H216 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0841","0.0558","","","0.1275","0.1363","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026237","16.648","0.003","9.1111","0.0018","29.258","0.005","90","","90","","90","","4437.9","1.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","rac-2,2',5,5'-Tetrahydro-11,11'-binaphtho[2,3-b]oxepine","","- C31 H25 O2 -","- C31 H25 O2 -","- C248 H200 O16 -","8","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.2658","0.0778","","","0.1329","0.1958","","","","","","0.93","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026238","10.6948","0.0003","10.6948","0.0003","40.1721","0.0013","90","","90","","120","","3979.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine#","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C180 H168 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0594","0.0451","","","0.1119","0.1185","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026239","24.797","0.0018","24.797","0.0018","26.391","0.003","90","","90","","120","","14054","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C36.67 H36 O4 -","- C36.6667 H35.99 O4 -","- C660 H647.82 O72 -","18","1","","Tao Wang; Zi-Yang Li; An-Le Xie; Xiao-Jun Yao; Xiao-Ping Cao; Dietmar Kuck","Tribenzotriquinacenes Bearing Six-Fold Benzofuran Extensions: Electron-Rich C3v-Symmetrical Hosts for C60","Journal of Organic Chemistry","2011","76","","3231","3238","10.1021/jo2000918","","","0.71073","MoKα","","0.2088","0.0701","","","0.1643","0.2041","","","","","","0.743","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026240","19.4535","0.0011","7.3089","0.0003","22.1934","0.0012","90","","96.279","0.002","90","","3136.6","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","1","","Sylvie Goncalves; Stefano Santoro; Marc Nicolas; Alain Wagner; Philippe Maillos; Fahmi Himo; Rachid Baati","Cationic Cyclization of 2-Alkenyl-1,3-dithiolanes: Diastereoselective Synthesis of trans-Decalins","Journal of Organic Chemistry","2011","76","","3274","3285","10.1021/jo2001116","","","0.71073","MoKα","","0.0863","0.0518","","","0.1322","0.1587","","","","","","1.043","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026241","7.9416","0.0016","7.0441","0.0014","23.239","0.005","90","","92.42","0.03","90","","1298.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Chao Li; Shanghui Tu; Shuguang Wen; Shan Li; Junbiao Chang; Feng Shao; Xiaoguang Lei","Total Synthesis of the G2/M DNA Damage Checkpoint Inhibitor Psilostachyin C","Journal of Organic Chemistry","2011","76","","3566","3570","10.1021/jo2001275","","","0.71073","MoKα","","0.1048","0.0915","","","0.1969","0.2047","","","","","","1.194","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026242","22.357","0.005","10.23","0.002","18.278","0.004","90","","116.86","0.03","90","","3729.4","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H58 O10 -","- C38 H58 O10 -","- C152 H232 O40 -","4","0.5","","Chao Li; Shanghui Tu; Shuguang Wen; Shan Li; Junbiao Chang; Feng Shao; Xiaoguang Lei","Total Synthesis of the G2/M DNA Damage Checkpoint Inhibitor Psilostachyin C","Journal of Organic Chemistry","2011","76","","3566","3570","10.1021/jo2001275","","","0.71073","MoKα","","0.0873","0.0813","","","0.197","0.2015","","","","","","1.22","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026243","10.069","0.005","9.734","0.005","19.568","0.009","90","","93.939","0.007","90","","1913.4","1.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08111","","","- C20 H29 N O4 -","- C20 H29 N O4 -","- C80 H116 N4 O16 -","4","2","","Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh","Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides","Journal of Organic Chemistry","2011","76","","3246","3257","10.1021/jo200147h","","","0.71073","MoKα","","0.0934","0.0645","","","0.1358","0.1479","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026244","19.4943","0.0014","7.1177","0.0005","10.3329","0.0007","90","","93.7","0.001","90","","1430.75","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10149","","","- C15 H14 N2 O6 S -","- C15 H14 N2 O6 S -","- C60 H56 N8 O24 S4 -","4","1","","Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh","Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides","Journal of Organic Chemistry","2011","76","","3246","3257","10.1021/jo200147h","","","0.71073","MoKα","","0.0509","0.0385","","","0.0917","0.1032","","","","","","1.038","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026245","17.441","0.0003","14.2204","0.0003","11.6628","0.0003","90","","106.274","0.005","90","","2776.69","0.13","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C26 H7.5 N0.25 Sc0.75 -","- C26 H7.5 N0.25 Sc0.76 -","- C208 H60 N2 Sc6.08 -","8","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1368","0.1262","","","0.3336","0.3466","","","","","","1.86","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026246","34.2052","0.0014","24.701","0.0012","31.3815","0.0014","90","","110.573","0.002","90","","24823","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C170 H122.5 N8.5 O4 Sc1.5 Zn2 -","- C170 H122.5 N8.25 O4 Sc1.53 Zn2 -","- C1360 H980 N66 O32 Sc12.24 Zn16 -","8","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1867","0.1325","","","0.3027","0.3232","","","","","","1.806","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026247","14.3576","0.0005","45.9206","0.0015","21.1694","0.0005","90","","96.394","0.001","90","","13870.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C208 H104 N9 O4 Sc3 Zn2 -","- C211.879 H108.849 N9 O4 Sc3 Zn2 -","- C847.517 H435.396 N36 O16 Sc12 Zn8 -","4","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1278","0.1146","","","0.2886","0.3002","","","","","","1.013","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026248","12.803","0.008","23.382","0.013","33.72","0.03","90","","94.558","0.014","90","","10062","12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C118 H99 N10 O6 Zn2 -","- C118 H99 N10 O6 Zn2 -","- C472 H396 N40 O24 Zn8 -","4","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.71073","MoKα","","0.2318","0.099","","","0.2227","0.281","","","","","","1.221","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026249","7.2558","0.0002","11.0858","0.0004","12.0016","0.0004","90","","100.819","0.002","90","","948.21","0.05","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(7R,8S)-8-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl) -1-azabicyclo[5.2.0]nonane-9-thione","","- C16 H31 N O S Si -","- C16 H31 N O S Si -","- C32 H62 N2 O2 S2 Si2 -","2","1","","Magdalena Woźnica; Aleksandra Butkiewicz; Aneta Grzywacz; Patrycja Kowalska; Marek Masnyk; Karol Michalak; Roman Luboradzki; Filipp Furche; Holger Kruse; Stefan Grimme; Jadwiga Frelek","Ring-Expanded Bicyclic β-Lactams: A Structure-Chiroptical Properties Relationship Investigation by Experiment and Calculations","Journal of Organic Chemistry","2011","76","","3306","3319","10.1021/jo200171w","","","0.71073","MoKα","","0.0604","0.0521","","","0.1014","0.1082","","","","","","1.101","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026250","16.5754","0.0006","5.9062","0.0002","16.6481","0.0008","90","","98.622","0.002","90","","1611.39","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Koujiro Tambara; Nandhini Ponnuswamy; Gunther Hennrich; G. Dan Pantoş","Microwave-Assisted Synthesis of Naphthalenemonoimides and N-Desymmetrized Naphthalenediimides","Journal of Organic Chemistry","2011","76","","3338","3347","10.1021/jo200177s","","","0.71073","MoKα","","0.1072","0.0497","","","0.1084","0.1259","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026251","8.7677","0.0004","16.5022","0.0007","20.6975","0.0008","90","","90","","90","","2994.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 S -","- C32 H41 N O7 S -","- C128 H164 N4 O28 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0282","0.0276","","","0.0711","0.0716","","","","","","1.051","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026252","7.5083","0.0005","17.6294","0.001","18.7013","0.001","90","","90","","90","","2475.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0481","0.0429","","","0.121","0.1275","","","","","","1.063","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026253","9.0923","0.0005","15.3412","0.0006","17.4219","0.0009","90","","90","","90","","2430.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl [3R,3aS,4S,11bR,11cS,(S)S]-3-Ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0563","0.0395","","0.1019","0.0927","","","","1.049","1.06","1.06","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026254","10.273","0.0013","10.2509","0.0014","11.609","0.002","90","","92.675","0.011","90","","1221.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl [3S,3aS,4S,11bR,11cS,(S)S]-3-ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C52 H54 N2 O12 S2 -","2","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0439","0.037","","0.1028","0.0959","","","","1.054","1.053","1.053","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026255","6.928","0.002","8.502","0.003","25.635","0.008","90","","95.193","0.006","90","","1503.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 O6 -","- C12 H14 Br2 O6 -","- C48 H56 Br8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.0816","0.0436","","","0.0935","0.1291","","","","","","1.063","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026256","9.838","0.003","13.901","0.003","12.084","0.003","90","","107.725","0.004","90","","1574.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 O4 -","- C15 H14 Br2 O4 -","- C60 H56 Br8 O16 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.094","0.0494","","","0.1161","0.1721","","","","","","1.049","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026257","6.778","0.005","10.779","0.005","18.776","0.005","90","0.005","99.987","0.005","90","0.005","1351","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 B Br2 F2 O6 -","- C10 H9 B Br2 F2 O6 -","- C40 H36 B4 Br8 F8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71069","MoKα","","0.04","0.0337","","","0.0851","0.0879","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026258","16.458","0.006","6.3995","0.0019","13.491","0.005","90","","115.273","0.01","90","","1284.9","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","- C40 H40 Br8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.0658","0.0439","","","0.0998","0.1394","","","","","","1.102","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026259","5.7361","0.0003","13.5039","0.0006","19.7921","0.0008","90","","90","","90","","1533.09","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.1237","0.038","","","0.0476","0.0531","","","","","","0.925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026260","10.989","0.002","11.956","0.002","14.877","0.004","105.234","0.005","94.855","0.005","116.184","0.004","1646.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 Br N4 -","- C19 H11 Br N4 -","- C76 H44 Br4 N16 -","4","2","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.0892","0.0438","","","0.0976","0.1167","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026261","5.709","0.0002","16.6315","0.0005","20.8904","0.0007","90","","95.408","0.002","90","","1974.7","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 -","- C26 H20 N4 -","- C104 H80 N16 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.109","0.044","","","0.071","0.0767","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026262","22.3967","0.0009","4.798","0.0002","9.4977","0.0004","90","","90","","90","","1020.62","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H16 B N O4 -","- C8 H16 B N O4 -","- C32 H64 B4 N4 O16 -","4","1","","Jing Sun; Michael T. Perfetti; Webster L. Santos","A Method for the Deprotection of Alkylpinacolyl Boronate Esters","Journal of Organic Chemistry","2011","76","","3571","3575","10.1021/jo200250y","","x-ray","0.71073","MoKα","","0.0481","0.0368","","","0.0767","0.0792","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026263","7.9575","0.0004","12.5868","0.001","16.0983","0.001","90","","90","","90","","1612.4","0.18","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,7R)-5,6-dehydro-de-O-methyl-centrolobine","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Bernd Schmidt; Frank Hölter; Alexandra Kelling; Uwe Schilde","Pd-Catalyzed Arylation Reactions with Phenol Diazonium Salts: Application in the Synthesis of Diarylheptanoids","Journal of Organic Chemistry","2011","76","","3357","3365","10.1021/jo2002787","","","0.71073","MoKα","","0.0449","0.0358","","","0.0898","0.0925","","","","","","1.009","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026264","8.7826","0.0007","11.0357","0.0009","20.1586","0.0016","76.027","0.001","79.932","0.001","78.409","0.001","1840.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C104 H84 N4 -","4","2","","Trisha L. Andrew; Timothy M. Swager","Detection of Explosives via Photolytic Cleavage of Nitroesters and Nitramines","Journal of Organic Chemistry","2011","76","","2976","2993","10.1021/jo200280c","","","0.71073","MoKα","","0.0644","0.0493","","","0.1188","0.1294","","","","","","1.068","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026265","13.8401","0.0008","14.0384","0.0009","22.6045","0.0017","90","","90","","90","","4391.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H64 N8 O4 -","- C42 H64 N8 O4 -","- C168 H256 N32 O16 -","4","1","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.1093","0.071","","","0.1681","0.1827","","","","","","1.033","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026266","27.0758","0.0004","27.0758","0.0004","26.8021","0.0005","90","","90","","120","","17016.2","0.5","173","2","173","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C61.33 H91 Cu2 N15.67 O8 -","- C46 H68 Cu2 N8 O8 -","- C414 H612 Cu18 N72 O72 -","9","0.5","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.0407","0.0343","","","0.0747","0.0767","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026267","9.8346","0.0005","11.6403","0.0004","11.3098","0.0005","90","","112.693","0.002","90","","1194.49","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Br N O6 -","- C10 H14 Br N O6 -","- C40 H56 Br4 N4 O24 -","4","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.0338","0.0271","","","0.0648","0.0679","","","","","","1.039","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026268","8.5097","0.0007","10.9602","0.0005","12.5243","0.001","113.583","0.004","96.151","0.003","102.378","0.005","1021.1","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 F3 N O8 -","- C18 H22 F3 N O8 -","- C36 H44 F6 N2 O16 -","2","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.0982","0.0536","","","0.1067","0.1251","","","","","","1.026","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026269","9.9089","0.0004","16.8338","0.0007","17.9452","0.0007","90","","90","","90","","2993.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.1032","0.0537","","","0.1243","0.1508","","","","","","1.018","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026270","7.3168","0.0012","14.561","0.002","15.378","0.003","88.274","0.013","79.914","0.014","80.603","0.014","1591.4","0.5","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 O4 -","- C37 H48 O4 -","- C74 H96 O8 -","2","1","","Andrew J. Tilley; Stephen M. Danczak; Christine Browne; Timothy Young; Tina Tan; Kenneth P. Ghiggino; Trevor A. Smith; Jonathan White","Synthesis and Fluorescence Characterization of MEHPPV Oligomers","Journal of Organic Chemistry","2011","76","","3372","3380","10.1021/jo200336m","","","1.5418","CuKα","","0.1811","0.0615","","","0.1396","0.1696","","","","","","0.672","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026271","10.6042","0.0015","11.3172","0.0018","13.244","0.002","90.326","0.008","102.534","0.009","91.518","0.011","1550.9","0.4","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H37 N3 O5 S -","- C34 H37 N3 O5 S -","- C68 H74 N6 O10 S2 -","2","2","","Peng Chen; Jin Qu","Backbone Modification of β-Hairpin-Forming Tetrapeptides in Asymmetric Acyl Transfer Reactions","Journal of Organic Chemistry","2011","76","","2994","3004","10.1021/jo200403g","","","0.71075","MoKα","","0.0778","0.0695","","","0.2177","0.2218","","","","","","1.08","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026272","8.0786","0.0002","8.0786","0.0002","48.3211","0.0009","90","","90","","90","","3153.62","0.13","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","[2R,(S)S]-2-Methyl-3-oxo-2-[2-(p-tolylsulfinyl)phenyl]butanenitrile","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Asymmetric Synthesis of Benzylic Quaternary Difunctionalized Carbons Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2011","76","","3597","3603","10.1021/jo2004204","","","1.54178","CuKα","","0.0365","0.0326","","","0.0804","0.0823","","","","","","1.054","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026273","13.7711","0.0004","11.8146","0.0004","13.9067","0.0004","90","","105.365","0.001","90","","2181.75","0.12","123.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H21 B F2 I N3 O3 -","- C21 H8 B F2 I N3 O3 -","- C84 H32 B4 F8 I4 N12 O12 -","4","2","","Takuya Matsumoto; Yasuteru Urano; Yoshinori Takahashi; Yusuke Mori; Takuya Terai; Tetsuo Nagano","In Situ Evaluation of Kinetic Resolution Catalysts for Nitroaldol by Rationally Designed Fluorescence Probe","Journal of Organic Chemistry","2011","76","","3616","3625","10.1021/jo1020344","","","0.7107","MoKα","","","0.0513","","","","0.1686","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026274","8.3742","0.0002","12.4885","0.0002","27.9806","0.0007","90","","90","","90","","2926.24","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Mark V. Riofski; Jinu P. John; Mary M. Zheng; Julia Kirshner; David A. Colby","Exploiting the Facile Release of Trifluoroacetate for the α-Methylenation of the Sterically Hindered Carbonyl Groups on (+)-Sclareolide and (-)-Eburnamonine","Journal of Organic Chemistry","2011","76","","3676","3683","10.1021/jo102114f","","","1.54184","CU-Kα","","0.047","0.033","","","0.074","0.085","","","","","","1.122","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026275","8.2499","0.0009","8.2499","0.0009","42.596","0.01","90","","90","","90","","2899.1","0.8","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","2","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2421","0.0703","","","0.1091","0.1577","","","","","","0.914","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026276","7.817","0.006","8.455","0.007","33.54","0.03","90","","90","","90","","2217","3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 N O5 -","- C21 H35 N O5 -","- C84 H140 N4 O20 -","4","1","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2221","0.0891","","","0.2026","0.279","","","","","","0.963","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026277","14.545","0.003","14.937","0.003","19.953","0.005","108.353","0.008","99.477","0.01","91.92","0.008","4041.4","1.6","110","0.5","110","0.5","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C53.25 H47.25 Cl0.75 Cu N4 -","- C53 H47 Cl0.75 Cu N4 -","- C212 H188 Cl3 Cu4 N16 -","4","2","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","0.71073","MoKα","","0.1401","0.07","","","0.1381","0.1624","","","","","","1.02","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026278","35.073","0.013","18.943","0.009","23.102","0.011","90","","130.67","0.02","90","","11642","10","110","0.5","110","0.5","","","","","","","local laboratory","5","C 1 2/c 1","-C 2yc","15","","","","- C53.47 H31.47 Cl1.4 Cu N4 -","- C53.4667 H31.4667 Cl1.4 Cu N4 -","- C641.6 H377.6 Cl16.8 Cu12 N48 -","12","1.5","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","0.71073","MoKα","","0.3463","0.1339","","","0.2609","0.3433","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026279","11.9578","0.0007","13.0892","0.0006","15.4144","0.0008","68.471","0.004","68.114","0.004","75.445","0.004","2064.1","0.2","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C57 H29 Cu N7 -","- C57 H29 Cu N7 -","- C114 H58 Cu2 N14 -","2","1","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","1.54178","CuKα","","0.121","0.0937","","","0.2665","0.2895","","","","","","1.074","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026280","6.7062","0.0004","23.8749","0.0015","42.484","0.003","90","","90","","90","","6802.1","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B F2 N3 O -","- C20 H15.837 B F2 N3 O1.003 -","- C320 H253.392 B16 F32 N48 O16.048 -","16","2","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.1176","0.1048","","","0.2163","0.2227","","","","","","1.179","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026281","8.8527","0.0012","10.5888","0.0015","11.3977","0.0016","90.588","0.002","106.949","0.002","109.116","0.002","959","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 B F2 N3 O -","- C22 H20 B F2 N3 O -","- C44 H40 B2 F4 N6 O2 -","2","1","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.0667","0.0567","","","0.1689","0.1822","","","","","","1.037","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026282","13.1526","0.0004","15.4333","0.0005","38.6669","0.0011","90","","90","","90","","7848.9","0.4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O S2 -","- C20 H21 N3 O S2 -","- C320 H336 N48 O16 S32 -","16","2","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0918","0.0744","","","0.1633","0.1708","","","","","","1.19","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026283","9.7936","0.0009","11.1535","0.0009","14.1712","0.0012","110.199","0.004","95.882","0.004","108.694","0.004","1336","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N5 O S2 -","- C27 H35 N5 O S2 -","- C54 H70 N10 O2 S4 -","2","1","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0428","0.0359","","","0.0988","0.1033","","","","","","1.033","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026284","7.0373","0.0003","14.292","0.0007","14.6826","0.0008","90","","93.502","0.003","90","","1473.98","0.13","114","2","114","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O S -","- C17 H15 N3 O S -","- C68 H60 N12 O4 S4 -","4","1","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0906","0.0466","","","0.1052","0.1182","","","","","","0.735","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026285","10.025","0.0001","6.6166","0.0001","15.4445","0.0002","90","","90.983","0.001","90","","1024.3","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br2 N3 O -","- C23 H19 Br2 N3 O -","- C46 H38 Br4 N6 O2 -","2","1","","Zhi-Peng Hu; Chun-Liang Lou; Jin-Jia Wang; Chun-Xia Chen; Ming Yan","Organocatalytic Conjugate Addition of Malononitrile to Conformationally Restricted Dienones","Journal of Organic Chemistry","2011","76","","3797","3804","10.1021/jo200112r","","","1.54178","CuKα","","0.0203","0.0197","","","0.0538","0.0541","","","","","","1.034","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026286","6.7895","0.0006","11.8108","0.001","17.2811","0.0014","90.006","0.002","90.002","0.002","90","0.002","1385.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","5-syn-hydroxyMetpyr","N-t-butoxycarbonyl-5-syn-hydroxy-2-azabicyclo[2.1.1]hexane","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C56 H88 N8 O16 -","8","4","","Grant R. Krow; Ram Edupuganti; Deepa Gandla; Fang Yu; Matthew Sender; Philip E. Sonnet; Michael J. Zdilla; Charles DeBrosse; Kevin C. Cannon; Charles W. Ross; Amit Choudhary; Matthew D. Shoulders; Ronald T. Raines","Synthesis of Conformationally Constrained 5-Fluoro- and 5-Hydroxymethanopyrrolidines. Ring-Puckered Mimics of Gauche- and Anti-3-Fluoro- and 3-Hydroxypyrrolidines","Journal of Organic Chemistry","2011","76","","3626","3634","10.1021/jo200117p","","","0.71073","MoKα","","0.0739","0.0539","","","0.1431","0.1612","","","","","","1.032","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026287","10.4022","0.0015","11.7258","0.0017","11.7923","0.0017","82.894","0.003","70.861","0.003","86.657","0.003","1348.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 F3 N O3 -","- C26 H40 F3 N O3 -","- C52 H80 F6 N2 O6 -","2","1","","Punidha Sokkalingam; Chang-Hee Lee","Highly Sensitive Fluorescence ""Turn-On"" Indicator for Fluoride Anion with Remarkable Selectivity in Organic and Aqueous Media","Journal of Organic Chemistry","2011","76","","3820","3828","10.1021/jo200138t","","","0.71073","MoKα","","0.1602","0.0581","","","0.1504","0.187","","","","","","0.842","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026288","6.2624","0.0007","14.4474","0.0016","8.0465","0.0009","90","","107.326","0.001","90","","694.98","0.13","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 I N O3 -","- C5 H6 I N O3 -","- C20 H24 I4 N4 O12 -","4","1","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71073","MoKα","","0.0168","0.0148","","0.0344","0.0337","0.0329","","","","","","1.0552","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026289","9.1841","0.0003","10.313","0.0005","12.2949","0.0008","82.634","0.006","85.041","0.006","82.063","0.006","1141.04","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 I N O5 -","- C8 H14 I N O5 -","- C32 H56 I4 N4 O20 -","4","2","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71075","MoKα","","0.0573","0.0432","","0.1031","0.0926","0.1031","","","","","","0.9781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026290","6.5726","0.0001","12.6845","0.0002","11.8472","0.0008","90","","97.126","0.007","90","","980.07","0.07","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 I N O3 -","- C8 H10 I N O3 -","- C32 H40 I4 N4 O12 -","4","1","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71075","MoKα","","0.0166","0.0145","","0.0353","0.0346","0.0353","","","","","","1.0008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026291","6.8438","0.0003","6.9463","0.0003","12.6905","0.0007","90","","92.924","0.005","90","","602.51","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C26 H38 N2 O6 -","2","1","","Alexis Kotland; Fabien Accadbled; Koen Robeyns; Jean-Bernard Behr","Synthesis and Fucosidase Inhibitory Study of Unnatural Pyrrolidine Alkaloid 4-epi-(+)-Codonopsinine","Journal of Organic Chemistry","2011","76","","4094","4098","10.1021/jo200176u","","","0.71073","MoKα","","0.0461","0.0458","","","0.1157","0.1159","","","","","","1.231","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026292","26.598","0.002","5.0807","0.0007","20.974","0.0018","90","","111.055","0.013","90","","2645.1","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C120 H112 O40 -","8","2","","Tao Liu; Youming Wang; Guiping Wu; Haibin Song; Zhenghong Zhou; Chuchi Tang","Organocatalyzed Enantioselective Michael Addition of 2-Hydroxy-1,4-naphthoquinone to β,γ-Unsaturated α-Ketophosphonates","Journal of Organic Chemistry","2011","76","","4119","4124","10.1021/jo2002825","","","1.54187","CuKα","","0.058","0.0547","","","0.1394","0.1458","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026293","14.9487","0.0004","16.4549","0.0004","11.023","0.0002","90","","96.8176","","90","","2692.26","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 S -","- C16 H11 N3 S -","- C128 H88 N24 S8 -","8","2","","Takenori Mitamura; Kimiyo Iwata; Akiya Ogawa","Photoinduced Intramolecular Cyclization of o-Ethenylaryl Isocyanides with Organic Disulfides Mediated by Diphenyl Ditelluride","Journal of Organic Chemistry","2011","76","","3880","3887","10.1021/jo200299d","","","0.71075","MoKα","","","0.0386","","","","0.1013","","","","","","1.08","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026294","10.883","0.0005","8.5647","0.0004","14.0767","0.0006","90","","101.686","0.0013","90","","1284.89","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Takenori Mitamura; Kimiyo Iwata; Akiya Ogawa","Photoinduced Intramolecular Cyclization of o-Ethenylaryl Isocyanides with Organic Disulfides Mediated by Diphenyl Ditelluride","Journal of Organic Chemistry","2011","76","","3880","3887","10.1021/jo200299d","","","0.71075","MoKα","","","0.0281","","","","0.0706","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026295","11.7955","0.0017","11.7955","0.0017","28.477","0.004","90","","90","","90","","3962.1","1","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0921","0.0511","","","0.1041","0.1144","","","","","","1.013","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026296","22.34","0.002","6.8469","0.0006","17.6753","0.0016","90","","100.956","0.001","90","","2654.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C128 H136 N8 O16 -","4","1","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.1284","0.0987","","","0.2619","0.2788","","","","","","1.043","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026297","10.847","0.004","21.365","0.009","13.644","0.006","90","","90","","90","","3162","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O4 -","- C36 H42 N2 O4 -","- C144 H168 N8 O16 -","4","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0792","0.0756","","","0.1649","0.1665","","","","","","1.138","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026298","9.8528","0.0003","10.1429","0.0003","10.9377","0.0003","86.801","0.001","83.17","0.001","69.752","0.001","1018.12","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","rearranged PDIPA diboron","","","- C16 H32 B2 K N O5 -","- C16 H32 B2 K N O5 -","- C32 H64 B4 K2 N2 O10 -","2","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","","0.71073","MoKα","","0.044","0.0378","","","0.0988","0.103","","","","","","1.025","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026299","9.5436","0.0002","11.7206","0.0003","13.6397","0.0003","90","","90","","90","","1525.69","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R,R)-PDIPA diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","x-ray","1.54178","CuKα","","0.0386","0.0365","","","0.0973","0.0994","","","","","","1.089","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026300","9.5091","0.0003","11.82","0.0003","13.6947","0.0004","90","","90","","90","","1539.25","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pinacolato diisopropanolaminato diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","","0.71073","MoKα","","0.0571","0.0495","","","0.134","0.1433","","","","","","1.056","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026301","11.509","0.002","5.4181","0.0011","19.681","0.004","90","","99.37","0.003","90","","1210.9","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.075","0.054","","","0.128","0.1378","","","","","","1.086","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026302","5.2082","0.0005","24.327","0.002","10.8755","0.001","90","","103.476","0.002","90","","1340","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.0481","0.0444","","","0.1113","0.1138","","","","","","1.082","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026303","8.5306","0.0014","16.65","0.003","10.7514","0.0017","90","","107.421","0.003","90","","1457","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.07","0.0525","","","0.1174","0.1257","","","","","","0.956","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026304","10.9066","0.0015","8.1505","0.0011","12.412","0.0018","90","","113.038","0.007","90","","1015.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.0683","0.0406","","","0.072","0.0811","","","","","","0.954","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026305","10.913","0.008","8.164","0.006","12.409","0.009","90","","112.943","0.009","90","","1018.1","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.098","0.0547","","","0.1189","0.1362","","","","","","0.943","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026306","6.961","","8.318","","18.806","","90","","90","","90","","1088.9","","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Chih-Wei Chang; Rong-Jie Chein","Absolute Configuration of Anti-HIV-1 Agent (-)-Concentricolide: Total Synthesis of (+)-(R)-Concentricolide","Journal of Organic Chemistry","2011","76","","4154","4157","10.1021/jo2004132","","","0.71073","MoKα","","0.0455","0.0313","","","0.058","0.0625","","","","","","1.038","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026307","9.4716","0.0011","8.2895","0.0008","12.6979","0.0016","90","","99.295","0.012","90","","983.9","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C48 H40 O12 -","2","0.5","","Chih-Wei Chang; Rong-Jie Chein","Absolute Configuration of Anti-HIV-1 Agent (-)-Concentricolide: Total Synthesis of (+)-(R)-Concentricolide","Journal of Organic Chemistry","2011","76","","4154","4157","10.1021/jo2004132","","","0.71073","MoKα","","0.1452","0.0668","","","0.1434","0.1831","","","","","","1.045","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026308","8.1547","0.0002","22.8614","0.0004","24.6075","0.0004","90","","90","","90","","4587.52","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br F3 N2 O2 -","- C24 H22 Br F3 N2 O2 -","- C192 H176 Br8 F24 N16 O16 -","8","2","","Partha Ghosh; Jeffrey Aubé","Resolution of Carboxylic Acids Using Copper(I)-Promoted Removal of Propargylic Esters under Neutral Conditions","Journal of Organic Chemistry","2011","76","","4168","4172","10.1021/jo200433w","","","1.54178","CuKα","","0.0463","0.0449","","","0.1248","0.1258","","","","","","1.045","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026309","6.7056","0.0011","15.7761","0.001","8.0956","0.0008","90","","97.03","0.012","90","","849.98","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O4 S -","- C17 H17 N3 O4 S -","- C34 H34 N6 O8 S2 -","2","1","","Xiong-Li Liu; Zhi-Jun Wu; Xi-Lin Du; Xiao-Mei Zhang; Wei-Cheng Yuan","Amino-Indanol-Catalyzed Asymmetric Michael Additions of Oxindoles to Protected 2-Amino-1-nitroethenes for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing α,β-Diamino Functionality","Journal of Organic Chemistry","2011","76","","4008","4017","10.1021/jo2004378","","","0.71073","MoKα","","0.0303","0.0296","","","0.0712","0.0717","","","","","","1.051","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026310","7.7506","0.001","14.8393","0.0019","14.9278","0.0019","90","","92.947","0.002","90","","1714.6","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O22 -","- C29 H44 O22 -","- C58 H88 O44 -","2","1","","Yali Li; Jiansong Sun; Yanqing Gong; Biao Yu","Synthesis of Oligomeric 4-(Glycosyloxy)benzoate Macrocyclic Glycosides","Journal of Organic Chemistry","2011","76","","3654","3663","10.1021/jo200440r","","","0.71073","MoKα","","0.0648","0.051","","","0.1254","0.1364","","","","","","1.065","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026311","7.6466","0.0006","11.7186","0.0009","16.8849","0.0015","90","","90","","90","","1513","0.2","200","2","200","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0639","0.0555","","","0.1485","0.1584","","","","","","1.002","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026312","8.86","0.0001","17.561","0.0003","11.854","0.0002","90","","96.58","0.001","90","","1832.22","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0722","0.0547","","","0.1413","0.1592","","","","","","1.079","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026313","7.8754","0.0002","7.983","0.0002","14.3221","0.0004","92.42","0.002","91.209","0.002","96.622","0.001","893.31","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0494","0.0428","","","0.1209","0.1258","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026314","8.4592","0.0003","11.0674","0.0004","11.6506","0.0004","92.842","0.002","108.109","0.003","111.504","0.002","947.92","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0625","0.044","","","0.118","0.1314","","","","","","1.039","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026315","9.281","0.0003","10.1866","0.0004","11.8471","0.0004","65.299","0.002","87.753","0.002","68.65","0.002","939.25","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0699","0.0476","","","0.1372","0.1605","","","","","","1.041","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026316","8.5409","0.0005","9.9028","0.0007","12.1158","0.0009","65.82","0.005","89.73","0.004","73.515","0.003","889.09","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.1474","0.0832","","","0.1996","0.2468","","","","","","1.034","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026317","7.457","0.0004","9.906","0.0006","19.228","0.0009","90","","90","","90","","1420.35","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0712","0.0497","","","0.1122","0.1224","","","","","","1.047","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026318","7.575","0.0001","7.573","0.0001","45.441","0.001","90","","90","","90","","2606.74","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br N3 O4 -","- C10 H14 Br N3 O4 -","- C80 H112 Br8 N24 O32 -","8","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0831","0.0505","","","0.0752","0.0873","","","","","","1.071","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026319","9.429","0.0005","10.488","0.0005","14.172","0.0008","90","","108.53","0.003","90","","1328.83","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0802","0.0514","","","0.1383","0.1643","","","","","","0.878","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026320","13.2247","0.0016","8.406","0.0009","17.517","0.003","90","","106.67","0.015","90","","1865.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C72 H64 N8 O20 S4 -","4","1","","Yin-Huan Jin; Fan Fang; Xiang Zhang; Qing-Zhou Liu; Hao-Bo Wang; Shi-Kai Tian","Four-Component Reaction of N-Sulfonylimines, (Cyanomethylene)triphenylphosphorane, Nitromethane, and Formaldehyde for the Synthesis of 3-Substituted 2-Methylene-4-nitrobutanenitriles","Journal of Organic Chemistry","2011","76","","4163","4167","10.1021/jo200483n","","","1.54184","CuKα","","0.0952","0.0798","","","0.1376","0.1446","","","","","","1.057","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026321","10.922","0.008","20.395","0.014","25.136","0.017","68.929","0.008","81.221","0.009","81.589","0.009","5138","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H116 B4 F8 N10 -","- C102 H88 B4 F8 N10 -","- C204 H176 B8 F16 N20 -","2","1","","Daniel T. Chase; Brian S. Young; Michael M. Haley","Incorporating BODIPY Fluorophores into Tetrakis(arylethynyl)benzenes","Journal of Organic Chemistry","2011","76","","4043","4051","10.1021/jo200491m","","","0.71073","MoKα","","0.2196","0.0909","","","0.1953","0.2193","","","","","","1.008","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026322","16.683","0.018","3.89","0.004","17.188","0.019","90","0.002","115.15","0.003","90","0.002","1009.7","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","BTT-dimer","BTT-dimer","","- C24 H10 S6 -","- C24 H10 S6 -","- C48 H20 S12 -","2","0.5","","Tomoya Kashiki; Masahiro Kohara; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Synthesis and Characterization of Benzo[1,2-b:3,4-b':5,6-b'']trithiophene (BTT) Oligomers","Journal of Organic Chemistry","2011","76","","4061","4070","10.1021/jo2005044","","","0.7107","MoKα","","0.0966","0.0536","","","0.1207","0.1393","","","","","","0.869","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026323","10.255","0.005","15.864","0.007","17.626","0.008","66.049","0.012","84.591","0.015","89.059","0.016","2608","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C8BTT-dimer","C8BTT-dimer","","- C56 H74 S6 -","- C56 H74 S6 -","- C112 H148 S12 -","2","1","","Tomoya Kashiki; Masahiro Kohara; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Synthesis and Characterization of Benzo[1,2-b:3,4-b':5,6-b'']trithiophene (BTT) Oligomers","Journal of Organic Chemistry","2011","76","","4061","4070","10.1021/jo2005044","","","0.7107","MoKα","","0.1029","0.0622","","","0.1781","0.2286","","","","","","0.749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026324","13.2634","0.0008","9.4146","0.0006","16.7765","0.001","90","","108.687","0.001","90","","1984.4","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Vincent Gembus; Svetlana Postikova; Vincent Levacher; Jean-François Brière","Highly Regio- and Diastereoselective Anionic [3 + 2] Cycloaddition under Phase Transfer Catalytic Conditions","Journal of Organic Chemistry","2011","76","","4194","4199","10.1021/jo2005268","","x-ray","0.71073","MoKα","","0.0504","0.0418","","","0.1078","0.1138","","","","","","1.027","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026325","9.176","0.004","10.586","0.004","13.057","0.005","89.374","0.006","89.611","0.006","68.186","0.006","1177.4","0.8","293","1","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 Br2 O6 -","- C48 H58 Br2 O6 -","- C48 H58 Br2 O6 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0948","0.0583","","","0.1505","0.1618","","","","","","0.905","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026326","8.784","0.0012","10.474","0.0014","14.2802","0.0019","73.776","0.002","79.225","0.002","69.132","0.002","1173.1","0.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H64 O8 -","- C50 H64 O8 -","- C50 H64 O8 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.067","0.0602","","","0.1714","0.1784","","","","","","1.051","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026327","13.4243","0.0008","19.5187","0.0012","19.3669","0.0012","90","","97.755","0.001","90","","5028.2","0.5","173","1","173","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 O8 -","- C54 H72 O8 -","- C216 H288 O32 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0647","0.057","","","0.1613","0.1673","","","","","","1.074","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026328","9.1686","0.0006","10.181","0.0007","15.1314","0.001","74.467","0.001","76.682","0.001","69.341","0.001","1258.81","0.15","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 F6 O8 -","- C52 H62 F6 O8.4 -","- C52 H62 F6 O8.4 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0494","0.0458","","","0.128","0.131","","","","","","1.072","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026329","9.9296","0.0011","20.074","0.002","28.271","0.003","90","","96.792","0.002","90","","5595.6","1","173","1","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H76 O6 -","- C64 H76 O6 -","- C256 H304 O24 -","4","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0817","0.0681","","","0.1557","0.1632","","","","","","1.146","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026330","12.9147","0.001","14.1631","0.0011","17.6459","0.0014","88.827","0.001","73.188","0.001","81.017","0.001","3050.8","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C67.3 H82.2 Cl3 O6.3 -","- C67.3 H82.2 Cl3 O6.3 -","- C134.6 H164.4 Cl6 O12.6 -","2","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0807","0.0707","","","0.1982","0.206","","","","","","1.042","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026331","14.9665","0.0013","13.1868","0.0011","31.015","0.003","90","","90.337","0.002","90","","6121","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H82 N2 O6 -","- C68 H82 N2 O6 -","- C272 H328 N8 O24 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.1348","0.0998","","","0.2155","0.2329","","","","","","1.063","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026332","19.1205","0.0012","33.057","0.002","19.4205","0.0012","90","","106.776","0.001","90","","11752.6","1.3","173","1","173","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C65.5 H78 Cl1.5 O6 -","- C65.5 H78 Cl1.5 O6 -","- C524 H624 Cl12 O48 -","8","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0966","0.0679","","","0.1783","0.1933","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026333","19.543","0.0008","14.7238","0.0006","23.4858","0.001","90","","105.396","0.001","90","","6515.5","0.5","173","1","173","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H92 O6 -","- C78 H92 O6 -","- C312 H368 O24 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.1089","0.078","","","0.1738","0.1891","","","","","","1.05","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026334","11.0459","0.0003","22.6548","0.0005","12.0042","0.0003","90","","115.116","0.002","90","","2719.94","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H37 N O2 S Si -","- C25 H37 N O2 S Si -","- C100 H148 N4 O8 S4 Si4 -","4","2","","Bo Liu; Chong-Dao Lu","Asymmetric Synthesis of cis-2-Aminocyclopropanols by Intramolecular Mannich Addition of Silyloxy Benzyl Carbanions","Journal of Organic Chemistry","2011","76","","4205","4209","10.1021/jo200585r","","","0.71073","MoKα","","0.1393","0.0608","","","0.1128","0.1309","","","","","","0.999","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026335","12.988","0.003","12.188","0.002","23.837","0.005","90","","98.01","0.03","90","","3736.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl3 I N3 O6 -","- C42 H35 Cl3 I N3 O6 -","- C168 H140 Cl12 I4 N12 O24 -","4","1","","Peipei Cui; Liang Xu; Zhangjie Shi; Liangbing Gan","Synthesis of Decahydropyrrolo[2,1,5-cd]indolizine through Consecutive [2 + 3] Cycloadditions and 6-Exo-Trig Cyclization","Journal of Organic Chemistry","2011","76","","4210","4212","10.1021/jo200601y","","","0.71073","MoKα","","0.0503","0.0482","","","0.1116","0.1131","","","","","","1.132","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026336","7.856","0.006","16.164","0.012","13.794","0.01","90","","94.326","0.009","90","","1747","2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 S2 -","- C22 H16 N2 S2 -","- C88 H64 N8 S8 -","4","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0489","0.0383","","","0.1092","0.1159","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026337","7.5444","0.0015","10.573","0.002","14.34","0.003","85","0.03","85.59","0.02","78.26","0.03","1113.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S2 -","- C24 H21 Br N2 O2 S2 -","- C48 H42 Br2 N4 O4 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1081","0.0865","","","0.2033","0.2189","","","","","","0.925","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026338","8.0338","0.0014","10.95","0.0019","14.898","0.003","94.525","0.002","99.489","0.001","103.592","0.002","1246.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Br2 Cl3 N2 S2 -","- C23 H15 Br2 Cl3 N2 S2 -","- C46 H30 Br4 Cl6 N4 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0854","0.0526","","","0.138","0.1484","","","","","","0.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026339","11.0799","0.0012","11.4001","0.0012","14.4791","0.0015","87.593","0.002","71.357","0.001","62.879","0.002","1530.7","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H46 Cl6 N12 O S4 -","- C59 H46 Cl6 N12 O S4 -","- C59 H46 Cl6 N12 O S4 -","1","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1674","0.0768","","","0.1787","0.1981","","","","","","1.008","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026340","7.3376","0.0014","10.669","0.002","20.154","0.004","77.835","0.003","89.54","0.003","77.556","0.003","1504.9","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl3 N4 S2 -","- C33 H23 Cl3 N4 S2 -","- C66 H46 Cl6 N8 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1506","0.0511","","","0.0753","0.0877","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026341","8.4609","0.0019","11.516","0.003","13.513","0.003","87.678","0.003","86.804","0.002","87.208","0.003","1312.1","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cl3 N6 S2 -","- C27 H17 Cl3 N6 S2 -","- C54 H34 Cl6 N12 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0903","0.0677","","","0.2072","0.2275","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026342","8.163","0.008","11.131","0.011","11.562","0.011","88.605","0.014","77.241","0.016","78.707","0.015","1004.6","1.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F6 N4 P S -","- C20 H15 F6 N4 P S -","- C40 H30 F12 N8 P2 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1013","0.0642","","","0.1702","0.2068","","","","","","1.08","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026343","14.1891","0.0013","14.4246","0.0014","17.759","0.0017","76.417","0.001","84.655","0.001","76.239","0.001","3429","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N4 O2 S -","- C19 H16 N4 O2 S -","- C152 H128 N32 O16 S8 -","8","4","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0968","0.0493","","","0.094","0.1099","","","","","","0.872","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026344","5.992","0.004","7.978","0.005","9.542","0.007","67.835","0.018","71.955","0.019","77.75","0.02","399.3","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C14 H10 Br2 N4 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0346","0.0308","","","0.075","0.0762","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026345","8.1135","0.0016","11.169","0.002","12.788","0.003","96.786","0.003","98.909","0.002","104.079","0.003","1095.7","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Br2 Cl3 N4 S -","- C20 H11 Br2 Cl3 N4 S -","- C40 H22 Br4 Cl6 N8 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1157","0.078","","","0.2041","0.2222","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026346","7.973","0.005","22.289","0.013","10.729","0.006","90","","101.187","0.008","90","","1870.4","1.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 S3 -","- C20 H16 N4 S3 -","- C80 H64 N16 S12 -","4","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0597","0.0393","","","0.0913","0.0999","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026347","6.9905","0.0016","10.659","0.003","13.335","0.003","90","","108.125","0.003","90","","944.3","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br2 S4 -","- C18 H12 Br2 S4 -","- C36 H24 Br4 S8 -","2","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0596","0.0331","","","0.0612","0.0651","","","","","","0.874","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026348","11.211","0.005","7.868","0.003","16.06","0.007","90","","120.036","0.005","90","","1226.4","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 S4 -","- C28 H20 N2 S4 -","- C56 H40 N4 S8 -","2","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0601","0.035","","","0.0638","0.0697","","","","","","0.857","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026349","22.19","0.006","6.1816","0.0015","9.337","0.002","90","","91.448","0.004","90","","1280.3","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H11 Cl F4 N2 O S -","- C8 H11 Cl F4 N2 O S -","- C32 H44 Cl4 F16 N8 O4 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0671","0.0574","","","0.1544","0.1739","","","","","","1.011","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026350","25.2","0.005","5.6924","0.0011","11.547","0.002","90","","106.213","0.003","90","","1590.5","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H10 Cl F4 N O3 S -","- C12 H10 Cl F4 N O3 S -","- C48 H40 Cl4 F16 N4 O12 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0913","0.0843","","","0.2141","0.225","","","","","","1.053","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026351","7.31","0.005","11.771","0.005","13.336","0.005","86.844","0.005","79.135","0.005","89.79","0.005","1125.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 B F2 N2 -","- C29 H19 B F2 N2 -","- C58 H38 B2 F4 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71069","MoKα","","0.0571","0.0396","","","0.1012","0.112","","","","","","1.019","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026352","12.2879","0.0007","13.5015","0.001","14.9489","0.0012","67.988","0.003","67.773","0.004","67.228","0.004","2039.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 B N2 O2 S2 -","- C49 H41 B N2 O2 S2 -","- C98 H82 B2 N4 O4 S4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0668","0.0439","","","0.1043","0.117","","","","","","1.029","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026353","14.0948","0.001","20.313","0.0011","20.3589","0.0015","63.584","0.004","79.808","0.003","83.418","0.005","5133.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 B2 N4 O8 -","- C138 H90 B2 N4 O8 -","- C276 H180 B4 N8 O16 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1245","0.0849","","","0.235","0.2768","","","","","","1.074","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026354","11.119","0.004","11.674","0.003","15.572","0.004","78.73","0.02","73.51","0.02","66.73","0.02","1772.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 B N2 -","- C47 H33 B N2 -","- C94 H66 B2 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1017","0.0571","","","0.1438","0.1672","","","","","","1.036","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026355","11.0225","0.0006","12.7998","0.0007","17.1352","0.001","111.176","0.003","90.737","0.002","98.606","0.003","2223","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Bodipy-pyrene complex","","","- C52.5 H46 B Cl N2 O3 S2 -","- C51 H41 B N2 O2 S2 -","- C102 H82 B2 N4 O4 S4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1057","0.0763","","","0.2284","0.2515","","","","","","1.102","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026356","11.602","0.003","22.532","0.005","13.602","0.004","90","","118.34","0.02","90","","3129.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 B N2 O2 S2 -","- C35 H37 B N2 O2 S2 -","- C140 H148 B4 N8 O8 S8 -","4","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0648","0.0493","","","0.1354","0.1464","","","","","","1.044","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026357","11.294","0.004","13.299","0.003","14.735","0.004","101.78","0.02","110.03","0.02","102.17","0.02","1938.4","1.1","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H40.5 B N2.5 -","- C49 H33 B N2 -","- C98 H66 B2 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0911","0.0649","","","0.1879","0.2","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026358","14.1009","0.0003","12.1784","0.0002","17.5284","0.0004","90","","90","","90","","3010.09","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br N O -","- C16 H20 Br N O -","- C128 H160 Br8 N8 O8 -","8","1","","Andrew J. Clark; Dennis P. Curran; Joanna V. Geden; Natalie James; Paul Wilson","Bond Rotation Dynamics of Enamides: The Effect of the Acyl Group and Potential for Chirality Transfer during 5-Endo Trig Radical Cyclizations","Journal of Organic Chemistry","2011","76","","4546","4551","10.1021/jo200343z","","","0.71073","MoKα","","0.0606","0.0368","","","0.0909","0.0948","","","","","","1.038","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026359","33.679","0.003","33.679","0.003","13.0553","0.0014","90","","90","","120","","12824","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C29.17 H38.33 Cl0.33 N2 O3 -","- C29.1667 H38 Cl0.333333 N2 O3 -","- C525 H684 Cl6 N36 O54 -","18","1","","Sinan Wang; Lei Zhang; Xiao Ding; Yu Zhou; Jinfang Wang; Hualiang Jiang; Hong Liu","Synthesis of 2-Phenylnaphthalenes through Gold-Catalyzed Dimerization via a Highly Selective Carbon Nucleophile Pathway","Journal of Organic Chemistry","2011","76","","4514","4521","10.1021/jo200352j","","","0.71073","MoKα","","0.1283","0.0637","","","0.1811","0.2101","","","","","","0.837","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026360","14.2022","0.0011","14.2864","0.0009","11.7464","0.0011","90","","90","","90","","2383.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H0 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.0846","0.0527","","","0.1103","0.1255","","","","","","1.027","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026361","5.1335","0.0014","10.319","0.003","10.983","0.003","75.541","0.009","84.199","0.01","88.679","0.01","560.5","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C28 H28 N4 O2 -","2","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.1124","0.0924","","","0.2292","0.2469","","","","","","1.085","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026362","12.694","0.0001","16.2992","0.0001","8.3872","0.0001","90","","107.456","0.001","90","","1655.41","0.03","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Tillmann Kleine; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Cyclization Reactions of 3,4-Diazaheptatrienyl Metal Compounds. Pyridines from an Anionic Analogue of the Fischer Indole Synthesis: Experiment and Theory","Journal of Organic Chemistry","2011","76","","4591","4599","10.1021/jo200487v","","","1.54178","CuKα","","0.0573","0.0468","","","0.1187","0.128","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026363","9.1095","0.0002","12.3586","0.0003","13.9132","0.0003","90","","108.701","0.001","90","","1483.66","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Tillmann Kleine; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Cyclization Reactions of 3,4-Diazaheptatrienyl Metal Compounds. Pyridines from an Anionic Analogue of the Fischer Indole Synthesis: Experiment and Theory","Journal of Organic Chemistry","2011","76","","4591","4599","10.1021/jo200487v","","","0.71073","MoKα","","0.0588","0.0511","","","0.1196","0.1263","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026364","20.497","0.004","10.569","0.002","19.108","0.004","90","","90","","90","","4139.4","1.4","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C208 H184 N8 O16 -","8","2","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0482","0.0418","","","0.1083","0.1179","","","","","","1.053","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026365","9.5724","0.0013","10.2383","0.0015","11.9176","0.0016","101.788","0.002","113.095","0.002","99.135","0.002","1014","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cl2 N O -","- C25 H19 Cl2 N O -","- C50 H38 Cl4 N2 O2 -","2","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0639","0.046","","","0.1009","0.1101","","","","","","1.046","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026366","29.316","0.011","7.455","0.003","23.171","0.008","90","","103.778","0.003","90","","4918","3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 N6 O8 -","- C58 H58 N6 O8 -","- C232 H232 N24 O32 -","4","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0646","0.0567","","","0.1199","0.1252","","","","","","1.13","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026367","24.184","0.005","12.837","0.003","7.0688","0.0015","90","","92.193","0.004","90","","2192.9","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl2 N3 O -","- C25 H19 Cl2 N3 O -","- C100 H76 Cl8 N12 O4 -","4","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0676","0.0533","","","0.1085","0.1169","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026368","5.6912","0.0001","11.144","0.0003","12.9653","0.0004","85.9331","0.0012","84.5582","0.0012","87.1641","0.0016","815.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C40 H48 F2 N2 O2 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0816","0.048","","0.083","0.0493","0.046","","","","","","1.1348","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026369","6.5113","0.0001","14.8776","0.0002","35.9265","0.0006","90","","95.0616","0.0006","90","","3466.72","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C160 H192 F8 N8 O8 -","8","2","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0841","0.0457","","0.106","0.0927","0.106","","","","","","0.9597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026370","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026371","10.1973","0.0002","8.2488","0.0001","24.7522","0.0005","90","","96.244","0.0006","90","","2069.69","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F N O -","- C25 H28 F N O -","- C100 H112 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0639","0.0437","","0.1135","0.1042","0.1135","","","","","","0.9457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026372","8.5321","0.0001","15.4179","0.0002","18.4954","0.0003","90","","97.311","0.0007","90","","2413.24","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C108 H116 F4 N8 O16 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0547","0.042","","0.0995","0.0929","0.0995","","","","","","0.9927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026373","8.0438","0.0002","10.6147","0.0002","14.3517","0.0003","79.2464","0.001","84.2125","0.001","87.7064","0.0008","1197.45","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C54 H58 F2 N4 O8 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0447","0.037","","0.0946","0.0898","0.0946","","","","","","0.9809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026374","5.73792","0.00011","7.6761","0.0002","42.7479","0.0009","90","","90.9711","0.0018","90","","1882.55","0.07","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H38 F N O -","- C18 H38 F N O -","- C72 H152 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","1.54184","CuKα","","0.0736","0.0728","","0.0805","0.0792","0.0788","","","","","","0.9582","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026375","7.7469","0.0003","23.8598","0.0007","11.6208","0.0004","90","","92.848","0.003","90","","2145.33","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N2 O4 P -","- C22 H24 Cl N2 O4 P -","- C88 H96 Cl4 N8 O16 P4 -","4","1","","Deepti Verma; Shaikh Mobin; Irishi N. N. Namboothiri","Highly Selective Synthesis of Pyrazole and Spiropyrazoline Phosphonates via Base-Assisted Reaction of the Bestmann-Ohira Reagent with Enones","Journal of Organic Chemistry","2011","76","","4764","4770","10.1021/jo200582z","","","0.71073","MoKα","","0.0524","0.0383","","","0.0951","0.0988","","","","","","0.911","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026376","9.8119","0.0011","10.452","0.0012","11.1999","0.001","89.691","0.008","73.87","0.009","65.588","0.011","996.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl N2 O4 P -","- C20 H20 Cl N2 O4 P -","- C40 H40 Cl2 N4 O8 P2 -","2","1","","Deepti Verma; Shaikh Mobin; Irishi N. N. Namboothiri","Highly Selective Synthesis of Pyrazole and Spiropyrazoline Phosphonates via Base-Assisted Reaction of the Bestmann-Ohira Reagent with Enones","Journal of Organic Chemistry","2011","76","","4764","4770","10.1021/jo200582z","","","0.71073","MoKα","","0.0716","0.0437","","","0.1026","0.1094","","","","","","0.92","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026377","32.1162","0.0006","15.8781","0.0003","10.14064","0.00018","90","","105.405","0.0008","90","","4985.37","0.16","93.1","","93","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Cl N O4 S -","- C28 H29 Cl N O4 S -","- C224 H232 Cl8 N8 O32 S8 -","8","1","","Ryo Shintani; Keiichi Ikehata; Tamio Hayashi","Synthesis of Nine-Membered Azlactones by Palladium-Catalyzed Ring-Expansion of γ-Methylidene-δ-valerolactones with Aziridines","Journal of Organic Chemistry","2011","76","","4776","4780","10.1021/jo2006158","","","1.54187","CuKα","","","0.0483","","","","0.0616","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026378","11.214","0.0005","11.4761","0.0006","9.396","0.0005","90","","90","","90","","1209.2","0.11","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.1099","0.0959","","","0.1798","0.1896","","","","","","1.142","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026379","13.683","0.001","13.855","0.001","21.7621","0.0009","90","","102.485","0.006","90","","4028.1","0.5","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 Cu2 N6 O10 -","- C30 H43 Cu2 N6 O9 -","- C120 H172 Cu8 N24 O36 -","4","2","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0702","0.0549","","","0.1225","0.1322","","","","","","1.09","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026380","7.392","0.0003","17.8921","0.0013","8.029","0.0008","90","","101.047","0.005","90","","1042.23","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 Cu N3 O7 -","- C17 H29 Cu N3 O7 -","- C34 H58 Cu2 N6 O14 -","2","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0624","0.0536","","","0.1321","0.1415","","","","","","1.051","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026381","6.914","0.0003","7.7171","0.0005","9.616","0.0003","89.63","0.004","71.921","0.003","87.634","0.004","487.31","0.04","150","1","150","1","","","","","","","","5","P 1","P 1","1","","","","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","1","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0282","0.0279","","","0.0706","0.071","","","","","","1.086","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026382","8.8137","0.0003","14.3997","0.0004","11.5592","0.0004","90","","102.084","0.002","90","","1434.52","0.08","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","15a","","","- C28 H36 N2 O7 S -","- C28 H36 N2 O7 S -","- C56 H72 N4 O14 S2 -","2","1","","Ilker Avan; Srinivasa R. Tala; Peter J. Steel; Alan R. Katritzky","Benzotriazole-Mediated Syntheses of Depsipeptides and Oligoesters","Journal of Organic Chemistry","2011","76","","4884","4893","10.1021/jo200174j","","","0.71073","MoKα","","0.0722","0.0648","","","0.1565","0.1624","","","","","","1.068","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026383","15.8008","0.0011","15.8008","0.0011","16.9668","0.001","90","","90","","90","","4236","0.5","103","2","103","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cl2 Fe N4 -","- C20 H20 Cl2 Fe N4 -","- C160 H160 Cl16 Fe8 N32 -","8","0.25","","Thi My Uyen Ton; Ciputra Tejo; Stefani Tania; Joyce Wei Wei Chang; Philip Wai Hong Chan","Iron(II)-Catalyzed Amidation of Aldehydes with Iminoiodinanes at Room Temperature and under Microwave-Assisted Conditions","Journal of Organic Chemistry","2011","76","","4894","4904","10.1021/jo200284a","","","0.71073","MoKα","","0.1369","0.1241","","","0.2367","0.2426","","","","","","1.333","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026384","5.8079","0.0002","12.9919","0.0011","14.7368","0.0009","112.916","0.007","99.112","0.004","95.001","0.005","997.65","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N4 O3 -","- C23 H21 N4 O3 -","- C46 H42 N8 O6 -","2","1","","Jason C. Morris; John C. McMurtrie; Steven E. Bottle; Kathryn E. Fairfull-Smith","Generation of Profluorescent Isoindoline Nitroxides Using Click Chemistry","Journal of Organic Chemistry","2011","76","","4964","4972","10.1021/jo200613r","","","0.71073","MoKα","","0.0624","0.0364","","","0.0667","0.0695","","","","","","1.032","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026385","5.1178","0.0002","23.1935","0.0006","15.3254","0.0005","90","","99.668","0.003","90","","1793.28","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 S -","- C21 H17 N O3 S -","- C84 H68 N4 O12 S4 -","4","1","","Ming Yu; Zunjun Liang; Yongyong Wang; Yuhong Zhang","Palladium(II)-Catalyzed Direct Alkenylation and Arylation of Arenes: Removable 2-Pyridylsulfinyl Group Assisted C-H Bond Activation","Journal of Organic Chemistry","2011","76","","4987","4994","10.1021/jo200666z","","","1.54184","CuKα","","0.062","0.0445","","","0.1133","0.1278","","","","","","1.02","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026386","13.21","0.02","13.85","0.02","15.11","0.02","96.8","0.03","91.23","0.03","113.75","0.04","2505","6","120.1","","120.1","","","","","","","","","4","P -1","-P 1","2","","","","- C26.5 H36.5 N O5 -","- C26.5 H36.5 N O5 -","- C106 H146 N4 O20 -","4","2","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.067","","","","0.188","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026387","10.113","0.012","18","0.04","11.76","0.02","90","","92.005","0.011","90","","2139","7","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.048","","","","0.14","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026388","12.39","0.01","14.866","0.009","13.148","0.008","90","","109.19","0.008","90","","2287","3","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N O5 -","- C25 H33 N O5 -","- C100 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.067","","","","0.194","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026389","12.29","0.02","14.844","0.011","13","0.02","90","","112.15","0.02","90","","2197","5","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.046","","","","0.106","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026390","28.461","0.007","5.0778","0.0012","20.983","0.005","90","","98.344","0.004","90","","3000.3","1.2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,12-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C160 H128 S16 -","8","1","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0764","0.0477","","","0.1109","0.1318","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026391","8.7111","0.0017","8.7795","0.0017","19.621","0.004","90","","90","","90","","1500.6","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,11-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C80 H64 S8 -","4","0.5","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0518","0.0428","","","0.1186","0.1247","","","","","","1.113","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026392","9.8714","0.0005","10.7521","0.0005","22.9002","0.0011","90","","90","","90","","2430.6","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br F3 N O2 Si -","- C22 H31 Br F3 N O2 Si -","- C88 H124 Br4 F12 N4 O8 Si4 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0719","0.0456","","","0.1236","0.1444","","","","","","1.04","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026393","4.6758","0.0001","9.7426","0.0002","31.543","0.0006","90","","90","","90","","1436.92","0.05","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O2 -","- C16 H16 F3 N O2 -","- C64 H64 F12 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0441","0.0382","","","0.0982","0.1017","","","","","","1.079","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026394","8.6101","0.0003","11.18","0.0005","13.0969","0.0006","90","","90","","90","","1260.72","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0438","0.0366","","","0.0972","0.109","","","","","","1.111","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026395","8.5162","0.0003","16.3427","0.0006","17.5249","0.0005","90","","90","","90","","2439.08","0.14","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0519","0.0434","","","0.1113","0.1176","","","","","","0.946","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026396","29.779","0.003","12.9861","0.0015","8.9843","0.001","90","","92.459","0.002","90","","3471.1","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 N O7 S2 -","- C34 H37 N O6 S2 -","- C136 H148 N4 O24 S8 -","4","1","","Virginia M. Mastranzo; Francisco Yuste; Benjamín Ortiz; Rubén Sánchez-Obregón; Rubén A. Toscano; José L. García Ruano","Asymmetric Synthesis of (S)-(-)-Xylopinine. Use of the Sulfinyl Group as an Ipso Director in Aromatic SE","Journal of Organic Chemistry","2011","76","","5036","5041","10.1021/jo2007237","","","0.71073","MoKα","","0.0369","0.0357","","","0.0875","0.0882","","","","","","1.066","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026397","7.63","0.002","11.254","0.003","12.992","0.004","104.415","0.005","104.272","0.005","99.48","0.005","1016.3","0.5","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 N4 O S -","- C21 H18 Br2 N4 O S -","- C42 H36 Br4 N8 O2 S2 -","2","1","","Ken S. Feldman; Ahmed Yimam Nuriye; Jianfeng Li","Extending Pummerer Reaction Chemistry: Studies in the Palau'amine Synthesis Area","Journal of Organic Chemistry","2011","76","","5042","5060","10.1021/jo200740b","","","0.71073","MoKα","","0.0911","0.0707","","","0.1605","0.172","","","","","","1.041","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026398","8.838","0.002","12.387","0.003","13.856","0.004","93.905","0.004","98.513","0.004","103.071","0.004","1453.2","0.6","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","4,5-Dibromo-1H-pyrrole-2-carboxylic acid {2-[2-phenylsulfanyl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl] -cyclopentylmethyl}-amide","","- C26 H34 Br2 N4 O2 S Si -","- C26 H34 Br2 N4 O2 S Si -","- C52 H68 Br4 N8 O4 S2 Si2 -","2","1","","Ken S. Feldman; Ahmed Yimam Nuriye; Jianfeng Li","Extending Pummerer Reaction Chemistry: Studies in the Palau'amine Synthesis Area","Journal of Organic Chemistry","2011","76","","5042","5060","10.1021/jo200740b","","","0.71073","MoKα","","0.0442","0.0378","","","0.104","0.1078","","","","","","1.037","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026399","8.8595","0.0006","5.7645","0.0003","15.8715","0.0011","90","","103.206","0.007","90","","789.13","0.09","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0516","0.0415","","","0.0975","0.1019","","","","","","1.016","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026400","15.9869","0.0004","5.47925","0.00014","19.1891","0.0005","90","","103.603","0.003","90","","1633.74","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl O4 -","- C16 H23 Cl O4 -","- C64 H92 Cl4 O16 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0406","0.032","","","0.0762","0.0799","","","","","","1.039","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026401","7.8322","0.0002","11.278","0.0003","11.6378","0.0003","90","","98.353","0.002","90","","1017.08","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C44 H44 Cl4 O12 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0387","0.0303","","","0.0752","0.0791","","","","","","1.046","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026402","5.9601","0.0003","9.2461","0.0004","12.9839","0.0005","78.931","0.004","84.067","0.003","88.465","0.003","698.42","0.05","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0596","0.0395","","","0.0903","0.0967","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026403","11.1507","0.0003","5.88417","0.00015","27.9019","0.0008","90","","97.71","0.003","90","","1814.17","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl3 N O4 -","- C17 H20 Cl3 N O4 -","- C68 H80 Cl12 N4 O16 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.057","0.0427","","","0.0878","0.0937","","","","","","1.084","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026404","9.31754","0.00017","11.0378","0.0002","24.8795","0.0005","90","","91.28","0.0007","90","","2558.1","0.08","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl N O3 S -","- C12 H12 Cl N O3 S -","- C96 H96 Cl8 N8 O24 S8 -","8","2","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0468","","","","0.1304","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026405","8.67779","0.00016","12.6373","0.0002","17.1203","0.0003","90","","90","","90","","1877.48","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0471","","","","0.1054","","","","","","0.648","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026406","8.18197","0.00015","8.69418","0.00016","26.3682","0.0005","90","","90","","90","","1875.72","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0286","","","","0.066","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026407","8.3785","0.0004","12.3205","0.0004","8.555","0.0003","90","","90.842","0.003","90","","883.01","0.06","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl N2 O2 S -","- C19 H19 Cl N2 O2 S -","- C38 H38 Cl2 N4 O4 S2 -","2","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0385","","","","0.0906","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026408","18.7066","0.0013","9.9463","0.0007","19.1165","0.0013","90","","111.796","0.001","90","","3302.6","0.4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Mo O4 P2 -","- C36 H30 Cl2 Mo O4 P2 -","- C144 H120 Cl8 Mo4 O16 P8 -","4","1","","Hanit Marom; Svetlana Antonov; Yanay Popowski; Michael Gozin","Selective Sulfoxidation of Thioethers and Thioaryl Boranes with Nitrate, Promoted by a Molybdenum-Copper Catalytic System","Journal of Organic Chemistry","2011","76","","5240","5246","10.1021/jo2001808","","","0.71073","MoKα","","0.0334","0.0316","","","0.0826","0.0837","","","","","","1.098","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026409","10.2048","0.0015","10.4242","0.0016","12.0507","0.0018","76.208","0.003","72.247","0.003","89.803","0.003","1182.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O -","- C33 H24 O -","- C66 H48 O2 -","2","1","","Yifeng Chen; Yuanhong Liu","Gold-Catalyzed Approach to Multisubstituted Fulvenes via Cycloisomerization of Furan/Ynes","Journal of Organic Chemistry","2011","76","","5274","5282","10.1021/jo2004023","","","0.71073","MoKα","","0.0895","0.0546","","","0.1227","0.1378","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026410","13.252","0.004","8.312","0.003","16.889","0.005","90","","105.957","0.004","90","","1788.7","1","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","","Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu","Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics","Journal of Organic Chemistry","2011","76","","5450","5456","10.1021/jo200546a","","","0.71073","MoKα","","0.0606","0.049","","","0.1253","0.136","","","","","","1.084","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026411","9.8572","0.0008","23.3339","0.0018","5.9374","0.0005","90","","90","","90","","1365.64","0.19","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu","Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics","Journal of Organic Chemistry","2011","76","","5450","5456","10.1021/jo200546a","","","0.71073","MoKα","","0.0329","0.0316","","","0.0852","0.0864","","","","","","1.079","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026412","6.292","0.0003","17.3537","0.0009","14.9263","0.0007","90","","91.041","0.002","90","","1629.53","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 -","- C20 H15 Cl N2 -","- C80 H60 Cl4 N8 -","4","1","","Murali Mohan Guru; Md Ashif Ali; Tharmalingam Punniyamurthy","Copper-Mediated Synthesis of Substituted 2-Aryl-N-benzylbenzimidazoles and 2-Arylbenzoxazoles via C-H Functionalization/C-N/C-O Bond Formation","Journal of Organic Chemistry","2011","76","","5295","5308","10.1021/jo2005632","","","0.71073","MoKα","","0.0589","0.0413","","","0.1218","0.1309","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026413","11.628","0.003","16.214","0.004","16.79","0.004","90.054","0.012","108.304","0.012","98.224","0.012","2970.9","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H69 B3 F6 N6 O2 -","- C65 H69 B3 F6 N6 O2 -","- C130 H138 B6 F12 N12 O4 -","2","1","","Cliferson Thivierge; Junyan Han; Roxanne M. Jenkins; Kevin Burgess","Fluorescent Proton Sensors Based on Energy Transfer","Journal of Organic Chemistry","2011","76","","5219","5228","10.1021/jo2005654","","","1.54178","CuKα","","0.3493","0.0839","","","0.1357","0.2474","","","","","","1.068","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4026414","7.064","0.007","8.268","0.003","11.578","0.005","75.57","0.03","78.55","0.06","87.06","0.06","641.8","0.7","123","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C7 H6 O S -","- C7 H5.5 O S -","- C28 H22 O4 S4 -","4","2","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","0.71073","MoKα","","","0.06","","","0.061","","","","","1.231","1.231","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026415","13.169","0.009","7.432","0.002","14.718","0.009","90","","90","","90","","1440.5","1.4","123","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O S -","- C8 H8 O S -","- C64 H64 O8 S8 -","8","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.073","","","0.077","","","","","2.026","2.026","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026416","8.186","0.006","8.136","0.005","11.66","0.005","90","","109.45","0.05","90","","732.3","0.8","123","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O S -","- C8 H8 O S -","- C32 H32 O4 S4 -","4","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.054","","","0.067","","","","","2.005","2.005","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026417","9.0201","0.0005","9.6539","0.0006","9.7094","0.0006","90","","115.065","0.001","90","","765.86","0.08","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O S -","- C20 H18 O S -","- C40 H36 O2 S2 -","2","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0302","0.0296","","","0.076","0.0765","","","","","","1.054","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026418","11.981","0.0009","11.8519","0.001","11.4924","0.0009","90","","101.079","0.002","90","","1601.5","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0509","0.0396","","","0.0841","0.0886","","","","","","1.044","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026419","9.503","0.002","20.788","0.004","9.877","0.002","90","","116.184","0.004","90","","1751","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0713","0.054","","","0.1699","0.1798","","","","","","1.182","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026420","8.2352","0.001","10.6341","0.0013","17.786","0.002","90","","94.111","0.002","90","","1553.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0676","0.042","","","0.0953","0.1066","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026421","13.344","0.002","16.574","0.003","15.857","0.002","90","","95.496","0.002","90","","3490.9","0.9","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H55 N2 O6 P S -","- C32 H55 N2 O6 P S -","- C128 H220 N8 O24 P4 S4 -","4","1","","Takehiro Yamagishi; Naoko Tashiro; Tsutomu Yokomatsu","Diastereoselective Synthesis of the Leu-Pro Type Phosphinyl Dipeptide Isostere","Journal of Organic Chemistry","2011","76","","5472","5476","10.1021/jo200669r","","","0.71073","MoKα","","0.052","0.04","","","0.1002","0.1077","","","","","","1.03","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026422","10.9707","0.0009","11.573","0.001","14.9262","0.0012","110.424","0.001","98.32","0.001","109.328","0.001","1601.7","0.2","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 N O6 P S -","- C30 H52 N O6 P S -","- C60 H104 N2 O12 P2 S2 -","2","1","","Takehiro Yamagishi; Naoko Tashiro; Tsutomu Yokomatsu","Diastereoselective Synthesis of the Leu-Pro Type Phosphinyl Dipeptide Isostere","Journal of Organic Chemistry","2011","76","","5472","5476","10.1021/jo200669r","","","0.71073","MoKα","","0.0591","0.0403","","","0.0935","0.1011","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026423","19.4783","0.0016","5.5238","0.0005","20.4967","0.0016","90","","111.076","0.001","90","","2057.8","0.3","213","2","213","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","9-methylphenanthrene","","","- C15 H12 -","- C15 H12 -","- C120 H96 -","8","2","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0722","0.0667","","","0.135","0.1375","","","","","","1.34","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026424","13.5583","0.0012","4.8269","0.0004","17.3642","0.0015","90","","105.136","0.002","90","","1096.97","0.16","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3,9-dimethylphenanthrene","","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0773","0.0541","","","0.1428","0.155","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026425","7.3229","0.0018","6.0225","0.0015","19.985","0.005","90","","90","","90","","881.4","0.4","143","1","143","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","2,6-dimethylnaphthalene","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0495","0.0385","","","0.1026","0.1106","","","","","","1.059","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026426","9.301","0.004","18.549","0.009","6.56","0.003","90","","90","","90","","1131.8","0.9","213","2","213","2","","","","","","","","2","P n a 21","P 2c -2n","33","","1,9-dimethylphenanthrene","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.046","0.0394","","","0.0983","0.1021","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026427","11.5823","0.0005","10.0172","0.0005","14.9684","0.0005","90","","99.262","0.004","90","","1714.03","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Fengtao Zhou; Jianguang Liu; Ke Ding; Jinsong Liu; Qian Cai","Copper-Catalyzed Tandem Reaction of Isocyanides with N-(2-Haloaryl)propiolamides for the Synthesis of Pyrrolo[3,2-c]quinolin-4-ones","Journal of Organic Chemistry","2011","76","","5346","5353","10.1021/jo2006939","","","0.71073","MoKα","","0.0844","0.0571","","","0.1428","0.1704","","","","","","1.034","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026428","6.418","0.0002","17.9496","0.0004","40.0556","0.001","90","","90","","90","","4614.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl3 N O4 -","- C22 H24 Cl3 N O4 -","- C176 H192 Cl24 N8 O32 -","8","2","","Paolo Tosatti; Amanda J. Campbell; David House; Adam Nelson; Stephen P. Marsden","Catalyst Control in Sequential Asymmetric Allylic Substitution: Stereodivergent Access to N,N-Diprotected Unnatural Amino Acids","Journal of Organic Chemistry","2011","76","","5495","5501","10.1021/jo200720c","","","0.71073","MoKα","","0.056","0.0431","","","0.0957","0.1019","","","","","","1.052","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026429","4.7721","0.001","8.0365","0.0016","31.58","0.006","90","","90","","90","","1211.1","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2'R,4'S,5'S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-yl) adenine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C48 H52 N20 O8 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.1211","0.0603","","","0.1278","0.15","","","","","","1.015","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026430","10.2887","0.0006","10.5055","0.0006","11.3704","0.0006","90","","90","","90","","1229","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1'S,2'S,4'S,5'R)-9-(1'-fluoro-4'-hydroxymethyl-3'-oxabicyclo[3.2.0] hept-2-yl)-9H-hypoxanthine","","- C12 H13 F N4 O3 -","- C12 H13 F N4 O3 -","- C48 H52 F4 N16 O12 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.036","0.0335","","","0.0884","0.0907","","","","","","1.019","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026431","12.4719","0.0007","11.9181","0.0009","15.2769","0.001","90","","94.271","0.007","90","","2264.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0784","0.0336","","","0.0674","0.0748","","","","","","0.771","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026432","8.6754","0.0006","18.9368","0.0012","12.4873","0.0009","90","","98.82","0.008","90","","2027.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0606","0.0298","","","0.0598","0.065","","","","","","0.818","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026433","13.3684","0.0006","15.8505","0.0008","32.327","0.0019","90","","90.052","0.004","90","","6850","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Br2 N2 O -","- C28 H18 Br2 N2 O -","- C336 H216 Br24 N24 O12 -","12","3","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.1701","0.0804","","","0.1647","0.2016","","","","","","0.91","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026434","8.7677","0.0006","9.8535","0.0008","13.3542","0.0011","94.163","0.007","100.662","0.006","103.469","0.006","1094.49","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H22 N2 O0.5 -","- C28 H20 N2 O -","- C56 H40 N4 O2 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0845","0.0474","","","0.0959","0.1062","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026435","9.0496","0.0009","10.2588","0.0011","13.4558","0.0014","91.748","0.008","97.676","0.008","107.654","0.008","1176.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.9 H26.1 N2 O1.15 -","- C29.9 H25.6 N2 O0.9 -","- C59.8 H51.2 N4 O1.8 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.1565","0.078","","","0.1577","0.1861","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026436","9.0578","0.0007","10.9639","0.0011","12.37","0.001","100.617","0.008","92.289","0.006","113.747","0.006","1096.26","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O3 -","- C28 H22 N2 O3 -","- C56 H44 N4 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0533","0.0377","","","0.0844","0.0893","","","","","","1.032","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026437","17.2776","0.0016","20.3298","0.0017","21.131","0.0019","63.514","0.004","76.354","0.004","73.522","0.004","6318.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 N4 O10 S4 Zn -","- C25 H33 N4 O10 S4 Zn -","- C200 H264 N32 O80 S32 Zn8 -","8","4","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.2365","0.0617","","","0.1497","0.2325","","","","","","0.977","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026438","8.7923","0.0009","20.225","0.0022","14.3873","0.0014","90","","106.642","0.007","90","","2451.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Br4 N8 O8 Zn2 -","- C46 H46 Br4 N8 O8 Zn2 -","- C92 H92 Br8 N16 O16 Zn4 -","2","0.5","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0893","0.0439","","","0.0941","0.1103","","","","","","1.013","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026439","8.7282","0.0006","20.3213","0.0015","14.6464","0.0011","90","","107.049","0.002","90","","2483.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H46 Br2 N10 O12 Zn2 -","- C46 H46 Br2 N10 O12 Zn2 -","- C92 H92 Br4 N20 O24 Zn4 -","2","1","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0758","0.0482","","","0.1074","0.1168","","","","","","1.031","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026440","29.0659","0.0014","13.3859","0.0006","22.1372","0.001","90","","106.56","0.002","90","","8255.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H91 N23 O31 Zn2 -","- C67 H91 N23 O31 Zn2 -","- C268 H364 N92 O124 Zn8 -","4","0.5","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0677","0.0504","","","0.1359","0.148","","","","","","1.021","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026441","8.236","0.003","16.744","0.006","17.667","0.007","109.518","0.012","101.221","0.013","95.073","0.012","2221.2","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 B F2 N2 O2 -","- C27 H25 B F2 N2 O2 -","- C108 H100 B4 F8 N8 O8 -","4","2","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.1312","0.0624","","","0.1527","0.1881","","","","","","0.98","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026442","24.8973","0.0006","11.438","0.0002","9.8194","0.0002","90","","92.5677","0.0014","90","","2793.52","0.1","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 B F6 N2 O4 -","- C31 H29 B F6 N2 O4 -","- C124 H116 B4 F24 N8 O16 -","4","0.5","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","1.54187","CuKa","","0.0478","0.0389","","","0.0963","0.103","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026443","16.897","0.003","23.457","0.002","21.571","0.002","90","","113.294","0.005","90","","7852.8","1.7","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H53 B Cl2 F2 N3 O2.26 -","- C40 H53 B Cl2 F2 N3 O2.2625 -","- C320 H424 B8 Cl16 F16 N24 O18.1 -","8","4","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0851","0.0597","","","0.1451","0.1573","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026444","12.052","0.004","12.904","0.006","13.351","0.004","79.952","0.016","86.514","0.015","66.794","0.015","1879","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H49 B Cl F6 N3 O2 -","- C39 H49 B Cl F6 N3 O2 -","- C78 H98 B2 Cl2 F12 N6 O4 -","2","1","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0466","0.0363","","","0.1067","0.114","","","","","","1.073","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026445","8.626","0.002","9.917","0.004","28.029","0.008","96.182","0.013","91.135","0.012","112.602","0.013","2195.8","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H62 B F6 N3 O3 -","- C45 H62 B F6 N3 O3 -","- C90 H124 B2 F12 N6 O6 -","2","1","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0699","0.0479","","","0.1508","0.1693","","","","","","1.038","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026446","11.8959","0.0007","7.2879","0.0003","22.7295","0.0018","90","","91.218","0.004","90","","1970.1","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Nugzar Ghavtadze; Rishikesh Narayan; Birgit Wibbeling; Ernst-Ulrich Würthwein","3-(Hetero)aryl-4-indolylamino-α-tetralones by Diastereoselective Internal Redox Cyclization: An ""Azaenamine"" Conjugate Addition","Journal of Organic Chemistry","2011","76","","5185","5197","10.1021/jo200896y","","","1.54178","CuKα","","0.0626","0.0451","","","0.1097","0.1234","","","","","","1.055","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026447","6.0519","0.0002","10.2844","0.0008","16.941","0.0008","74.927","0.005","88.001","0.004","77.262","0.005","992.79","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C48 H38 Cl2 N4 O2 -","2","1","","Nugzar Ghavtadze; Rishikesh Narayan; Birgit Wibbeling; Ernst-Ulrich Würthwein","3-(Hetero)aryl-4-indolylamino-α-tetralones by Diastereoselective Internal Redox Cyclization: An ""Azaenamine"" Conjugate Addition","Journal of Organic Chemistry","2011","76","","5185","5197","10.1021/jo200896y","","","1.54178","CuKα","","0.0788","0.0714","","","0.1862","0.1945","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026448","7.2408","0.0001","8.3225","0.0001","34.4966","0.0005","90","","90","","90","","2078.82","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Seb Caille; Rich Crockett; Krishnakumar Ranganathan; Xiang Wang; Jacqueline C. S. Woo; Shawn D. Walker","Catalytic Asymmetric Synthesis of a Tertiary Benzylic Carbon Center via Phenol-Directed Alkene Hydrogenation","Journal of Organic Chemistry","2011","76","","5198","5206","10.1021/jo200941r","","x-ray","1.54178","CuKα","","0.042","0.0386","","","0.0988","0.1017","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026449","7.049","0.0003","10.2248","0.0004","17.554","0.0007","96.555","0.001","100.854","0.001","98.834","0.001","1214.41","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 Cl O7 -","- C28 H27 Cl O7 -","- C56 H54 Cl2 O14 -","2","1","","Jingjing Ji; Xia Zhang; Yingguang Zhu; Yu Qian; Jing Zhou; Liping Yang; Wenhao Hu","Diastereoselectivity Switch in Cooperatively Catalyzed Three-Component Reactions of an Aryldiazoacetate, an Alcohol, and a β,γ-Unsaturated α-Keto Ester","Journal of Organic Chemistry","2011","76","","5821","5824","10.1021/jo102423c","","","0.71073","MoKα","","0.0339","0.0314","","","0.0811","0.0831","","","","","","1.053","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026450","19.0626","0.0017","9.812","0.0009","22.219","0.002","90","","112.814","0.002","90","","3830.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32.5 Br N4.5 O5 Se -","- C39 H32.5 Br N4.5 O5 Se -","- C156 H130 Br4 N18 O20 Se4 -","4","1","","Jianfeng Xu; Luling Wu; Xian Huang","Unexpected Formation of (E)-4-Alkene 1,3-Diketones from the Three-Component Reaction of Lithium Selenolates with 1-(1-Alkynyl)cyclopropyl Ketones and Aldehydes","Journal of Organic Chemistry","2011","76","","5598","5605","10.1021/jo2005439","","","0.71073","MoKα","","0.1282","0.0568","","","0.1689","0.1895","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026451","10.3903","0.0013","18.681","0.002","23.4","0.003","90","","90","","90","","4542","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl O4 -","- C27 H23 Cl O4 -","- C216 H184 Cl8 O32 -","8","2","","Cong Liu; Bo-Xuan Tan; Jia-Lu Jin; Yue-Yan Zhang; Nan Dong; Xin Li; Jin-Pei Cheng","Chiral Biscinchona Alkaloid Promoted Asymmetric Allylic Alkylation of 3-Substituted Benzofuran-2(3H)-ones with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2011","76","","5838","5845","10.1021/jo200557b","","","0.71075","MoKα","","0.0391","0.0352","","","0.0722","0.0738","","","","","","1.033","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026452","13.231","0.005","13.802","0.006","15.921","0.007","90","","108.532","0.008","90","","2757","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 N3 Pd -","- C36 H35 N3 Pd -","- C144 H140 N12 Pd4 -","4","1","","Timothy D. Lash; Alexandra M. Young; Jane M. Rasmussen; Gregory M. Ferrence","Naphthiporphyrins","Journal of Organic Chemistry","2011","76","","5636","5651","10.1021/jo200622s","","x-ray","0.71073","MoKα","","0.0562","0.0475","","","","0.1305","","","","","","1.044","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026453","18.41","0.05","8.05","0.02","21.55","0.06","90","","103.39","0.03","90","","3107","14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl N -","- C20 H16 Cl N -","- C160 H128 Cl8 N8 -","8","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.1477","0.0648","","","0.1031","0.1233","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026454","15.161","0.008","4.746","0.002","20.732","0.01","90","","108.051","0.007","90","","1418.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N -","- C19 H14 Cl N -","- C76 H56 Cl4 N4 -","4","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.1413","0.0542","","","0.1038","0.1361","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026455","9.216","0.004","12.671","0.005","12.559","0.005","90","","103.675","0.008","90","","1425","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H3.5 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.0699","0.039","","","0.0907","0.1043","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026456","9.4359","0.0008","9.7924","0.0008","9.9841","0.0008","110.441","0.008","114.906","0.008","93.239","0.007","761.22","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","quinoline","Pyrroloquinoline","","- C19 H14 I N -","- C19 H14 I N -","- C38 H28 I2 N2 -","2","1","","Akhilesh Kumar Verma; Satya Prakash Shukla; Jaspal Singh; Vineeta Rustagi","Synthesis of 5-Iodopyrrolo[1,2-a]quinolines and Indolo[1,2-a]quinolines via Iodine-Mediated Electrophilic and Regioselective 6-endo-dig Ring Closure","Journal of Organic Chemistry","2011","76","","5670","5684","10.1021/jo200638k","","","0.71073","MoKα","","0.038","0.0353","","","0.0913","0.0928","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026457","10.733","0.005","11.104","0.005","18.129","0.005","89.215","0.005","81.7","0.005","61.836","0.005","1881.2","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","HETROCYCLIC","INDOLOQUINOLINE","","- C24 H18 I N O -","- C24 H18 I N O -","- C96 H72 I4 N4 O4 -","4","2","","Akhilesh Kumar Verma; Satya Prakash Shukla; Jaspal Singh; Vineeta Rustagi","Synthesis of 5-Iodopyrrolo[1,2-a]quinolines and Indolo[1,2-a]quinolines via Iodine-Mediated Electrophilic and Regioselective 6-endo-dig Ring Closure","Journal of Organic Chemistry","2011","76","","5670","5684","10.1021/jo200638k","","","0.71073","MoKα","","0.0627","0.0523","","","0.1219","0.1271","","","","","","1.058","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026458","9.002","0.002","18.56","0.006","7.601","0.002","101.47","0.02","105.82","0.02","79.71","0.02","1187","0.6","200","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.3238","0.0755","","","0.1694","0.2467","","","","","","0.973","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026459","11.444","0.006","15.267","0.007","7.877","0.003","101.11","0.04","110.14","0.04","68.83","0.04","1201.2","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C54 H64 N4 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1736","0.0942","","","0.2414","0.2956","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026460","13.307","0.007","14.665","0.009","7.756","0.003","101.96","0.05","104.7","0.04","64.61","0.04","1314.2","1.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N O5 -","- C28 H20 N O5 -","- C56 H40 N2 O10 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1435","0.0654","","","0.194","0.237","","","","","","1.032","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026461","11.046","0.004","14.956","0.004","7.854","0.002","93.48","0.02","107.16","0.02","109.77","0.02","1147.9","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 F N O3 -","- C26 H32 F N O3 -","- C52 H64 F2 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.0824","0.0449","","","0.1202","0.1407","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026462","11.066","0.004","14.562","0.005","7.933","0.002","97.26","0.02","106.81","0.02","109.31","0.03","1119.5","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.0975","0.0442","","","0.106","0.1254","","","","","","1.077","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026463","8.969","0.004","18.975","0.01","7.594","0.002","100.72","0.04","106.73","0.03","80.41","0.04","1207.3","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H35 N O3 -","- C27 H35 N O3 -","- C54 H70 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1862","0.0592","","","0.1393","0.1799","","","","","","1.014","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026464","6.545","0.003","8.428","0.004","9.345","0.004","90","","94.64","0.007","90","","513.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C18 H26 N6 O10 -","2","1","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0673","0.051","","","0.1305","0.1901","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026465","10.368","0.012","6.633","0.007","12.241","0.013","90","","99.138","0.018","90","","831.1","1.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 N O5 -","- C7 H10 N O5 -","- C28 H40 N4 O20 -","4","2","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0716","0.0526","","","0.1466","0.1763","","","","","","0.749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026466","4.558","","6.828","","29.676","","90","","90","","90","","923.577","","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C16 H26 N2 O12 -","- C16 H26 N2 O12 -","- C32 H52 N4 O24 -","2","0.5","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0719","0.0534","","","0.1079","0.1341","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026467","5.875","0.005","9.353","0.004","12.52","0.005","90","","97.43","0.005","90","","682.2","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1227","0.0583","","","0.1357","0.1913","","","","","","1.047","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026468","9.729","0.001","13.881","0.002","13.377","0.001","90","","104.05","","90","","1752.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71073","MoKα","","0.1223","0.0584","","","0.1515","0.1901","","","","","","1.047","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026469","9.698","0.005","15.006","0.003","13.004","0.004","90","","111.66","0.005","90","0.004","1758.8","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.274","0.0874","","","0.1408","0.2035","","","","","","0.98","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026470","14.822","0.005","7.99","0.003","15.408","0.005","90","","92.48","0.005","90","","1823","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1565","0.0755","","","0.202","0.2473","","","","","","0.854","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026471","9.766","0.005","15.452","0.003","12.887","0.005","90","","110.76","0.005","90","","1818.4","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1229","0.0575","","","0.1499","0.1786","","","","","","0.86","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026472","8.074","0.005","10.504","0.003","12.459","0.005","100.8","0.005","93.35","0.004","104.97","0.005","996.3","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C42 H58 N2 O8 -","2","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.0829","0.0451","","","0.1171","0.1493","","","","","","0.887","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026473","6.588","0.0001","13.13","0.0003","18.398","0.0003","90","","90","","90","","1591.44","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Yolanda Pérez-Fuertes; James E. Taylor; David A. Tickell; Mary F. Mahon; Steven D. Bull; Tony D. James","Asymmetric Strecker Synthesis of α-Arylglycines","Journal of Organic Chemistry","2011","76","","6038","6047","10.1021/jo200528s","","","0.71073","MoKα","","0.0661","0.0399","","","0.0855","0.096","","","","","","1.037","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026474","8.9785","0.0009","11.6414","0.0012","14.8917","0.0017","74.345","0.007","84.975","0.006","83.654","0.006","1486.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Cl O4 -","- C15 H17 Cl O4 -","- C60 H68 Cl4 O16 -","4","2","","Xiaoyi Chen; Dongxu Chen; Zenghui Lu; Lichun Kong; Gangguo Zhu","Palladium-Catalyzed Coupling of Haloalkynes with Allyl Acetate: A Regio- and Stereoselective Synthesis of (Z)-β-Haloenol Acetates","Journal of Organic Chemistry","2011","76","","6338","6343","10.1021/jo2005318","","","0.71073","MoKα","","0.0797","0.0446","","","0.1188","0.1373","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026475","9.498","0.0005","16.8744","0.0008","19.4763","0.001","90","","90","","90","","3121.5","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Xiaoyi Chen; Dongxu Chen; Zenghui Lu; Lichun Kong; Gangguo Zhu","Palladium-Catalyzed Coupling of Haloalkynes with Allyl Acetate: A Regio- and Stereoselective Synthesis of (Z)-β-Haloenol Acetates","Journal of Organic Chemistry","2011","76","","6338","6343","10.1021/jo2005318","","","0.71073","MoKα","","0.0499","0.0426","","","0.1107","0.1159","","","","","","1.057","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026476","9.14269","0.00017","9.68223","0.00018","30.1893","0.0006","90","","93.6506","0.0012","90","","2666.98","0.09","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H62 Cl4 N2 O4 -","- C57 H62 Cl4 N2 O4 -","- C114 H124 Cl8 N4 O8 -","2","1","","Takuya Hashimoto; Hidenori Kimura; Hiroki Nakatsu; Keiji Maruoka","Synthetic Application and Structural Elucidation of Axially Chiral Dicarboxylic Acid: Asymmetric Mannich-type Reaction with Diazoacetate, (Diazomethyl)phosphonate, and (Diazomethyl)sulfone","Journal of Organic Chemistry","2011","76","","6030","6037","10.1021/jo2005999","","","1.54187","CuKα","","","0.0749","","","","0.2198","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026477","13.233","0.0007","14.1032","0.0008","14.6106","0.0008","100.398","0.001","91.499","0.001","115.592","0.001","2402.1","0.2","143","2","143","2","","","","","","","","2","P -1","-P 1","2","","","","- C176 H56 -","- C176 H56 -","- C176 H56 -","1","0.5","","Wei-Wei Yang; Zong-Jun Li; Xiang Gao","Formation of Singly Bonded PhCH2C60-C60CH2Ph Dimers from 1,2-(PhCH2)HC60 via Electroreductive C60-H Activation","Journal of Organic Chemistry","2011","76","","6067","6074","10.1021/jo2006768","","","0.71073","MoKα","","0.1449","0.0974","","","0.2508","0.2851","","","","","","1.051","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026478","11.3133","0.0006","10.1857","0.0004","14.3493","0.0009","90","","108.054","0.006","90","","1572.11","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31 H28 Br N3 O7 -","- C31 H28 Br N3 O7 -","- C62 H56 Br2 N6 O14 -","2","1","","Nikola Pavlov; Pierre Gilles; Claude Didierjean; Emmanuel Wenger; Emilia Naydenova; Jean Martinez; Monique Calmès","Asymmetric Synthesis of β2-Tryptophan Analogues via Friedel-Crafts Alkylation of Indoles with a Chiral Nitroacrylate","Journal of Organic Chemistry","2011","76","","6116","6124","10.1021/jo200733t","","x-ray","0.71073","MoKα","","0.0713","0.0537","","","0.1171","0.1274","","","","","","0.993","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026479","10.7713","0.0012","18.247","0.002","17.767","0.002","90","","93.433","0.002","90","","3485.7","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H57 K O3 -","- C41 H57 K O3 -","- C164 H228 K4 O12 -","4","1","","Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa","Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2011","76","","6095","6100","10.1021/jo200748m","","","0.71073","MoKα","","0.105","0.0804","","","0.2369","0.3209","","","","","","1.453","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026480","13.787","0.003","15.652","0.004","15.063","0.004","90","","112.361","0.004","90","","3006.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl2 F6 O Sb -","- C30 H35 Cl2 F6 O Sb -","- C120 H140 Cl8 F24 O4 Sb4 -","4","1","","Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa","Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2011","76","","6095","6100","10.1021/jo200748m","","","0.71073","MoKα","","0.0949","0.0664","","","0.1492","0.1628","","","","","","1.125","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026481","5.6864","0.0006","7.6634","0.001","10.3029","0.001","109.174","0.004","96.472","0.005","101.156","0.005","408.46","0.08","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C18 H16 N4 O4 -","2","1","","Matthew Bancerz; Michael K. Georges","Verdazyl Radicals as Substrates for Organic Synthesis: A Synthesis of 3-Methyl-5-aryl-1,3,4-oxadiazolones","Journal of Organic Chemistry","2011","76","","6377","6382","10.1021/jo200820g","","","0.71073","MoKα","","0.0649","0.0456","","","0.1126","0.1264","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026482","9.7248","0.0003","10.2761","0.0003","13.0872","0.0003","92.22","0.002","109.872","0.003","97","0.003","1216.29","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N7 O13 -","- C23 H15 N7 O13 -","- C46 H30 N14 O26 -","2","1","","Michael Mastalerz; Stefanie Sieste; Mila Cenić; Iris M. Oppel","Two-Step Synthesis of Hexaammonium Triptycene: An Air-Stable Building Block for Condensation Reactions to Extended Triptycene Derivatives","Journal of Organic Chemistry","2011","76","","6389","6393","10.1021/jo200843v","","","0.71073","MoKα","","0.0452","0.0395","","","0.1037","0.1069","","","","","","1.049","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026483","7.6538","0.0001","11.5537","0.0002","15.5946","0.0003","90","","90","","90","","1379.03","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O2 P -","- C13 H21 N2 O2 P -","- C52 H84 N8 O8 P4 -","4","1","","Yurii V. Svyaschenko; Bogdan B. Barnych; Dmitriy M. Volochnyuk; Nadiya V. Shevchuk; Aleksandr N. Kostyuk","Electrocyclization of Phosphahexatrienes: An Approach to λ5-Phosphinines","Journal of Organic Chemistry","2011","76","","6125","6133","10.1021/jo200847r","","","0.71073","MoKα","","0.032","0.0291","","","0.0704","0.0722","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026484","3.8298","0.0002","12.6432","0.0007","23.095","0.0014","90","","92.939","0.003","90","","1116.81","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acenaphtho[1,2-b]thieno[3,4-e]pyrazine","Acenaphtho[1,2-b]thieno[3,4-e]pyrazine","","- C16 H8 N2 S -","- C16 H8 N2 S -","- C64 H32 N8 S4 -","4","1","","Jon P. Nietfeld; Ryan L. Schwiderski; Thomas P. Gonnella; Seth C. Rasmussen","Structural Effects on the Electronic Properties of Extended Fused-Ring Thieno[3,4-b]pyrazine Analogues","Journal of Organic Chemistry","2011","76","","6383","6388","10.1021/jo200850w","","","1.54178","CuKα","","0.0361","0.0337","","","0.0986","0.1112","","","","","","1.168","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026485","6.874","0.0002","15.5103","0.0004","17.3312","0.0005","90","","90","","90","","1847.81","0.09","296","2","296","2","","","","","","","synthetised","5","P b c n","-P 2n 2ab","60","","2-bromo-5-nitrobenzaldehyde O-methyloxime","","- C8 H7 Br N2 O3 -","- C8 H7 Br N2 O3 -","- C64 H56 Br8 N16 O24 -","8","1","","Emmanuelle Dubost; Christine Fossey; Thomas Cailly; Sylvain Rault; Frederic Fabis","Selective ortho-Bromination of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application to the Synthesis of Substituted 2-Bromobenzaldehydes","Journal of Organic Chemistry","2011","76","","6414","6420","10.1021/jo200853j","","","0.71073","MoKα","","0.0482","0.0295","","","0.0599","0.0648","","","","","","1.042","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026486","8.0476","0.0003","16.3132","0.0006","11.7439","0.0005","90","","91.959","0.002","90","","1540.86","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Prachi Singh; Abhishek Baheti; K. R. Justin Thomas","Synthesis and Optical Properties of Acidochromic Amine-Substituted Benzo[a]phenazines","Journal of Organic Chemistry","2011","76","","6134","6145","10.1021/jo200857p","","","0.71073","MoKα","","0.0914","0.0587","","","0.156","0.1796","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026487","7.9149","0.0018","13.363","0.003","14.764","0.004","90","","97.933","0.003","90","","1546.6","0.6","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.0675","0.0587","","","0.1621","0.17","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026488","19.809","0.015","10.437","0.007","15.931","0.012","90","","115.828","0.009","90","","2965","4","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C152 H96 N16 S8 -","8","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.1368","0.0817","","","0.1994","0.3098","","","","","","0.907","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026489","9.7454","0.0014","6.0857","0.0009","14.099","0.002","90","","99.027","0.002","90","","825.8","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Jun Xie; Yuelong Ma; David A Horne","Asymmetric Synthesis of the Core Structure of Leucosceptroids A-D","Journal of Organic Chemistry","2011","76","","6169","6176","10.1021/jo200899v","","","","","","","","","","","","","","","","","","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026490","10.3229","0.0016","7.8229","0.0012","11.7671","0.0018","90","","99.978","0.011","90","","935.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O -","- C23 H20 Cl N O -","- C46 H40 Cl2 N2 O2 -","2","1","","Ziping Cao; Zhaoqun Liu; Yilin Liu; Haifeng Du","Pd-Catalyzed Asymmetric Allylic Etherizations with Oximes by Chiral Alkene-Phosphine Ligands","Journal of Organic Chemistry","2011","76","","6401","6406","10.1021/jo200925q","","","1.54186","CuKα","","0.0374","0.0357","","","0.0827","0.0834","","","","","","1.112","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026491","9.39286","0.00012","7.87082","0.00008","12.69168","0.00017","90","","102.539","0.0013","90","","915.91","0.02","104","2","104","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Rui-jiong Lu; Yun-yun Yan; Jin-jia Wang; Quan-sheng Du; Shao-zhen Nie; Ming Yan","Organocatalytic Asymmetric Conjugate Addition and Cascade Acyl Transfer Reaction of α-Nitroketones","Journal of Organic Chemistry","2011","76","","6230","6239","10.1021/jo2009752","","","1.54184","CuKα","","0.0271","0.0259","","","0.066","0.0672","","","","","","1.046","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026492","7.8532","0.0004","7.8328","0.0004","15.11","0.0008","90","","93.534","0.003","90","","927.69","0.08","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O9 -","- C19 H21 N O9 -","- C38 H42 N2 O18 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0386","0.0345","","0.0863","0.083","0.0863","","","","","","1.0314","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026493","8.659","0.0002","35.4747","0.0009","9.0925","0.0002","90","","101.107","0.0012","90","","2740.68","0.11","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C46.63 H60.69 N8.315 O31.87 -","- C46.63 H54 N8.315 O31.87 -","- C93.26 H108 N16.63 O63.74 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0704","0.0504","","0.1098","0.1006","0.1098","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026494","10.0349","0.0003","5.879","0.0001","11.4499","0.0003","90","","113.627","0.0015","90","","618.87","0.03","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N O3 -","- C11 H14 Br N O3 -","- C22 H28 Br2 N2 O6 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0261","0.0249","","0.0651","0.0641","0.0651","","","","","","1.0093","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026495","9.7236","0.0002","13.2103","0.0002","14.0965","0.0002","90","","90","","90","","1810.72","0.05","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C80 H84 N4 O24 -","4","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0387","0.0341","","0.0873","0.0844","0.0873","","","","","","1.0024","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026496","8.6115","0.0008","7.9108","0.0008","11.263","0.0012","90","","105.651","0.006","90","","738.83","0.13","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.1015","0.0814","","0.236","0.2245","0.236","","","","","","1.0223","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026497","16.377","0.003","5.927","0.002","29.072","0.007","90","","87.537","0.017","90","","2819.3","1.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Yutaka Matsuda; Yusuke Endo; Yoko Saikawa; Masaya Nakata","Synthetic Studies on Polymaxenolides: Synthesis and Structure Elucidation of Nominal Epoxyafricanane and Other Africane-Type Sesquiterpenoids","Journal of Organic Chemistry","2011","76","","6258","6263","10.1021/jo2010186","","","0.71069","MoKα","","0.1726","0.1146","","","0.3713","0.4324","","","","","","1.627","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026498","8.656","0.0004","5.919","0.0002","13.168","0.0005","90","","104.521","0.002","90","","653.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O5 -","- C12 H12 Cl N O5 -","- C24 H24 Cl2 N2 O10 -","2","1","","Gonzalo Blay; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Alejandro Recuenco; Carlos Vila","Enantioselective Synthesis of Tertiary Alcohols through a Zirconium-Catalyzed Friedel-Crafts Alkylation of Pyrroles with α-Ketoesters","Journal of Organic Chemistry","2011","76","","6286","6294","10.1021/jo2010704","","","0.71073","MoKα","","0.0427","0.0347","","","0.097","0.1031","","","","","","0.998","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026499","9.3698","0.0009","12.8502","0.0012","21.309","0.002","90","","94.857","0.002","90","","2556.5","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N2 O4 Se -","- C30 H32 N2 O4 Se -","- C120 H128 N8 O16 Se4 -","4","1","","Timothy D. Lash; Kae Miyake; Linlin Xu; Gregory M. Ferrence","Synthesis of a Series of Aromatic Benziporphyrins and Heteroanalogues via Tripyrrane-Like Intermediates Derived from Resorcinol and 2-Methylresorcinol","Journal of Organic Chemistry","2011","76","","6295","6308","10.1021/jo201098c","","x-ray","0.71073","MoKα","","0.0307","0.0275","","","0.0757","0.0782","","","","","","1.031","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026500","8.095","0.0009","12.6448","0.0014","20.093","0.003","90","","90","","90","","2056.7","0.4","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br2 O4 -","- C22 H20 Br2 O4 -","- C88 H80 Br8 O16 -","4","1","","Patrick G. McGarraugh; Joshua H. Jones; Stacey E. Brenner-Moyer","A General Organocatalyzed Michael-Michael Cascade Reaction Generates Functionalized Cyclohexenes","Journal of Organic Chemistry","2011","76","","6309","6319","10.1021/jo201140a","","","0.71075","MoKα","","","0.0506","","","","0.1127","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026501","6.4729","0.0007","9.5197","0.001","30.427","0.003","90","","91.325","0.006","90","","1874.4","0.3","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O9 -","- C18 H22 N2 O9 -","- C72 H88 N8 O36 -","4","1","","Rakeshwar Bandichhor; Andrew N. Lowell; Marisa C. Kozlowski","Alternative Spiroketalization Methods toward Purpuromycin: A Hemiketal Conjugate Addition Strategy and Use of an Electron-Rich Isocoumarin Precursor","Journal of Organic Chemistry","2011","76","","6475","6487","10.1021/jo200398v","","","0.71073","MoKα","","0.0877","0.0762","","","0.1985","0.2052","","","","","","1.213","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026502","8.356","0.002","5.4364","0.0013","23.154","0.005","90","","95.498","0.003","90","","1047","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 F O2 -","- C13 H11 F O2 -","- C52 H44 F4 O8 -","4","2","","Jun-Ling Chen; Feng Zheng; Yangen Huang; Feng-Ling Qing","Synthesis of γ-Monofluorinated Goniothalamin Analogues via Regio- and Stereoselective Ring-Opening Hydrofluorination of Epoxide","Journal of Organic Chemistry","2011","76","","6525","6533","10.1021/jo200611w","","","0.71073","MoKα","","0.0443","0.0424","","","0.1236","0.1257","","","","","","1.081","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026503","9.1481","0.0006","13.7312","0.0009","14.6068","0.0009","74.556","0.001","73.613","0.001","79.902","0.001","1686.74","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Cl2 N O2 -","- C44 H31 Cl2 N O2 -","- C88 H62 Cl4 N2 O4 -","2","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.0674","0.0545","","","0.1341","0.1424","","","","","","1.023","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026504","9.2633","0.0007","12.7857","0.0008","13.783","0.001","74.876","0.006","72.754","0.007","79.222","0.006","1494.35","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N O2 -","- C43 H29 N O2 -","- C86 H58 N2 O4 -","2","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","1.54178","CuKα","","0.1049","0.0542","","","0.1359","0.1638","","","","","","0.88","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026505","21.1065","0.0015","6.0864","0.0004","12.9348","0.001","90","","90.95","0.004","90","","1661.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.1552","0.069","","","0.1684","0.1904","","","","","","1.014","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026506","14.0259","0.0006","6.2593","0.0003","24.8603","0.0011","90","","103.114","0.002","90","","2125.62","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl3 N O2 -","- C24 H18 Cl3 N O2 -","- C96 H72 Cl12 N4 O8 -","4","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.1054","0.0559","","","0.1474","0.1722","","","","","","0.925","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026507","7.6599","0.0015","9.3279","0.0019","16.515","0.003","90","","90","","90","","1180","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O6 S -","- C10 H10 N2 O6 S -","- C40 H40 N8 O24 S4 -","4","1","","Suneel P. Singh; Alex Michaelides; A. Rod Merrill; Adrian L. Schwan","A Microwave-Assisted Synthesis of (S)-N-Protected Homoserine γ-Lactones from l-Aspartic Acid","Journal of Organic Chemistry","2011","76","","6825","6831","10.1021/jo2008093","","","0.71073","MoKα","","0.0422","0.0346","","","0.0817","0.0867","","","","","","1.101","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026508","5.0855","0.0001","9.6271","0.0003","25.6576","0.0007","90","","90","","90","","1256.16","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Erin R. Graham; Rik R. Tykwinski","Chiral Propargyl Alcohols via the Enantioselective Addition of Terminal Di- and Triynes to Aldehydes","Journal of Organic Chemistry","2011","76","","6574","6583","10.1021/jo2008719","","","0.71073","MoKα","","0.0319","0.0312","","","0.086","0.0872","","","","","","1.084","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026509","8.1955","0.0007","10.7777","0.0008","17.285","0.0014","80.839","0.003","87.076","0.004","88.599","0.003","1505.1","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N5 O14 S -","- C29 H27 N5 O14 S -","- C58 H54 N10 O28 S2 -","2","1","","Roderick W. Bates; K. Sivarajan; Bernd F. Straub","A Synthesis of Pseudoconhydrine and Its Epimer via Hydroformylation and Dihydroxylation","Journal of Organic Chemistry","2011","76","","6844","6848","10.1021/jo2008912","","","0.71073","MoKα","","0.0972","0.0563","","","0.1379","0.1718","","","","","","1.075","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026510","22.688","0.0005","22.688","0.0005","8.4809","0.0003","90","","90","","90","","4365.5","0.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H21 Cl N2 O2 S -","- C24 H21 Cl N2 O2 S -","- C192 H168 Cl8 N16 O16 S8 -","8","1","","Yizhe Yan; Kun Xu; Yang Fang; Zhiyong Wang","A Catalyst-Free Benzylic C-H Bond Olefination of Azaarenes for Direct Mannich-like Reactions","Journal of Organic Chemistry","2011","76","","6849","6855","10.1021/jo2008934","","","0.71073","MoKα","","0.0824","0.0541","","","0.1708","0.1838","","","","","","1.069","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026511","7.7365","0.0004","10.5171","0.0006","19.434","0.0012","90","","90","","90","","1581.26","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","","Diego Núñez-Villanueva; M. Ángeles Bonache; Lourdes Infantes; M. Teresa García-López; Mercedes Martín-Martínez; Rosario González-Muñiz","Quaternary α,α-2-Oxoazepane α-Amino Acids: Synthesis from Ornithine-Derived β-Lactams and Incorporation into Model Dipeptides","Journal of Organic Chemistry","2011","76","","6592","6603","10.1021/jo200894d","","","1.54178","CuKα","","0.0936","0.0854","","","0.2173","0.2241","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026512","5.324","0.008","10.365","0.015","14.32","0.02","89.195","0.019","84.673","0.018","76.599","0.017","765.4","1.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Jun Yong Kang; Brian T. Connell","Palladium-Catalyzed Alkynylation of Secondary α-Bromo Carbonyl Compounds via Stille Coupling","Journal of Organic Chemistry","2011","76","","6856","6859","10.1021/jo200939u","","","0.71073","MoKα","","0.052","0.0422","","","0.1122","0.1182","","","","","","1.052","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026513","8.32986","0.0001","11.95103","0.00015","35.3621","0.0005","90","","90","","90","","3520.31","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1β-(6-Bromopyridin-3-yl)-1,3,5-tri -O-(tert-butyldimethylsilyl)-D-ribofuranose","","- C28 H54 Br N O5 Si3 -","- C28 H54 Br N O5 Si3 -","- C112 H216 Br4 N4 O20 Si12 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0412","0.038","","0.0496","0.0464","0.0464","","","","","","0.9277","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026514","5.03627","0.00013","10.7538","0.0003","10.169","0.0003","90","","97.824","0.002","90","","545.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-(5-Methylpyridin-2-yl)-1-deoxy-D-ribofuranose","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C22 H30 N2 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0413","0.0395","","0.0509","0.0475","0.0475","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026515","4.99794","0.00007","10.75451","0.00016","11.3672","0.00017","90","","91.1917","0.0013","90","","610.859","0.015","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylamino)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.03","0.0297","","0.0331","0.0328","0.0328","","","","","","1.0585","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026516","6.8778","0.0003","10.4003","0.0005","9.7635","0.0004","90","","105.007","0.005","90","","674.58","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylcarbamoyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0296","0.0291","","0.037","0.0369","0.0369","","","","","","0.9325","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026517","4.9831","0.0003","11.6287","0.0008","11.875","0.0008","90","","100.351","0.007","90","","676.92","0.08","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","1β-[5-(2-Thienyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C28 H30 N2 O8 S2 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0682","0.0554","","0.0808","0.0678","0.0678","","","","","","1.0708","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026518","8.8486","0.0013","9.5964","0.0014","27.377","0.004","90","","96.322","0.002","90","","2310.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 Ni O3 -","- C29 H21 N3 Ni O3 -","- C116 H84 N12 Ni4 O12 -","4","1","","Daizong Lin; Li Lv; Jiang Wang; Xiao Ding; Hualiang Jiang; Hong Liu","Preparation of α-Alkyl-β-Amino Acids via β-Alanine Ni(II) Complex","Journal of Organic Chemistry","2011","76","","6649","6656","10.1021/jo200971k","","","0.71073","MoKα","","0.0311","0.0284","","","0.0861","0.088","","","","","","1.076","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026519","13.979","0.004","7.47","0.002","19.413","0.004","90","","133.822","0.012","90","","1462.6","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C64 H52 Cl4 N8 O12 -","4","1","","Tom Verhelst; Jens Maes; Zuming Liu; Sergey Sergeyev; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Selective Bromine-Magnesium Exchange and Lactam Directed Ortho C-H Magnesiation","Journal of Organic Chemistry","2011","76","","6670","6677","10.1021/jo201009m","","","0.71073","MoKα","","0.0779","0.0553","","","0.1589","0.1762","","","","","","1.149","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026520","4.3122","0.0012","10.505","0.003","27.486","0.007","90","","90","","90","","1245.1","0.6","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C48 H44 Cl4 N8 O4 S4 -","4","1","","Tom Verhelst; Jens Maes; Zuming Liu; Sergey Sergeyev; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Selective Bromine-Magnesium Exchange and Lactam Directed Ortho C-H Magnesiation","Journal of Organic Chemistry","2011","76","","6670","6677","10.1021/jo201009m","","","0.71073","MoKα","","0.0411","0.0352","","","0.0836","0.0897","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026521","21.995","0.004","5.7088","0.0009","35.394","0.005","90","","102.439","0.009","90","","4339.9","1.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H26 F N O4 -","- C27 H26 F N O4 -","- C216 H208 F8 N8 O32 -","8","2","","Michał Michalak; Maciej Stodulski; Sebastian Stecko; Adam Mames; Irma Panfil; Magdalena Soluch; Bartłomiej Furman; Marek Chmielewski","A Formal Synthesis of Ezetimibe via Cycloaddition/Rearrangement Cascade Reaction","Journal of Organic Chemistry","2011","76","","6931","6936","10.1021/jo2010846","","","0.71073","MoKα","","0.0473","0.0399","","","0.0864","0.0897","","","","","","1.05","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026522","9.7919","0.0002","7.53219","0.00015","16.9507","0.0004","90","","100.148","0.002","90","","1230.63","0.05","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H45 Cl -","- C27 H45 Cl -","- C54 H90 Cl2 -","2","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","1.54184","CuKα","","0.0708","0.0667","","","0.179","0.185","","","","","","1.07","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026523","20.8394","0.0011","9.278","0.0005","24.4594","0.0014","90","","90","","90","","4729.2","0.4","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H58 Cl3 N O3 P2 -","- C48 H58 Cl3 N O3 P2 -","- C192 H232 Cl12 N4 O12 P8 -","4","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","0.71073","MoKα","","0.0497","0.043","","","0.0925","0.0949","","","","","","1.01","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026524","6.6621","0.0006","6.6337","0.0006","16.6396","0.0014","90","","98.936","0.005","90","","726.45","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Xiaotao Zhuo; Kai Xiang; Fu-Min Zhang; Yong-Qiang Tu","Total Synthesis of (+)-Przewalskin B","Journal of Organic Chemistry","2011","76","","6918","6924","10.1021/jo201111w","","","0.71073","MoKα","","0.0657","0.0477","","","0.1179","0.1316","","","","","","1.035","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026525","13.2045","0.0018","19.022","0.003","18.615","0.003","90","","98.097","0.002","90","","4629","1.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H24 O10 -","- C70 H24 O10 -","- C280 H96 O40 -","4","1","","Gang Zhang; Qianyan Zhang; Zhenshan Jia; Sisi Liang; Liangbing Gan; Yuliang Li","Preparation of a 12-Membered Open-Cage Fullerendione through Silane/Borane-Promoted Formation of Ketal Moieties and Oxidation of a Vicinal Fullerendiol","Journal of Organic Chemistry","2011","76","","6743","6748","10.1021/jo201143k","","","0.71073","MoKα","","0.0793","0.0688","","","0.1618","0.1682","","","","","","1.127","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026526","12.3277","0.0005","8.9364","0.0004","13.1357","0.0006","90","","104.071","0.001","90","","1403.68","0.11","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl4 N4 O18 -","- C16 H30 Cl4 N4 O18 -","- C32 H60 Cl8 N8 O36 -","2","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.0336","0.0305","","","0.0849","0.0868","","","","","","1.079","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026527","5.8449","0.0013","13.893","0.003","11.655","0.003","90","","94.21","0.004","90","","943.9","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O8 -","- C18 H18 Cl2 N2 O8 -","- C36 H36 Cl4 N4 O16 -","2","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.0787","0.0575","","","0.1813","0.2269","","","","","","1.097","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026528","8.7194","0.0007","11.738","0.001","17.3124","0.0015","79.194","0.004","80.249","0.003","77.874","0.003","1686","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H84 Cl4 N4 O33 -","- C52 H78 Cl4.002 N4 O33.006 -","- C52 H78 Cl4.002 N4 O33.006 -","1","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.1837","0.1138","","","0.2706","0.307","","","","","","1.026","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026529","20.79","0.003","27.46","0.004","21.875","0.003","90","","90.096","0.004","90","","12488","3","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H75.63 Cl4 N4.25 O28.44 -","- C50.5 H74.75 Cl4 N4.25 O28.44 -","- C404 H598 Cl32 N34 O227.52 -","8","2","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.1464","0.0715","","","0.1694","0.1944","","","","","","0.875","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026530","15.8125","0.0006","8.2142","0.0002","24.8634","0.0008","90","","90","","90","","3229.43","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C144 H112 N32 O40 -","8","1","","Anna M. Said; G. Paul Savage","Atropisomerism-Induced Facial Selectivity in Nitrile Oxide Cycloadditions with 5-Methylenehydantoins","Journal of Organic Chemistry","2011","76","","6946","6950","10.1021/jo2011818","","","0.71073","MoKα","","0.0512","0.0411","","","0.1012","0.1079","","","","","","1.031","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026531","10.5942","0.001","19.501","0.0018","11.6473","0.001","90","","111.836","0.002","90","","2233.7","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N7 O2 -","- C25 H19 N7 O2 -","- C100 H76 N28 O8 -","4","0.5","","Dolores Santa María; M. Ángeles Farrán; M. Ángeles García; Elena Pinilla; M. Rosario Torres; José Elguero; Rosa M. Claramunt","Synthetic Hosts for Molecular Recognition of Ureas","Journal of Organic Chemistry","2011","76","","6780","6788","10.1021/jo201191x","","","0.71073","MoKα","","0.1018","0.0409","","","0.1049","0.1301","","","","","","0.985","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026532","37.0092","0.0016","13.0987","0.0004","14.0975","0.0005","90","","95.401","0.003","90","","6803.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H68 N14 O7 S2 -","- C76 H68 N14 O7 S2 -","- C304 H272 N56 O28 S8 -","4","0.5","","Dolores Santa María; M. Ángeles Farrán; M. Ángeles García; Elena Pinilla; M. Rosario Torres; José Elguero; Rosa M. Claramunt","Synthetic Hosts for Molecular Recognition of Ureas","Journal of Organic Chemistry","2011","76","","6780","6788","10.1021/jo201191x","","","0.71073","MoKα","","0.082","0.0535","","","0.1576","0.1688","","","","","","1.093","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026533","5.9088","0.0001","8.2275","0.0001","8.8385","0.0002","94.299","0.001","102.726","0.001","93.867","0.001","416.386","0.013","293","2","293","2","","","","","","","","4","P 1","P 1","1","phenyl phenylselenyl isochromen","3-phenyl-4-(phenylselenyl)-1H-isochromen-1-one","","- C21 H14 O2 Se -","- C21 H14 O2 Se -","- C21 H14 O2 Se -","1","1","","Adriane Sperança; Benhur Godoi; Simone Pinton; Davi F. Back; Paulo H. Menezes; Gilson Zeni","Regioselective Synthesis of Isochromenones by Iron(III)/PhSeSePh-Mediated Cyclization of 2-Alkynylaryl Esters","Journal of Organic Chemistry","2011","76","","6789","6797","10.1021/jo201211s","","","0.71073","MoKα","","0.0387","0.0349","","","0.083","0.085","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026534","7.4468","0.0005","11.144","0.0007","27.7567","0.0017","90","","90","","90","","2303.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 -","- C27 H40 O3 -","- C108 H160 O12 -","4","1","","Xi-Bo Chen; Qian-Jia Yuan; Jing Wang; Si-Kai Hua; Jiangmeng Ren; Bu-Bing Zeng","Synthesis of the Scalarane Sesterterpenoid 16-deacetoxy-12-epi-scalarafuranacetate","Journal of Organic Chemistry","2011","76","","7216","7221","10.1021/jo2008127","","","0.71073","MoKα","","0.0433","0.039","","","0.1145","0.1188","","","","","","1.065","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026535","9.0198","0.0004","11.6551","0.0006","11.6797","0.0005","97.658","0.003","110.694","0.003","106.89","0.003","1060.22","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 Cl O6 -","- C22 H21 Cl O6 -","- C44 H42 Cl2 O12 -","2","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0735","","","0.2184","0.2603","","","","","","1.056","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026536","15.7744","0.0006","10.0072","0.0004","14.5277","0.0005","90","","111.652","0.002","90","","2131.5","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br Cl O6 -","- C22 H20 Br Cl O6 -","- C88 H80 Br4 Cl4 O24 -","4","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0483","","","0.1232","0.1413","","","","","","1.036","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026537","7.9833","0.0005","11.209","0.0007","11.4737","0.0012","116.08","0.006","91.797","0.006","109.652","0.004","848.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0533","","","0.1429","0.1664","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026538","20.08","","5.978","","12.389","","90","","104.4","","90","","1440.43","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 N2 O4 S -","- C11 H20 N2 O4 S -","- C44 H80 N8 O16 S4 -","4","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0916","0.0692","","","0.1839","0.1984","","","","","","1.061","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026539","27.7068","0.0011","5.8066","0.0002","21.0351","0.0008","90","","103.144","0.004","90","","3295.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C128 H168 N8 O32 S8 -","8","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0498","0.0387","","","0.1042","0.1109","","","","","","1.047","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026540","7.9436","0.001","10.6539","0.0016","13.268","0.002","107.76","0.011","107.42","","90","","1015.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O5 S2 -","- C20 H23 N O5 S2 -","- C40 H46 N2 O10 S4 -","2","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0452","0.0357","","","0.0908","0.0969","","","","","","0.997","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026541","6.6298","0.0002","7.9932","0.0002","26.5748","0.0008","90","","92.578","0.003","90","","1406.86","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0458","0.0346","","","0.0943","0.1005","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026542","10.643","0.002","5.8696","0.0012","15.844","0.003","90","","102.025","0.006","90","","968.1","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Sumit Saha; Subhas Chandra Roy","Titanocene(III) Chloride Mediated Radical Induced Allylation of Aldimines: Formal Synthesis of C-Linked 4'-Deoxy Aza-disaccharide","Journal of Organic Chemistry","2011","76","","7229","7234","10.1021/jo200908b","","","0.71073","MoKα","","0.0643","0.0419","","","0.0903","0.103","","","","","","0.958","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026543","30.7167","0.0004","11.4762","0.0002","19.3445","0.0003","90","","125.362","0.0008","90","","5561.1","0.16","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-2-isopropoxy-4-((1-(2-isopropoxy-4-nitrophenyl)-5-methyl-1-oxohex-2-en-3-yl) amino)benzamide","","- C28 H36 N4 O6 -","- C28 H36 N4 O6 -","- C224 H288 N32 O48 -","8","1","","Marc J. Adler; Andrew D. Hamilton","Oligophenylenaminones as Scaffolds for α-Helix Mimicry","Journal of Organic Chemistry","2011","76","","7040","7047","10.1021/jo200917d","","","0.71073","MoKα","","0.0796","0.0569","","0.071","0.0557","0.053","","","","","","1.0844","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026544","7.8063","0.0005","12.4919","0.0009","14.4086","0.001","68.686","0.001","79.523","0.001","74.993","0.001","1258.29","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","08003","","","- C26 H46 O4 Si -","- C26 H46 O4 Si -","- C52 H92 O8 Si2 -","2","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0716","0.045","","","0.1003","0.1147","","","","","","1.006","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026545","9.4004","0.0007","10.2614","0.0008","13.271","0.001","101.813","0.001","93.644","0.001","94.256","0.001","1245.5","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","04320","","","- C25 H44 O4 Si -","- C25 H44 O4 Si -","- C50 H88 O8 Si2 -","2","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0503","0.0401","","","0.1031","0.113","","","","","","1.021","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026546","13.826","0.001","10.4515","0.0009","11.916","0.001","90","","106.751","0.002","90","","1648.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04119","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0744","0.0425","","","0.091","0.101","","","","","","1.02","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026547","17.6991","0.0011","17.7612","0.0011","18.108","0.0011","74.61","0.001","77.744","0.001","73.738","0.001","5209.8","0.6","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C107 H150 O17 -","- C107 H150 O17 -","- C214 H300 O34 -","2","1","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.0977","0.0753","","","0.2194","0.2342","","","","","","1.085","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026548","23.8379","0.0015","22.2455","0.0014","31.724","0.002","90","","90.392","0.001","90","","16822.4","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H202.5 Cl9 N2.5 O8 -","- C168 H202.5 Cl9 N2.5 O8 -","- C672 H810 Cl36 N10 O32 -","4","1","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.2365","0.141","","","0.3818","0.4208","","","","","","1.289","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026549","33.177","0.008","25.438","0.006","23.549","0.005","90","","91.265","0.004","90","","19869","8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C208 H258 O8 -","- C208 H258 O8 -","- C832 H1032 O32 -","4","0.5","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.271","0.1273","","","0.3232","0.4101","","","","","","1.063","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026550","7.6095","0.0004","9.119","0.0005","24.1791","0.0012","90","","90","","90","","1677.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N Si -","- C17 H22 Br N Si -","- C68 H88 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0195","0.0185","","","0.0477","0.0481","","","","","","1.073","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026551","8.2568","0.0003","12.9481","0.0005","18.6506","0.0007","90","","90","","90","","1993.93","0.13","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br N Si -","- C20 H28 Br N Si -","- C80 H112 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0254","0.0213","","","0.0512","0.053","","","","","","1.052","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026552","8.7606","0.0003","14.0441","0.0005","19.0306","0.0008","90","","102.267","0.001","90","","2287.97","0.15","90","2","90","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C40 H58 Br4 N2 O3 Si2 Zn -","- C40 H58 Br4 N2 O3 Si2 Zn -","- C80 H116 Br8 N4 O6 Si4 Zn2 -","2","0.5","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0248","0.0245","","","0.0633","0.0635","","","","","","1.029","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026553","8.445","0.0004","7.4439","0.0004","16.4853","0.0008","90","","102.33","0.001","90","","1012.42","0.09","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N Si -","- C22 H24 Br N Si -","- C44 H48 Br2 N2 Si2 -","2","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0319","0.0271","","","0.0647","0.0674","","","","","","1.033","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026554","18.534","0.004","8.8696","0.0017","13.761","0.003","90","","97.078","0.008","90","","2244.9","0.8","100","","100","","","","","","","","methanol/dichloromethane,","5","C 1 2 1","C 2y","5","","ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl- amido-(R)-1-ethyl-methylsulfonate","","- C21 H21 N7 O5 S -","- C21 H21 N7 O5 S -","- C84 H84 N28 O20 S4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.1295","0.0408","","","0.0883","0.0922","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026555","17.235","0.002","17.235","0.002","12.72","0.003","90","","90","","90","","3778.4","1.1","100","","100","","","","","","","","methanol/dichloromethane","6","P 43","P 4cw","78","","trimethylsilyl-ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)- 2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl-amido-(S)- 1-ethyl-methyl-sulfonate","","- C34 H38 N12 O6 S Si -","- C34 H38 N12 O6 S Si -","- C136 H152 N48 O24 S4 Si4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0388","0.0328","","","0.0781","0.0823","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026556","12.4653","0.0005","17.197","0.0007","17.6158","0.0008","90","","90","","90","","3776.2","0.3","100","","100","","","","","","","","water/acetone(1:1)","4","P 21 21 21","P 2ac 2ab","19","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone dihydrate solute","","- C33 H37 N15 O6 -","- C33 H37 N15 O6 -","- C132 H148 N60 O24 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.0617","0.0558","","","0.1413","0.1456","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026557","14.2352","0.0009","14.2352","0.0009","15.1711","0.0009","90","","90","","120","","2662.4","0.3","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C33 H39 N9 O9 -","- C33 H39 N9 O9 -","- C99 H117 N27 O27 -","3","0.333333","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","","","","","","","","","","","","","","","","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026558","9.9601","0.0009","9.3717","0.0009","19.2123","0.0018","90","","101.469","0.002","90","","1757.5","0.3","100","","100","","","","","","","","acetone,hexane","4","P 1 21 1","P 2yb","4","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone hydrate solute","","- C33 H35 N15 O5 -","- C33 H35 N15 O5 -","- C66 H70 N30 O10 -","2","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0393","0.0371","","","0.1027","0.106","","","","","","0.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026559","13.7926","0.0005","8.9256","0.0003","14.0637","0.0004","90","","119.333","0.002","90","","1509.36","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O7 -","- C14 H17 N O7 -","- C56 H68 N4 O28 -","4","2","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71073","MoKα","","0.0889","0.0484","","","0.0994","0.116","","","","","","1.043","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026560","7.2444","0.0002","8.4332","0.0003","27.215","0.0009","90","0.005","90","0.005","90","0.005","1662.66","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O9 -","- C15 H19 N O9 -","- C60 H76 N4 O36 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0593","0.0422","","","0.0848","0.0919","","","","","","1.041","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026561","7.2387","0.0003","8.1145","0.0004","23.705","0.001","90","","90","","90","","1392.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","c450-2","","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0564","0.0442","","","0.1006","0.107","","","","","","1.042","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026562","7.4737","0.0014","12.984","0.002","23.026","0.004","90","","90","","90","","2234.4","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0676","0.0532","","","0.1019","0.1087","","","","","","1.001","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026563","8.9925","0.0016","9.4538","0.0017","11.71","0.002","109.472","0.004","105.396","0.004","90.581","0.004","899.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl N4 O4 -","- C20 H17 Cl N4 O4 -","- C40 H34 Cl2 N8 O8 -","2","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0771","0.0529","","","0.1007","0.1092","","","","","","1.008","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026564","8.3498","0.0011","10.0042","0.0013","17.756","0.002","98.894","0.003","102.414","0.003","101.285","0.003","1390.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C60 H76 N12 O4 -","4","2","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.1132","0.0587","","","0.1078","0.121","","","","","","1.009","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026565","11.654","0.0016","5.9858","0.0012","19.445","0.002","90","","90.756","0.014","90","","1356.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H52 O7 -","- C27 H52 O7 -","- C54 H104 O14 -","2","1","","Victoria L. Challinor; Patricia Y. Hayes; Paul V. Bernhardt; William Kitching; Reginald P. Lehmann; James J. De Voss","Revision of the Absolute Configurations of Bethosides B and C and Their Aglycone","Journal of Organic Chemistry","2011","76","","7275","7280","10.1021/jo2012797","","","1.5418","CuKα","","0.0882","0.077","","","0.2006","0.2111","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026566","14.5918","0.0002","14.5918","0.0002","21.0203","0.0006","90","","90","","90","","4475.66","0.15","150","2","150","2","","","","","","","","6","P 42/n","-P 4bc","","","","","- C23 H22 B F2 N3 O2 -","- C23 H22 B F2 N3 O2 -","- C184 H176 B8 F16 N24 O16 -","8","","","M. Rajeswara Rao; Manu D. Tiwari; Jayesh R. Bellare; M. Ravikanth","Synthesis of BF2 Complexes of Prodigiosin Type Oligopyrroles","Journal of Organic Chemistry","2011","76","","7263","7268","10.1021/jo201183s","","","0.71073","MoKα","","0.0865","0.0586","","","0.1858","0.197","","","","","","1.032","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026567","11.534","0.005","14.383","0.005","15.388","0.005","103.451","0.005","104.397","0.005","90.407","0.005","2399.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 Cl0 Cu0 N4 O13 S2 -","- C45 H34 N4 O12 S2 -","- C90 H68 N8 O24 S4 -","2","1","","Saumen Hajra; Debarshi Sinha","Catalytic Enantioselective Aziridoarylation of Aryl Cinnamyl Ethers toward Synthesis of trans-3-Amino-4-arylchromans","Journal of Organic Chemistry","2011","76","","7334","7340","10.1021/jo200711s","","","0.71073","MoKα","","0.1331","0.0897","","","0.258","0.3039","","","","","","1.089","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026568","5.5102","0.0012","21.666","0.005","13.819","0.003","90","","93.434","0.003","90","","1646.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 O3 S -","- C17 H13 F3 O3 S -","- C68 H52 F12 O12 S4 -","4","1","","Hao Lin; Qilong Shen; Long Lu","β-(Trifluoromethyl)vinyl Sulfonium Salts: Preparation and Reactions with Active Methylene and Methenyl Compounds","Journal of Organic Chemistry","2011","76","","7359","7369","10.1021/jo2009033","","","0.71073","MoKα","","0.0416","0.0376","","","0.1153","0.121","","","","","","0.997","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026569","9.6406","0.0011","12.0965","0.0014","12.8257","0.0015","69.462","0.002","74.343","0.002","66.94","0.002","1273.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F3 N2 O8 -","- C27 H21 F3 N2 O8 -","- C54 H42 F6 N4 O16 -","2","1","","Hao Lin; Qilong Shen; Long Lu","β-(Trifluoromethyl)vinyl Sulfonium Salts: Preparation and Reactions with Active Methylene and Methenyl Compounds","Journal of Organic Chemistry","2011","76","","7359","7369","10.1021/jo2009033","","","0.71073","MoKα","","0.0749","0.0592","","","0.1614","0.1758","","","","","","1.037","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026570","13.188","0.0015","8.071","0.0007","16.17","0.002","90","","95.472","0.01","90","","1713.3","0.3","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini","Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes","Journal of Organic Chemistry","2011","76","","7415","7422","10.1021/jo2010878","","x-ray","0.71069","MoKα","","0.1106","0.0516","","","0.1487","0.1718","","","","","","0.867","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026571","7.847","0.001","14.306","0.001","19.458","0.002","90","0.005","90","0.005","90","0.005","2184.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 S -","- C20 H26 N2 O4 S -","- C80 H104 N8 O16 S4 -","4","1","","Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini","Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes","Journal of Organic Chemistry","2011","76","","7415","7422","10.1021/jo2010878","","x-ray","0.71069","MoKα","","0.1233","0.045","","","0.104","0.1215","","","","","","0.813","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026572","8.112","0.011","12.822","0.019","16.77","0.02","90","","90","","90","","1744","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","","Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo","Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones","Journal of Organic Chemistry","2011","76","","7551","7555","10.1021/jo201123p","","","0.71073","MoKα","","0.1578","0.0544","","","0.0499","0.0642","","","","","","0.967","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026573","8.663","0.011","9.218","0.011","12.471","0.015","82.408","0.012","80.41","0.013","77.913","0.014","955","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O3 -","- C19 H16 Br N O3 -","- C38 H32 Br2 N2 O6 -","2","1","","Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo","Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones","Journal of Organic Chemistry","2011","76","","7551","7555","10.1021/jo201123p","","","0.71073","MoKα","","0.1165","0.0538","","","0.1157","0.1368","","","","","","1.027","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026574","8.85","0.002","8.977","0.002","14.964","0.004","92.095","0.005","95.857","0.005","93.976","0.005","1178.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Pentamethylphenylchromene 5Ch","Pentamethylphenylchromene 5Ch","","- C32 H30 O -","- C32 H30 O -","- C64 H60 O2 -","2","1","","Susovan Mandal; Keshaba Nanda Parida; Subhas Samanta; Jarugu Narasimha Moorthy","Influence of (2,3,4,5,6-Pentamethyl/phenyl)phenyl Scaffold: Stereoelectronic Control of the Persistence of o-Quinonoid Reactive Intermediates of Photochromic Chromenes","Journal of Organic Chemistry","2011","76","","7406","7414","10.1021/jo201144t","","","0.71073","MoKα","","0.1323","0.0875","","","0.2187","0.2739","","","","","","1.442","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026575","5.2154","0.0003","11.7483","0.0006","21.7737","0.0015","90","","90","","90","","1334.12","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-(benzyloxy)-4-methyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C48 H68 N4 O16 S4 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0954","0.0664","","","0.1615","0.2044","","","","","","1.203","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026576","8.481","0.0004","11.2846","0.0005","15.6157","0.0011","90","","90","","90","","1494.5","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-fluoro-4-methyl-3-tosyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H16 F N O5 S2 -","- C12 H16 F N O5 S2 -","- C48 H64 F4 N4 O20 S8 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0413","0.0353","","","0.0897","0.1081","","","","","","1.095","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026577","9.7329","0.0001","21.7097","0.0003","9.7718","0.0001","90","","94.5024","0.0011","90","","2058.39","0.04","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C44 H40 Cl3 F6 N2 P -","- C44 H40 Cl3 F6 N2 P -","- C88 H80 Cl6 F12 N4 P2 -","2","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","x-ray","1.54184","CuKα","","0.0507","0.0433","","","0.1054","0.1101","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026578","8.4419","0.0005","13.7473","0.0008","24.4406","0.0014","90","","90","","90","","2836.4","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Cl N2 Si2 -","- C25 H37 Cl N2 Si2 -","- C100 H148 Cl4 N8 Si8 -","4","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","","","0.0441","0.0354","","","0.0961","0.1101","","","","","","1.15","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026579","34.92","0.005","9.8441","0.0015","16.837","0.002","90","","116.653","0.002","90","","5172.8","1.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","Dan Eddings Ag-1","Silver(I) chloride complex with chiral (all R) pyrazol","","- C31 H28 Ag Cl N2 -","- C31 H28 Ag Cl N2 -","- C248 H224 Ag8 Cl8 N16 -","8","2","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0634","0.0409","","","0.0753","0.0857","","","","","","0.998","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026580","15.7516","0.0011","11.2673","0.0008","14.1985","0.001","90","","115.097","0.001","90","","2282","0.3","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Chiral Cu(I)-Cl-pyrazolyl-complex","","- C53 H58 Cl Cu N2 O -","- C53 H58 Cl Cu N2 O -","- C106 H116 Cl2 Cu2 N4 O2 -","2","0.5","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0579","0.0438","","","0.1031","0.1118","","","","","","1.03","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026581","27.263","0.008","19.99","0.007","16.688","0.007","90","","103.53","0.02","90","","8842","6","164","2","164","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C134 H126 N6 Zn -","- C64 H46 N6 Zn -","- C256 H184 N24 Zn4 -","4","1","","Soumen K. Samanta; Debabrata Samanta; Jan W. Bats; Michael Schmittel","DABCO as a Dynamic Hinge between Cofacial Porphyrin Panels and Its Tumbling inside a Supramolecular Cavity","Journal of Organic Chemistry","2011","76","","7466","7473","10.1021/jo201252q","","","0.71073","MoKα","","0.1918","0.0843","","","0.1712","0.1956","","","","","","0.899","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026582","8.41","0.0017","10.721","0.002","15.596","0.003","90","","90","","90","","1406.2","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C64 H64 N16 O4 -","4","1","","Na Shao; Guang-Xian Pang; Cai-Xia Yan; Gao-Feng Shi; Ying Cheng","Reaction of β-Lactam Carbenes with 2-Pyridyl Isonitriles: A One-Pot Synthesis of 2-Carbonyl-3-(pyridylamino)imidazo[1,2-a]pyridines Useful as Fluorescent Probes for Mercury Ion","Journal of Organic Chemistry","2011","76","","7458","7465","10.1021/jo201273p","","","0.71073","MoKα","","0.042","0.0403","","","0.0956","0.097","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026583","5.9038","0.0006","7.6357","0.0009","11.8298","0.0014","78.482","0.007","82.754","0.007","88.56","0.007","518.37","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Spiro[[1,3]dioxolane-2,7'-tricyclo[6.3.0.0^2,6^]undeca- 1(8),2(6)-diene]","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0598","0.0404","","","0.095","0.1053","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026584","7.532","0.0004","15.8313","0.0008","18.9055","0.001","90","","90","","90","","2254.3","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","12,12-Dibromotetracyclo[6.3.1.0^1,8^.0^2,6^]dodec-2(6)-en-7-one","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C96 H96 Br16 O8 -","8","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0427","0.0226","","","0.0475","0.0551","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026585","8.1835","0.0003","9.9975","0.0004","14.7884","0.0006","90","","102.036","0.002","90","","1183.31","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","12,12-Dibromo-7-methylenetetracyclo[6.3.1.0^1,8^.0^2,6^]dodec- 2(6)-ene","","- C13 H14 Br2 -","- C13 H14 Br2 -","- C52 H56 Br8 -","4","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0544","0.0302","","","0.056","0.0625","","","","","","1.004","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026586","11.985","0.001","9.94","0.001","21.337","0.002","90","","97.1","0.01","90","","2522.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-bis(4-methoxyphenyl)-2-(o-tolyl)-5-(p-tolyl)-thiophen","","- C32 H28 O2 S -","- C32 H28 O2 S -","- C128 H112 O8 S4 -","4","1","","Alireza Rahimi; Jan C. Namyslo; Martin H. H. Drafz; Julian Halm; Eike Hübner; Martin Nieger; Nicola Rautzenberg; Andreas Schmidt","Selective Mono- to Perarylations of Tetrabromothiophene by a Cyclobutene-1,2-diylbisimidazolium Preligand","Journal of Organic Chemistry","2011","76","","7316","7325","10.1021/jo201317t","","","0.71073","MoKα","","0.0686","0.0468","","","0.0991","0.1086","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026587","14.5401","0.0015","15.8885","0.0015","18.4527","0.0015","86.76","0.005","79.926","0.005","64.92","0.005","3800.8","0.6","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C31 H60 O7 Si2 -","- C31 H60 O7 Si2 -","- C124 H240 O28 Si8 -","4","4","","Venkata Velvadapu; Tapas Paul; Bharat Wagh; Ian Glassford; Charles DeBrosse; Rodrigo B. Andrade","Total Synthesis of (-)-4,8,10-Tridesmethyl Telithromycin","Journal of Organic Chemistry","2011","76","","7516","7527","10.1021/jo201319b","","","0.71073","MoKα","","0.0944","0.077","","","0.1958","0.2169","","","","","","1.117","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026588","16.607","0.003","5.175","0.001","21.855","0.004","90","","90.73","0.03","90","","1878.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Michał Michalak; Karol Michalak; Zofia Urbanczyk-Lipkowska; Jerzy Wicha","Synthetic Studies on Dicyclopenta[a,d]cyclooctane Terpenoids: Construction of the Core Structure of Fusicoccins and Ophiobolins on the Route Involving a Wagner-Meerwein Rearrangement","Journal of Organic Chemistry","2011","76","","7497","7509","10.1021/jo201357p","","","1.54178","CuKα","","0.2426","0.0656","","","0.1422","0.1883","","","","","","1.024","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026589","27.836","0.004","8.721","0.0006","10.6844","0.0011","90","","90.219","0.01","90","","2593.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N2 O7 -","- C27 H36 N2 O7 -","- C108 H144 N8 O28 -","4","1","","Michał Michalak; Karol Michalak; Zofia Urbanczyk-Lipkowska; Jerzy Wicha","Synthetic Studies on Dicyclopenta[a,d]cyclooctane Terpenoids: Construction of the Core Structure of Fusicoccins and Ophiobolins on the Route Involving a Wagner-Meerwein Rearrangement","Journal of Organic Chemistry","2011","76","","7497","7509","10.1021/jo201357p","","","0.71073","MoKα","","0.0544","0.0336","","","0.0652","0.0693","","","","","","0.881","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026590","14.206","0.018","8.077","0.01","29.35","0.04","90","","104.131","0.012","90","","3266","7","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C39 H12 F15 N5 -","- C39 H12 F15 N5 -","- C156 H48 F60 N20 -","4","1","","Motoki Toganoh; Yasunori Kawabe; Hiroyuki Furuta","C-Fused Norrole: A Fused Corrole Isomer Bearing a N,C-Linked Bipyrrole Unit","Journal of Organic Chemistry","2011","76","","7618","7622","10.1021/jo2014017","","","0.71069","MoKa","","0.1777","0.1182","","","0.3171","0.3758","","","","","","1.049","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026591","28.261","0.004","7.783","0.001","13.361","0.002","90","","102.794","0.005","90","","2865.9","0.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C120 H136 N8 O40 -","8","1","","Silong Xu; Rongshun Chen; Zhengjie He","PBu3-Mediated Vinylogous Wittig Reaction of α-Methyl Allenoates with Aldehydes and Mechanistic Investigations","Journal of Organic Chemistry","2011","76","","7528","7538","10.1021/jo201466k","","","0.71075","MoKα","","0.0479","0.0387","","","0.1049","0.1095","","","","","","0.995","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026592","10.0199","0.0004","7.6276","0.0003","12.0388","0.0005","90","","102.113","0.002","90","","899.61","0.06","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O -","- C24 H22 O -","- C48 H44 O2 -","2","1","","Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu","Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.","Journal of Organic Chemistry","2011","76","","7631","7631","10.1021/jo9017556","","","0.71073","MoKα","","0.0612","0.0497","","","0.1222","0.1394","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026593","11.8911","0.0003","9.3355","0.0003","19.5017","0.0007","90","","104.559","0.001","90","","2095.36","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu","Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.","Journal of Organic Chemistry","2011","76","","7631","7631","10.1021/jo9017556","","","0.71073","MoKα","","0.1426","0.0669","","","0.1564","0.2017","","","","","","1.03","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026594","14.7109","0.0006","7.5521","0.0004","12.9338","0.0006","90","","89.922","0.004","90","","1436.92","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O5 S -","- C15 H12 O5 S -","- C60 H48 O20 S4 -","4","1","","Ganesh Chandra Nandi; Subhasis Samai; Maya Shankar Singh","One-Pot Two-Component [3 + 2] Cycloaddition/Annulation Protocol for the Synthesis of Highly Functionalized Thiophene Derivatives","Journal of Organic Chemistry","2011","76","","8009","8014","10.1021/jo200685e","","","0.71073","MoKα","","0.0799","0.0497","","","0.1017","0.1175","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026595","9.184","0.0012","9.445","0.0013","26.482","0.003","90","","90","","90","","2297.1","0.5","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N O3 P S -","- C23 H21 Br N O3 P S -","- C92 H84 Br4 N4 O12 P4 S4 -","4","1","","Peizhong Xie; Liye Wang; Lihua Yang; Erqing Li; Jianze, Ma; You Huang; Ruyu Chen","Domino Reaction for the Chemo- and Stereoselective Synthesis of trans-2,3-Dihydrobenzofurans from N-Thiophosphinyl Imines and Sulfur Ylides","Journal of Organic Chemistry","2011","76","","7699","7705","10.1021/jo2008737","","","0.71075","MoKα","","0.0354","0.0279","","","0.0523","0.0542","","","","","","0.897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026596","5.9628","0.0005","11.7329","0.0009","13.0844","0.001","101.225","0.001","94.5613","0.0009","103.631","0.001","865.01","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O5 -","- C19 H20 N4 O5 -","- C38 H40 N8 O10 -","2","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.0553","0.0387","","","0.0919","0.1003","","","","","","1.033","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026597","16.0264","0.0007","5.8","0.0003","22.8485","0.0011","90","","90","","90","","2123.84","0.18","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.0346","0.031","","","0.0761","0.0787","","","","","","1.026","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026598","28.416","0.005","11.6122","0.0019","12.493","0.002","90","","113.211","0.003","90","","3788.7","1.1","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 B F4 N O -","- C20 H24 B F4 N O -","- C160 H192 B8 F32 N8 O8 -","8","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.1033","0.0621","","","0.1511","0.1783","","","","","","1.055","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026599","8.5484","0.0007","11.9015","0.001","17.2138","0.0014","98.08","0.001","103.382","0.001","106.809","0.001","1590","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(4S,4aS,10bR)-4-(4-bromophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isochromene","","- C19 H19 Br O -","- C19 H19 Br O -","- C76 H76 Br4 O4 -","4","2","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","","0.71073","MoKα","","0.0882","0.051","","","0.1429","0.1726","","","","","","1.019","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026600","6.4953","0.0005","23.3341","0.0019","14.4367","0.0012","90","","99.956","0.001","90","","2155.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4S,4aR,10bR)-4-isobutyl-3-tosyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f] isoquinoline","","- C24 H31 N O2 S -","- C24 H31 N O2 S -","- C96 H124 N4 O8 S4 -","4","1","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","x-ray","0.71073","MoKα","","0.0432","0.0392","","","0.1078","0.112","","","","","","1.023","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026601","12.988","0.002","9.8609","0.0015","13.352","0.002","90","","116.27","0.002","90","","1533.4","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4S,4aS,10bR)-4-(2-fluorophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo [f]isothiochromene","","- C19 H19 F S -","- C19 H19 F S -","- C76 H76 F4 S4 -","4","1","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","","0.71073","MoKα","","0.0471","0.0389","","","0.104","0.1106","","","","","","1.015","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026602","6.7734","0.0004","6.7395","0.0004","11.0228","0.0007","90","","99.636","0.003","90","","496.08","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0279","0.0273","","0.0704","0.0699","0.0704","","","","","","0.9544","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026603","6.763","0.006","6.781","0.004","11.095","0.011","90","","99.41","0.04","90","","502","0.7","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0409","0.0347","","0.0937","0.09","0.0937","","","","","","1.0041","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026604","8.5679","0.0008","9.5677","0.0009","26.71","0.003","91.99","0.005","92.44","0.005","105.731","0.004","2103.2","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br I N O3 S -","- C22 H17 Br I N O3 S -","- C88 H68 Br4 I4 N4 O12 S4 -","4","2","","Prasath Kothandaraman; Srinivasa Reddy Mothe; Sharon Si Min Toh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerizations of 1-(2-(Tosylamino)phenyl)prop-2-yn-1-ols to 1H-Indole-2-carbaldehydes and (E)-2-(Iodomethylene)indolin-3-ols","Journal of Organic Chemistry","2011","76","","7633","7640","10.1021/jo201208e","","","0.71073","MoKα","","0.061","0.038","","","0.0993","0.123","","","","","","1.027","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026605","7.68545","0.00015","16.9437","0.0003","9.7925","0.0002","90","","103.049","0.0012","90","","1242.25","0.04","277.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H10 O -","- C42 H20 O2 -","- C84 H40 O4 -","2","0.5","","Toru Amaya; Maiko Hifumi; Michiaki Okada; Yasutomo Shimizu; Toshiyuki Moriuchi; Kouji Segawa; Yoichi Ando; Toshikazu Hirao","Synthesis of Oxosumanenes through Benzylic Oxidation","Journal of Organic Chemistry","2011","76","","8049","8052","10.1021/jo2012412","","","1.54187","CuKα","","","0.0404","","","","0.1266","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026606","14.723","0.002","9.6367","0.0014","10.5485","0.0016","90","","118.305","0.003","90","","1317.7","0.3","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.1417","0.1405","","","0.344","0.3471","","","","","","1.666","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026607","6.8763","0.0004","8.0599","0.0005","9.6919","0.0005","69.981","0.001","73.382","0.001","68.996","0.001","462.92","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N O3 -","- C8 H10 Cl N O3 -","- C16 H20 Cl2 N2 O6 -","2","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0336","0.033","","","0.0928","0.0939","","","","","","1.145","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026608","5.043","0.0003","8.4238","0.0006","12.5243","0.0009","105.625","0.001","100.485","0.001","95.56","0.001","497.81","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Cl N O6 -","- C8 H8 Cl N O6 -","- C16 H16 Cl2 N2 O12 -","2","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0351","0.0339","","","0.0936","0.0952","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026609","5.0962","0.0003","15.5577","0.001","11.4752","0.0008","90","","95.944","0.001","90","","904.92","0.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 F6 N2 O4 P -","- C16 H15 F6 N2 O4 P -","- C32 H30 F12 N4 O8 P2 -","2","0.5","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0493","0.0464","","","0.1221","0.1246","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026610","10.244","0.003","9.692","0.009","13.701","0.015","90","","97.53","0.08","90","","1349","2","293","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N O7 -","- C25 H39 N O7 -","- C50 H78 N2 O14 -","2","1","","Sylvain Dalençon; Ramzi Aït Youcef; Muriel Pipelier; Vincent Maisonneuve; Didier Dubreuil; François Huet; Stéphanie Legoupy","Asymmetric Synthesis of Cyclohexene Nucleoside Analogues","Journal of Organic Chemistry","2011","76","","8059","8063","10.1021/jo2012708","","","0.71069","MoKα","","0.0444","0.037","","","0.1139","0.1295","","","","","","1.216","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026611","13.5962","0.0002","9.71266","0.00013","14.3697","0.0002","90","","110.34","0.0018","90","","1779.27","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.5 H18 Cl N3 O S -","- C17.5 H18 Cl N3 O S -","- C70 H72 Cl4 N12 O4 S4 -","4","2","","Hong Li; Junling Zhao; Lili Zeng; Wenhui Hu","Organocatalytic Asymmetric Domino Aza-Michael-Mannich Reaction: Synthesis of Tetrahydroimidazopyrimidine Derivatives","Journal of Organic Chemistry","2011","76","","8064","8069","10.1021/jo201301p","","","1.54184","CuKα","","0.058","0.0557","","","0.1662","0.1696","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026612","8.267","0.0006","10.4877","0.0007","14.6808","0.001","90","","102.9","0.001","90","","1240.73","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","AQ-PNA-imine","","","- C28 H26 N2 O8 -","- C28 H26 N2 O8 -","- C56 H52 N4 O16 -","2","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.0385","0.0327","","","0.0702","0.0729","","","","","","1.034","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026613","7.6426","0.0007","22.219","0.002","30.684","0.003","90","","90","","90","","5210.5","0.8","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","AQ-pyrrole-imine","","","- C32 H30 N2 O6 -","- C32 H30 N2 O6 -","- C256 H240 N16 O48 -","8","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.1129","0.0662","","","0.1742","0.2038","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026614","8.1074","0.0007","14.536","0.0012","14.9857","0.0013","102.455","0.001","90.541","0.001","104.692","0.001","1664.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[AQ-PNA-Ca](ClO4)2.CH2Cl2","","","- C29 H28 Ca Cl4 N2 O16 -","- C29 H28 Ca Cl4 N2 O16 -","- C58 H56 Ca2 Cl8 N4 O32 -","2","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.1051","0.074","","","0.1751","0.1948","","","","","","1.055","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026615","9.3014","0.0008","13.5621","0.0012","14.1567","0.0012","95.96","0.001","105.159","0.001","107.333","0.001","1613.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[AQ-PNA-Zn(H2O)6](ClO4)2.MeOH","","","- C58 H70 Cl2 N4 O32 Zn -","- C58 H70 Cl2 N4 O32 Zn -","- C58 H70 Cl2 N4 O32 Zn -","1","0.5","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.0614","0.0478","","","0.1279","0.1365","","","","","","1.05","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026616","6.7216","0.0003","12.7333","0.0006","22.619","0.0009","96.252","0.004","95.176","0.003","98.664","0.004","1891.21","0.15","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","2","","Christopher C. Nawrat; William Lewis; Christopher J. Moody","Synthesis of Amino-1,4-benzoquinones and Their Use in Diels-Alder Approaches to the Aminonaphthoquinone Antibiotics","Journal of Organic Chemistry","2011","76","","7872","7881","10.1021/jo201320g","","","1.5418","CuKα","","0.0652","0.0417","","","0.1025","0.1095","","","","","","1.033","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026617","12.2643","0.001","12.6227","0.001","12.7582","0.0011","63.662","0.001","64.383","0.001","67.539","0.001","1551.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N O8 -","- C34 H44 N O8 -","- C68 H88 N2 O16 -","2","1","","Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Sema L. Ioffe; Yulia A. Khomutova; Yulia V. Nelyubina; Vladimir A. Tartakovsky","Synthesis of PDE IVb Inhibitors. 1. Asymmetric Synthesis and Stereochemical Assignment of (+)- and (-)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one","Journal of Organic Chemistry","2011","76","","7893","7900","10.1021/jo201331h","","","0.71073","MoKα","","0.0701","0.0542","","","0.1655","0.1761","","","","","","1.173","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026618","35.0455","0.0006","12.5496","0.0002","19.7679","0.0003","90","","100.514","0.001","90","","8548.1","0.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H106.5 Cl2 Fe2 O0.25 P2 Pd2 -","- C103 H106.5 Cl2 Fe2 O0.25 P2 Pd2 -","- C412 H426 Cl8 Fe8 O P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.1305","0.071","","","0.1491","0.1712","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026619","13.6434","0.0002","12.8194","0.0002","28.0436","0.0006","90","","94.574","0.001","90","","4889.21","0.15","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 Cl Fe O P Pd -","- C54 H58 Cl Fe O P Pd -","- C216 H232 Cl4 Fe4 O4 P4 Pd4 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0705","0.0523","","","0.1237","0.1346","","","","","","1.072","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026620","19.8783","0.0003","13.281","0.0002","20.8125","0.0003","90","","117.685","0.001","90","","4865.53","0.13","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 Cl3 Fe P Pd -","- C58 H58 Cl3 Fe P Pd -","- C232 H232 Cl12 Fe4 P4 Pd4 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.1187","0.0743","","","0.1859","0.2139","","","","","","1.053","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026621","46.1658","0.0007","9.0679","0.0001","16.6947","0.0003","90","","97.287","0.001","90","","6932.4","0.18","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H63 Br P2 Pd2 -","- C29 H63 Br P2 Pd2 -","- C232 H504 Br8 P16 Pd16 -","8","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.138","0.1222","","","0.323","0.3304","","","","","","1.134","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026622","11.0812","0.0001","21.903","0.0002","18.6529","0.0002","90","","106.809","0.001","90","","4333.84","0.08","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Cl3 N2 P2 Pd2 -","- C39 H70 Cl3 N2 P2 Pd2 -","- C156 H280 Cl12 N8 P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0819","0.0542","","","0.1582","0.177","","","","","","1.025","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026623","11.0675","0.0002","21.9913","0.0005","18.8256","0.0004","90","","106.785","0.001","90","","4386.73","0.16","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Br Cl2 N2 P2 Pd2 -","- C39 H70 Br Cl2 N2 P2 Pd2 -","- C156 H280 Br4 Cl8 N8 P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0769","0.0451","","","0.1363","0.1419","","","","","","1.014","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026624","10.047","0.002","17.143","0.004","11.731","0.003","90","","112.708","0.003","90","","1863.9","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Jake R. Zimmerman; Madhuri Manpadi; Russell Spatney; Aaron Baker","Diastereoselective Tin-Free Tandem Radical Additions to 3-Formylchromones","Journal of Organic Chemistry","2011","76","","8076","8081","10.1021/jo201350w","","x-ray","0.71073","MoKα","","0.0577","0.039","","","0.0888","0.0989","","","","","","1.029","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026625","9.492","0.0002","24.5859","0.0006","7.0468","0.0002","90","","106.572","0.001","90","","1576.2","0.07","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 O5 -","- C22 H12 O5 -","- C88 H48 O20 -","4","1","","Jalindar Padwal; William Lewis; Christopher J. Moody","Synthesis of Balsaminone A, a Naturally Occurring Pentacyclic Dinaphthofuran Quinone","Journal of Organic Chemistry","2011","76","","8082","8087","10.1021/jo201395n","","","0.71073","MoKα","","0.0477","0.0455","","","0.1158","0.1175","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026626","4.47983","0.00016","16.7729","0.0006","29.5976","0.0012","90","","90","","90","","2223.96","0.14","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H19 N O5 -","- C30 H19 N O5 -","- C120 H76 N4 O20 -","4","1","","Jalindar Padwal; William Lewis; Christopher J. Moody","Synthesis of Balsaminone A, a Naturally Occurring Pentacyclic Dinaphthofuran Quinone","Journal of Organic Chemistry","2011","76","","8082","8087","10.1021/jo201395n","","","1.5418","CuKα","","0.0528","0.0472","","","0.127","0.131","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026627","9.7389","0.0002","9.7389","0.0002","20.8131","0.0003","90","","90","","90","","1974.04","0.06","291","2","291","2","","","","","","","","4","P 43","P 4cw","78","","","","- C25 H22 O S -","- C25 H22 O S -","- C100 H88 O4 S4 -","4","1","","Zhen-Tao Weng; Yuan Li; Shi-Kai Tian","Catalytic Asymmetric α-Alkylation of Ketones and Aldehydes with N-Benzylic Sulfonamides through Carbon-Nitrogen Bond Cleavage","Journal of Organic Chemistry","2011","76","","8095","8099","10.1021/jo2014142","","","0.71073","MoKα","","0.0472","0.0367","","","0.071","0.0749","","","","","","1.071","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026628","13.9956","0.00018","12.47921","0.00018","18.4248","0.0002","90","","95.152","0.0012","90","","3204.96","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H13 B F21 N -","- C36 H13 B F21 N -","- C144 H52 B4 F84 N4 -","4","1","","Michael T. Scerba; Christopher M. Leavitt; Matthew E. Diener; Andrew F. DeBlase; Timothy L. Guasco; Maxime A. Siegler; Nathaniel Bair; Mark A. Johnson; Thomas Lectka","NH±F Hydrogen Bonding in a Fluorinated ""Proton Sponge"" Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies","Journal of Organic Chemistry","2011","76","","7975","7984","10.1021/jo2015328","","","0.71073","MoKα","","0.0423","0.0288","","","0.0715","0.0742","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026629","7.0024","0.00017","19.7499","0.0003","10.8637","0.0003","90","","107.618","0.002","90","","1431.94","0.06","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F4 N O3 S -","- C13 H13 F4 N O3 S -","- C52 H52 F16 N4 O12 S4 -","4","1","","Michael T. Scerba; Christopher M. Leavitt; Matthew E. Diener; Andrew F. DeBlase; Timothy L. Guasco; Maxime A. Siegler; Nathaniel Bair; Mark A. Johnson; Thomas Lectka","NH±F Hydrogen Bonding in a Fluorinated ""Proton Sponge"" Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies","Journal of Organic Chemistry","2011","76","","7975","7984","10.1021/jo2015328","","","0.71073","MoKα","","0.0507","0.0367","","","0.0957","0.0993","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026630","11.7228","0.0003","8.8692","0.0002","19.6265","0.0005","90","","92.392","0.002","90","","2038.83","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H7 B Br6 F2 N2 O -","- C16 H7 B Br6 F2 N2 O -","- C64 H28 B4 Br24 F8 N8 O4 -","4","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Synthesis of Sterically Crowded Polyarylated Boron-Dipyrromethenes","Journal of Organic Chemistry","2011","76","","8466","8471","10.1021/jo2010022","","","0.71073","MoKα","","0.0483","0.0379","","","0.0954","0.0968","","","","","","1.082","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026631","11.0139","0.0016","12.3936","0.0018","15.85","0.002","94.355","0.012","105.382","0.013","108.271","0.013","1950.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H37 B F2 N2 O -","- C52 H37 B F2 N2 O -","- C104 H74 B2 F4 N4 O2 -","2","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Synthesis of Sterically Crowded Polyarylated Boron-Dipyrromethenes","Journal of Organic Chemistry","2011","76","","8466","8471","10.1021/jo2010022","","","0.71073","MoKα","","0.1837","0.0483","","","0.0885","0.1099","","","","","","0.658","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026632","10.1147","0.0002","15.1214","0.0002","17.1572","0.0003","90","","90","","90","","2624.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl3 N3 O2 -","- C26 H30 Cl3 N3 O2 -","- C104 H120 Cl12 N12 O8 -","4","1","","Emmanuel Riguet","Enantioselective Organocatalytic Friedel-Crafts Alkylation Reaction of Indoles with 5-Hydroxyfuran-2(5H)-one: Access to Chiral γ-Lactones and γ-Lactams via a Ugi 4-Center 3-Component Reaction","Journal of Organic Chemistry","2011","76","","8143","8150","10.1021/jo201184p","","","1.5418","CuKα","","0.0471","0.0407","","","0.1016","0.1071","","","","","","1.033","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026633","9.7843","0.0004","9.8972","0.0003","15.4313","0.0006","72.086","0.002","79.301","0.002","70.5","0.002","1334.57","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0746","0.037","","","0.0781","0.1009","","","","","","0.802","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026634","13.6037","0.001","11.6379","0.0009","7.3569","0.0004","90","","90","","90","","1164.73","0.14","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0504","0.0312","","","0.0562","0.0582","","","","","","0.856","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026635","6.6242","0.0002","21.6424","0.0006","8.2186","0.0003","90","","104.05","0.001","90","","1143","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0319","0.0227","","","0.0511","0.0523","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026636","7.4166","0.0006","6.8485","0.0007","20.6409","0.0016","90","","100.035","0.005","90","","1032.37","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.097","0.0445","","","0.0945","0.1158","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026637","24.9655","0.001","3.8349","0.0001","26.7584","0.001","90","","115.488","0.005","90","","2312.52","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","0.5","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0605","0.0418","","","0.1083","0.1121","","","","","","0.938","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026638","24.398","0.004","3.8017","0.0006","26.608","0.004","90","","113.302","0.006","90","","2266.7","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C96 H88 N24 O32 -","8","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.1106","0.078","","","0.2111","0.2312","","","","","","1.131","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026639","27.454","0.002","13.7918","0.0012","6.666","0.0006","90","","98.678","0.003","90","","2495.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.236","0.1095","","","0.2136","0.2988","","","","","","1.032","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026640","15.851","0.0003","31.365","0.001","13.622","0.0004","90","","119.405","0.001","90","","5899.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 N6 O8.5 -","- C26 H37 N6 O8.5 -","- C208 H296 N48 O68 -","8","1","","Felipe Reviriego; Pilar Navarro; Vicente J. Arán; Maria Luisa Jimeno; Enrique García-España; Julio Latorre; Maria J. R. Yunta","Hydrogen-Bond-Mediated Self-Assembly of 26-Membered Diaza Tetraester Crowns of 3,5-Disubstituted 1H-Pyrazole. Dimerization Study in the Solid State and in CDCl3 Solution","Journal of Organic Chemistry","2011","76","","8223","8231","10.1021/jo2012835","","","0.71073","MoKα","","0.0972","0.0569","","","0.168","0.2075","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026641","13.107","0.0002","13.107","0.0002","30.351","0.0007","90","","90","","90","","5214.1","0.16","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","pzmet","","","- C22 H29 N7 O8 -","- C22 H29 N7 O8 -","- C176 H232 N56 O64 -","8","0.5","","Felipe Reviriego; Pilar Navarro; Vicente J. Arán; Maria Luisa Jimeno; Enrique García-España; Julio Latorre; Maria J. R. Yunta","Hydrogen-Bond-Mediated Self-Assembly of 26-Membered Diaza Tetraester Crowns of 3,5-Disubstituted 1H-Pyrazole. Dimerization Study in the Solid State and in CDCl3 Solution","Journal of Organic Chemistry","2011","76","","8223","8231","10.1021/jo2012835","","","0.71073","MoKα","","0.0979","0.0584","","","0.1892","0.2266","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026642","3.9864","0.0003","21.6026","0.0015","17.7499","0.0014","90","","93.004","0.005","90","","1526.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette","Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes","Journal of Organic Chemistry","2011","76","","8243","8261","10.1021/jo201303x","","","1.54178","CuKα","","0.0724","0.0586","","","0.1396","0.1519","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026643","15.86","0.003","10.73","0.002","5.8704","0.0012","90","","90","","90","","999","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette","Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes","Journal of Organic Chemistry","2011","76","","8243","8261","10.1021/jo201303x","","","1.54178","CuKα","","0.1578","0.12","","","0.3536","0.3807","","","","","","1.574","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026644","9.5579","0.0019","14.88","0.003","23.185","0.005","90","","90","","90","","3297.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H38 N6 -","- C40 H38 N6 -","- C160 H152 N24 -","4","0.5","","Brian S. Young; Felix Köhler; Rainer Herges; Michael M. Haley","Phenanthrene-Fused Azo-ene-ynes: Synthesis of Dibenzo[f,h]cinnoline and Dibenzo[e,g]isoindazole Derivatives","Journal of Organic Chemistry","2011","76","","8483","8487","10.1021/jo201378t","","","0.71073","MoKα","","0.0607","0.0433","","","0.0992","0.1104","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026645","9.9417","0.0008","18.6076","0.0015","10.4831","0.0008","90","","118.057","0.003","90","","1711.4","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H30 F6 N P2 Pd Sb -","- C35 H30 F6 N P2 Pd Sb -","- C70 H60 F12 N2 P4 Pd2 Sb2 -","2","1","","Raju Ghosh; Amitabha Sarkar","Palladium-Catalyzed Amination of Allyl Alcohols","Journal of Organic Chemistry","2011","76","","8508","8512","10.1021/jo2014438","","","0.71073","MoKα","","0.0314","0.0282","","","0.069","0.071","","","","","","1.017","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026646","8.7688","0.001","9.716","0.0011","12.439","0.0014","90","","110.073","0.002","90","","995.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O7 -","- C20 H27 N O7 -","- C40 H54 N2 O14 -","2","1","","Wenxin Gu; Richard B. Silverman","Stereospecific Total Syntheses of Proteasome Inhibitors Omuralide and Lactacystin","Journal of Organic Chemistry","2011","76","","8287","8293","10.1021/jo201453x","","","0.71073","MoKα","","0.0587","0.0442","","","0.095","0.1024","","","","","","1.074","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026647","8.1023","0.0012","28.568","0.005","7.1293","0.0011","90","","99.235","0.011","90","","1628.8","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-(9H-carbazol-9-yl)phenyl}-5-methyl-1,3,4-oxadiazole","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0617","0.0439","","","0.1007","0.1096","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026648","10.5653","0.0009","15.6361","0.0013","17.4361","0.0015","90","","90","","90","","2880.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4-(9H-carbazol-9-yl)phenyl]-5-(2,4,6-triisopropylphenyl)-1,3,4-oxadiazole","","- C35 H35 N3 O -","- C35 H35 N3 O -","- C140 H140 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0445","0.0392","","","0.0953","0.0986","","","","","","1.048","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026649","11.8018","0.0017","8.7725","0.0013","30.605","0.005","90","","90","","90","","3168.6","0.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-{4-(9H-carbazol-9-yl)phenyl}-5-(2,4,6-tert-butylphenyl)-1,3,4-oxadiazole","","- C38 H41 N3 O -","- C38 H41 N3 O -","- C152 H164 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0681","0.0529","","","0.1119","0.1186","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026650","18.1747","0.0011","9.1474","0.0006","17.9815","0.0013","90","","96.331","0.014","90","","2971.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-(9H-carbazol-9-yl)-3-methylphenyl}-5-(2,4,6-triisopropylphenyl) -1,3,4-oxadiazole","","- C36 H37 N3 O -","- C36 H37 N3 O -","- C144 H148 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0915","0.0415","","","0.0825","0.0966","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026651","5.3312","0.0004","15.3388","0.0008","23.7807","0.0013","90","","92.891","0.003","90","","1942.2","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N2 O7 P -","- C18 H21 N2 O7 P -","- C72 H84 N8 O28 P4 -","4","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0963","0.0847","","","0.1899","0.1963","","","","","","1.119","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026652","5.2641","0.0006","12.0548","0.0013","16.4307","0.0015","74.96","0.004","83.959","0.004","80.275","0.004","990.4","0.18","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0284","0.0259","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026653","14.795","0.003","11.112","0.003","27.233","0.006","90","","105.434","0.003","90","","4315.7","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","0.5","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.0801","0.0504","","","0.1224","0.1356","","","","","","1.045","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026654","12.132","0.003","12.907","0.003","28.247","0.007","90","","97.553","0.003","90","","4384.8","1.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 O2 -","- C58 H52 O2 -","- C232 H208 O8 -","4","0.5","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.1027","0.0672","","","0.1638","0.1898","","","","","","1.034","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026655","12.2535","0.0015","12.9462","0.0016","17.695","0.002","107.875","0.001","102.618","0.001","104.479","0.001","2450.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.9 H44.4 Cl1.4 O5.3 -","- C64.9 H44.4 Cl1.4 O5.3 -","- C129.8 H88.8 Cl2.8 O10.6 -","2","1","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.0709","0.0528","","","0.1274","0.1405","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026656","17.069","0.003","17.705","0.003","18.548","0.005","96.854","0.003","103.899","0.003","117.17","0.002","4667.5","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C103.5 H87 Cl9 O10.5 -","- C103.5 H87 Cl9 O10.5 -","- C207 H174 Cl18 O21 -","2","1","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.1061","0.0828","","","0.2385","0.2577","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026657","6.149","0.006","16.414","0.016","16.807","0.016","90","","98.426","0.011","90","","1678","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Fang Yang; Ke-Gong Ji; Shaukat Ali; Yong-Min Liang","Sc(OTf)3-Catalyzed Synthesis of Indoles and SnCl4-Mediated Regioselective Hydrochlorination of 5-(Arylamino)pent-3-yn-2-ones","Journal of Organic Chemistry","2011","76","","8329","8335","10.1021/jo201514q","","","0.71073","MoKα","","0.0867","0.0492","","","0.1085","0.1263","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026658","9.299","0.006","26.824","0.018","8.234","0.006","90","","97.284","0.007","90","","2037","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 N O -","- C23 H19 Cl2 N O -","- C92 H76 Cl8 N4 O4 -","4","1","","Fang Yang; Ke-Gong Ji; Shaukat Ali; Yong-Min Liang","Sc(OTf)3-Catalyzed Synthesis of Indoles and SnCl4-Mediated Regioselective Hydrochlorination of 5-(Arylamino)pent-3-yn-2-ones","Journal of Organic Chemistry","2011","76","","8329","8335","10.1021/jo201514q","","","0.71073","MoKα","","0.1048","0.0546","","","0.1219","0.1499","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026659","7.0335","0.0005","35.053","0.002","8.2257","0.0006","90","","106.305","0.005","90","","1946.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N O2 S -","- C19 H19 Cl2 N O2 S -","- C76 H76 Cl8 N4 O8 S4 -","4","1","","Zenghui Lu; Wei Kong; Zheliang Yuan; Xueyan Zhao; Gangguo Zhu","Synthesis of Multisubstituted Enamides via Pd-Catalyzed Chloroallylation of Ynamides","Journal of Organic Chemistry","2011","76","","8524","8529","10.1021/jo2015278","","","0.71073","MoKα","","0.1072","0.0497","","","0.1122","0.1288","","","","","","1.036","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026660","10.03","0.006","19.181","0.012","8.34","0.005","90","","90","","90","","1604.5","1.7","295","1","295","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 O -","- C16 H23 N3 O -","- C64 H92 N12 O4 -","4","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0876","0.05","","","0.1299","0.1574","","","","","","1.029","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026661","16.039","0.004","5.6742","0.0014","19.697","0.005","90","","90.295","0.004","90","","1792.6","0.8","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.2349","0.0886","","","0.1531","0.2016","","","","","","1.006","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026662","8.6956","0.0015","5.5642","0.0009","17.425","0.003","90","","92.439","0.004","90","","842.3","0.2","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C34 H34 N6 O6 S2 -","2","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0961","0.0479","","","0.0809","0.0948","","","","","","0.971","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026663","17.5229","0.0003","15.4122","0.0003","21.8343","0.0004","90","","102.511","0.0008","90","","5756.69","0.18","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C124 H158 B2 N4 Na2 O9 -","- C124 H158 B2 N4 Na2 O9 -","- C248 H316 B4 N8 Na4 O18 -","2","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1031","0.0657","","","0.1719","0.1967","","","","","","1.049","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026664","17.5568","0.0004","14.9417","0.0002","21.8429","0.0005","90","","103.182","0.0008","90","","5579","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H148 B2 N6 Na2 O7 -","- C120 H148 B2 N6 Na2 O7 -","- C240 H296 B4 N12 Na4 O14 -","2","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1259","0.0661","","","0.1612","0.1944","","","","","","1.027","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026665","9.843","0.0002","24.0388","0.0005","12.5088","0.0003","90","","99.4843","0.0008","90","","2919.3","0.11","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 B Li N2 O5 -","- C64 H80 B Li N2 O5 -","- C128 H160 B2 Li2 N4 O10 -","2","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1085","0.066","","","0.154","0.1779","","","","","","1.019","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026666","13.9077","0.0002","14.6294","0.0002","14.6476","0.0003","67.2543","0.0005","74.2008","0.0006","72.7007","0.0005","2581.91","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C112 H134 B2 Li2 N6 O8 -","- C112 H134 B2 Li2 N6 O8 -","- C112 H134 B2 Li2 N6 O8 -","1","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1137","0.0669","","","0.1633","0.1869","","","","","","1.031","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026667","10.7435","0.0002","11.5651","0.0002","22.3115","0.0005","90","","90","","90","","2772.2","0.09","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N5 O4 -","- C26 H43 N5 O4 -","- C104 H172 N20 O16 -","4","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.0624","0.0431","","","0.0871","0.0956","","","","","","1.038","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026668","7.1044","0.0003","11.6958","0.0005","13.3132","0.0005","84.733","0.004","83.587","0.004","79.155","0.003","1076.82","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound 10a","quinoxalino[2,3-c]cinnoline-5-N-oxide","","- C14 H8 N4 O -","- C14 H8 N4 O -","- C56 H32 N16 O4 -","4","2","","Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth","Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters","Journal of Organic Chemistry","2011","76","","8421","8427","10.1021/jo201687x","","","0.71073","MoKα","","0.0487","0.043","","","0.1264","0.1305","","","","","","1.043","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026669","28.7457","0.0018","11.6165","0.0008","4.2085","0.0003","90","","90","","90","","1405.32","0.16","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Compound 11","10-(Dimethoxymethyl)quinoxalino[2,3-c]cinnoline","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C68 H56 N16 O8 -","4","1","","Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth","Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters","Journal of Organic Chemistry","2011","76","","8421","8427","10.1021/jo201687x","","","1.54178","CuKα","","0.0478","0.0454","","","0.129","0.1314","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026670","7.2268","0.0003","9.4022","0.0003","22.4907","0.0009","90","","90","","90","","1528.19","0.1","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0444","0.0341","","0.0811","0.0758","0.0811","","","","","","0.9969","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026671","8.4886","0.0002","12.6225","0.0003","19.7837","0.0003","90","","90","","90","","2119.77","0.08","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0412","0.035","","0.0911","0.0868","0.0911","","","","","","0.9907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026672","24.92","0.002","13.8734","0.0017","19.672","0.002","90","","112.722","0.004","90","","6273.3","1.1","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H41 Cl3 N2 O2 -","- C33.5 H41 Cl3 N2 O2 -","- C268 H328 Cl24 N16 O16 -","8","2","","Andrzej Rajca; Kouichi Shiraishi; Przemysław J. Boratyński; Maren Pink; Makoto Miyasaka; Suchada Rajca","Oxidation of Annelated Diarylamines: Analysis of Reaction Pathways to Nitroxide Diradical and Spirocyclic Products","Journal of Organic Chemistry","2011","76","","8447","8457","10.1021/jo2017923","","","0.49595","synchrotron","","0.0765","0.0546","","","0.1353","0.147","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026673","11.1555","0.0004","12.8987","0.0004","15.0353","0.0006","108.133","0.003","98.064","0.003","97.899","0.003","1997.62","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","2","","Irena Škorić; Ilijana Kikaš; Margit Kovács; Lajos Fodor; Željko Marinić; Krešimir Molčanov; Biserka Kojić-Prodić; Ottó Horváth","Synthesis, Photochemistry, and Photophysics of Butadiene Derivatives: Influence of the Methyl Group on the Molecular Structure and Photoinduced Behavior","Journal of Organic Chemistry","2011","76","","8641","8657","10.1021/jo200691x","","x-ray","1.54184","CuKα","","","0.0614","","","","0.2033","","","","","","1.086","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026674","9.6388","0.0009","18.4702","0.0009","13.1278","0.001","90","","110.976","0.01","90","","2182.3","0.3","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 -","- C28 H26 -","- C112 H104 -","4","0.5","","Irena Škorić; Ilijana Kikaš; Margit Kovács; Lajos Fodor; Željko Marinić; Krešimir Molčanov; Biserka Kojić-Prodić; Ottó Horváth","Synthesis, Photochemistry, and Photophysics of Butadiene Derivatives: Influence of the Methyl Group on the Molecular Structure and Photoinduced Behavior","Journal of Organic Chemistry","2011","76","","8641","8657","10.1021/jo200691x","","x-ray","1.54179","CuKα","","","0.0511","","","","0.1564","","","","","","1.084","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026675","7.331","0.005","3.716","0.002","12.129","0.008","90","","98.475","0.01","90","","326.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 O2 -","- C8 H4 N2 O2 -","- C16 H8 N4 O4 -","2","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0718","0.0644","","","0.1627","0.167","","","","","","1.16","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026676","7.458","0.008","4.364","0.005","15.876","0.016","90","","92.02","0.02","90","","516.4","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl2 N2 O2 -","- C10 H6 Cl2 N2 O2 -","- C20 H12 Cl4 N4 O4 -","2","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0805","0.0504","","","0.1241","0.1376","","","","","","1.063","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026677","6.252","0.004","9.238","0.006","11.558","0.009","71.503","0.016","74.739","0.016","82.347","0.017","609.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O2 Si2 -","- C24 H26 N2 O2 Si2 -","- C24 H26 N2 O2 Si2 -","1","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.112","0.0914","","","0.2511","0.2706","","","","","","1.067","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026678","17.767","0.002","4.3191","0.0006","17.551","0.002","90","","117.518","0.002","90","","1194.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Jef14","","","- C10 H4 Cl4 N2 O2 -","- C10 H4 Cl4 N2 O2 -","- C40 H16 Cl16 N8 O8 -","4","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0274","0.025","","","0.0663","0.0684","","","","","","1.069","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026679","10.1084","0.0003","17.3007","0.0005","39.0695","0.0013","90","","90","","90","","6832.6","0.4","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C288 H480 O48 -","24","6","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0574","0.054","","","0.1383","0.1405","","","","","","1.087","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026680","6.6164","0.0002","8.4025","0.0002","23.1972","0.0007","90","","90","","90","","1289.63","0.06","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0287","0.028","","","0.0732","0.074","","","","","","1.06","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026681","15.55","0.0009","10.1305","0.0006","20.3828","0.0013","90","","91.958","0.005","90","","3209","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H30 O2 -","- C17 H30 O2 -","- C136 H240 O16 -","8","4","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0504","0.0441","","","0.1013","0.1045","","","","","","1.044","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026682","6.3839","0.0004","7.5086","0.0002","19.412","0.0005","90","","96.46","0.004","90","","924.59","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O -","- C22 H19 Br N2 O -","- C44 H38 Br2 N4 O2 -","2","1","","Xing Chen; Yongsheng Zheng; Chang Shu; Weicheng Yuan; Bo Liu; Xiaomei Zhang","Enantioselective Synthesis of 4-Substituted 4,5-Dihydro-1H-[1,5]benzodiazepin-2(3H)-ones by the Lewis Base-Catalyzed Hydrosilylation","Journal of Organic Chemistry","2011","76","","9109","9115","10.1021/jo201334n","","","1.54184","CuKα","","0.0375","0.0366","","","0.1014","0.1023","","","","","","1.067","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026683","43.124","0.004","6.6863","0.001","28.0461","0.0003","90","","119.472","0.001","90","","7040.3","1.2","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 N9 O9 -","- C33 H39 N9 O9 -","- C264 H312 N72 O72 -","8","1","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Z/E Isomerism in Nα-Nα-Disubstituted Hydrazides and the Amidoxy Bond: Application to the Conformational Analysis of Pseudopeptides Built of Hydrazinoacids and α-Aminoxyacids","Journal of Organic Chemistry","2011","76","","8756","8767","10.1021/jo201390b","","x-ray","0.71069","MoKα","","0.0887","0.0702","","","0.1798","0.1905","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026684","7.9242","0.0002","15.6107","0.0003","10.0393","0.0002","90","","105.906","0.001","90","","1194.34","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Z/E Isomerism in Nα-Nα-Disubstituted Hydrazides and the Amidoxy Bond: Application to the Conformational Analysis of Pseudopeptides Built of Hydrazinoacids and α-Aminoxyacids","Journal of Organic Chemistry","2011","76","","8756","8767","10.1021/jo201390b","","","0.71069","MoKα","","0.061","0.0442","","","0.1129","0.1238","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026685","10.0389","0.0012","11.3271","0.0016","16.24","0.002","90","","91.606","0.005","90","","1846","0.4","110","2","110","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H20 Br3 O2 -","- C18 H20 Br3 O2 -","- C72 H80 Br12 O8 -","4","1","","Takashi Takeda; Koji Inukai; Kazukuni Tahara; Yoshito Tobe","Electrophilic Transannular Cyclization of Octadehydrodibenzo[12]annulene Reexamined: Indication of the Formation of Both anti- and syn-Indenofluorenes","Journal of Organic Chemistry","2011","76","","9116","9121","10.1021/jo2014593","","x-ray","0.71073","MoKα","","0.054","0.0408","","","0.0952","0.1053","","","","","","1.075","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026686","10.9779","0.0001","19.52","0.0001","9.1673","0.0001","90","","110.605","0.001","90","","1838.78","0.03","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N2 -","- C21 H16 Cl2 N2 -","- C84 H64 Cl8 N8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0547","0.0434","","","0.101","0.108","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026687","13.459","0.0004","16.7106","0.0004","8.6917","0.0002","90","","95.875","0.001","90","","1944.56","0.09","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.082","0.0624","","","0.1209","0.1333","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026688","12.3342","0.0004","16.1861","0.0007","13.6435","0.0005","90","","114.033","0.003","90","","2487.7","0.17","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N2 O1.5 -","- C28 H31 N2 O1.5 -","- C112 H124 N8 O6 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0814","0.0641","","","0.1706","0.1878","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026689","13.1146","0.0005","15.815","0.0006","12.5492","0.0004","90","","117.03","0.002","90","","2318.49","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C112 H120 N8 O12 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0489","0.0426","","","0.1071","0.1121","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026690","14.1081","0.0002","20.1366","0.0003","15.4154","0.0002","90","","110.504","0.001","90","","4101.91","0.1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O S2 -","- C22 H22 N2 O S2 -","- C176 H176 N16 O8 S16 -","8","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.1027","0.0741","","","0.1651","0.1913","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026691","8.6397","0.0003","31.307","0.0012","9.6178","0.0004","90","","97.778","0.002","90","","2577.52","0.17","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N2 O2 -","- C31 H34 N2 O2 -","- C124 H136 N8 O8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0577","0.0481","","","0.125","0.1339","","","","","","1.036","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026692","10.8624","0.0005","13.2065","0.0007","13.302","0.0006","82.057","0.002","68.127","0.002","89.763","0.004","1751.54","0.15","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 Cl2 N2 -","- C21 H14 Cl2 N2 -","- C84 H56 Cl8 N8 -","4","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0703","0.0535","","","0.1314","0.1448","","","","","","1.028","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026693","10.2257","0.0002","12.2274","0.0002","27.451","0.0006","90","","90","","90","","3432.3","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cl N3 -","- C43 H40 Cl N3 -","- C172 H160 Cl4 N12 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.1037","0.0499","","","0.0972","0.1152","","","","","","1.01","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026694","11.499","0.0004","13.5445","0.0006","14.2813","0.0007","88.9","0.002","73.118","0.002","83.078","0.004","2112.62","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.3 H20.6 Cl0.6 N2 -","- C25.288 H20.576 Cl0.576 N2 -","- C101.152 H82.304 Cl2.304 N8 -","4","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0794","0.0661","","","0.1796","0.1939","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026695","20.1375","0.0009","11.4619","0.0003","19.8679","0.0005","90","","119.34","0.002","90","","3997.6","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl4 N4 -","- C44 H40 Cl4 N4 -","- C176 H160 Cl16 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0924","0.0707","","","0.1844","0.2047","","","","","","1.028","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026696","15.8321","0.0005","14.3899","0.0004","18.7392","0.0006","90","","96.97","0.001","90","","4237.7","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl8 N4 -","- C44 H36 Cl8 N4 -","- C176 H144 Cl32 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0533","0.0474","","","0.1245","0.1302","","","","","","1.028","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026697","16.203","0.0003","14.5941","0.0004","18.67","0.0007","90","","96.606","0.002","90","","4385.5","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Br4 Cl4 N4 -","- C44 H36 Br4 Cl4 N4 -","- C176 H144 Br16 Cl16 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0485","0.0422","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026698","12.9125","0.0015","6.3682","0.0008","13.7532","0.0017","90","","117.733","0.002","90","","1001","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0432","0.0402","","","0.1028","0.1055","","","","","","1.09","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026699","5.983","0.0004","5.983","0.0004","46.449","0.004","90","","90","","120","","1439.94","0.18","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C66 H78 N6 O12 -","6","1","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0587","0.0549","","","0.1451","0.1558","","","","","","1.309","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026700","12.0031","0.0013","23.616","0.003","28.157","0.003","90","","90","","90","","7981.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N5 O6 -","- C46 H43 N5 O6 -","- C368 H344 N40 O48 -","8","2","","Adjaci F. Uchoa; Kleber T. de Oliveira; Mauricio S. Baptista; Adailton J. Bortoluzzi; Yassuko Iamamoto; Osvaldo A. Serra","Chlorin Photosensitizers Sterically Designed To Prevent Self-Aggregation","Journal of Organic Chemistry","2011","76","","8824","8832","10.1021/jo201568n","","","0.71073","MoKα","","0.2681","0.1054","","","0.2588","0.3581","","","","","","0.95","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026701","5.5668","0.0008","8.5894","0.0013","27.73","0.004","90","","90","","90","","1325.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1174","0.0683","","","0.097","0.1091","","","","","","1.024","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026702","4.8303","0.0009","19.076","0.003","16.995","0.003","90","","90.576","0.004","90","","1565.9","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.32 H1.94 N0.13 O0.52 -","- C2.32258 H1.93548 N0.129032 O0.516129 -","- C72 H60 N4 O16 -","31","15.5","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1066","0.0671","","","0.1345","0.1522","","","","","","1.012","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026703","5.649","0.004","11.099","0.006","18.312","0.014","88.81","0.03","84.98","0.03","85.27","0.02","1139.7","1.3","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 I O6 S -","- C21 H23 I O6 S -","- C42 H46 I2 O12 S2 -","2","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0426","","","","0.075","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026704","15.499","0.016","5.735","0.008","19.515","0.02","90","","94.85","0.03","90","","1728","3","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 I O3 -","- C17 H20 I O3 -","- C68 H80 I4 O12 -","4","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0468","","","","0.0716","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026705","9.079","0.008","10.357","0.008","17.832","0.018","99.63","0.03","94.03","0.04","89.28","0.03","1649","3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 I O3 -","- C17 H15 I O3 -","- C68 H60 I4 O12 -","4","2","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0378","","","","0.0472","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026706","5.967","0.005","14.634","0.016","19.764","0.018","90","","98.93","0.03","90","","1705","3","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C72 H68 I4 O12 -","4","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0292","","","","0.0369","","","","","","1.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026707","13.3529","0.0015","12.6154","0.0015","20.5522","0.0019","90","","99.7","0.02","90","","3412.6","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetramethyl 2,6-bis[4-(dimethylamino) phenyl]cyclohexane-1,1,4,4- tetracarboxylate","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C120 H152 N8 O32 -","4","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","","1.54184","CuKα","","0.2241","0.0504","","","0.1041","0.156","","","","","","0.811","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026708","8.2762","0.0008","9.5852","0.0009","12.597","0.0013","82.36","0.02","80.27","0.02","77.15","0.02","955.53","0.19","295","2","295","2","","","","","","","","4","P 1","P 1","1","","Tetramethyl 2,2'-((9S,10R)-1,2,3,5,6,7- hexamethoxy-9,10-dihydroanthracene- 9,10-diyl)-bis(methylene)dimalonate","","- C32.25 H41.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","1","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0417","0.035","","","0.0992","0.1056","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026709","16.6656","0.0008","9.5746","0.0005","18.642","0.0009","90","","114.9","0.01","90","","2698.1","0.3","295","2","295","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","Tetramethyl 2(SR),5(SR)‒bis(4‒methoxyphenyl)cyclohexane‒1,1,4,4‒tetracarboxylate","","- C28 H32 O10 -","- C28 H32 O10 -","- C112 H128 O40 -","4","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0669","0.0438","","","0.1097","0.1223","","","","","","1.005","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026710","9.3152","0.0019","7.6419","0.0017","20.709","0.004","90","","102.37","0.02","90","","1440","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetramethyl 2,2'-((9S,10R)-1,2,5,6-tetramethoxy-9,10-dihydroanthracene- 9,10-diyl)bis(methylene)dimalonate","","- C30 H36 O12 -","- C30 H36 O12 -","- C60 H72 O24 -","2","0.5","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0374","0.0339","","","0.092","0.0952","","","","","","0.94","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026711","17.0989","0.0008","8.7981","0.0006","19.2978","0.0009","90","","98.895","0.005","90","","2868.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N O4 -","- C33 H35 N O4 -","- C132 H140 N4 O16 -","4","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0749","0.0468","","","0.1046","0.1195","","","","","","1.032","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026712","10.3722","0.0006","10.5695","0.0005","14.3839","0.0009","98.241","0.004","99.394","0.005","92.118","0.004","1536.74","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N O4 -","- C37 H35 N O4 -","- C74 H70 N2 O8 -","2","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0863","0.0548","","","0.1328","0.1532","","","","","","1.033","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026713","11.1655","0.0006","19.4016","0.0008","15.3346","0.0007","90","","108.456","0.005","90","","3151.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N O4 -","- C37 H35 N O4 -","- C148 H140 N4 O16 -","4","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0796","0.049","","","0.1163","0.1347","","","","","","1.027","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026714","9.5376","0.0006","10.1404","0.0005","14.9134","0.0009","95.842","0.005","95.11","0.005","108.437","0.005","1349.93","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N O4 -","- C31 H33 N O4 -","- C62 H66 N2 O8 -","2","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0847","0.0517","","","0.1244","0.1434","","","","","","1.023","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026715","6.7764","0.0003","11.7822","0.0005","15.276","0.0007","90","","96.075","0.001","90","","1212.8","0.09","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Suwei Dong; Katharine J. Cahill; Moon-Il Kang; Nancy H. Colburn; Curtis J. Henrich; Jennifer A. Wilson; John A. Beutler; Richard P. Johnson; John A. Porco","Microwave-Based Reaction Screening: Tandem Retro-Diels-Alder/Diels-Alder Cycloadditions of o-Quinol Dimers","Journal of Organic Chemistry","2011","76","","8944","8954","10.1021/jo201658y","","","0.71073","MoKα","","0.0471","0.0374","","","0.0994","0.1073","","","","","","1.033","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026716","27.166","0.0014","7.5426","0.0004","17.829","0.0009","90","","108.241","0.003","90","","3469.6","0.3","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H53 N6 O10.5 -","- C28 H46 N6 O10.5 -","- C112 H184 N24 O42 -","4","1","","Sujeewa Ranatunga; Jinsoo S. Kim; Ujjwal Pal; Juan R. Del Valle","An Ester Enolate-Claisen Rearrangement Route to Substituted 4-Alkylideneprolines. Studies toward a Definitive Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2011","76","","8962","8976","10.1021/jo201727g","","","0.71073","MoKα","","0.0637","0.0501","","","0.1195","0.128","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026717","8.8907","0.0013","9.494","0.0014","14.442","0.002","72.405","0.011","81.083","0.012","69.498","0.011","1086.7","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl2 N2 O6 -","- C21 H18 Cl2 N2 O6 -","- C42 H36 Cl4 N4 O12 -","2","1","","Tryfon Zarganes-Tzitzikas; Michael A. Terzidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Synthesis of Functionalized Spirobenzofuranones via MCR involving 3-Cyanochromones","Journal of Organic Chemistry","2011","76","","9008","9014","10.1021/jo201732g","","","0.71073","MoKα","","0.0582","0.0364","","","0.0849","0.0904","","","","","","0.979","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026718","14.651","0.003","14.524","0.003","14.781","0.003","90","","114.53","0.03","90","","2861.4","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C74 H60 N2 O7 -","- C74 H60 N2 O7 -","- C148 H120 N4 O14 -","2","1","","Xin Xie; Xiangwei Du; Yifeng Chen; Yuanhong Liu","One-Pot Synthesis of Indole-Fused Scaffolds via Gold-Catalyzed Tandem Annulation Reactions of 1,2-Bis(alkynyl)-2-en-1-ones with Indoles","Journal of Organic Chemistry","2011","76","","9175","9181","10.1021/jo2017668","","","0.71073","MoKα","","0.0703","0.0504","","","0.1169","0.133","","","","","","1.035","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026719","9.1943","0.0013","11.9963","0.0017","12.7403","0.0019","63.084","0.002","81.883","0.003","81.254","0.003","1234.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H23 N O3 -","- C33 H23 N O3 -","- C66 H46 N2 O6 -","2","1","","Xin Xie; Xiangwei Du; Yifeng Chen; Yuanhong Liu","One-Pot Synthesis of Indole-Fused Scaffolds via Gold-Catalyzed Tandem Annulation Reactions of 1,2-Bis(alkynyl)-2-en-1-ones with Indoles","Journal of Organic Chemistry","2011","76","","9175","9181","10.1021/jo2017668","","","0.71073","MoKα","","0.0758","0.0554","","","0.1364","0.1475","","","","","","1.012","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026720","9.7718","0.0016","8.006","0.0009","20.49","0.0018","90","","108.09","0.008","90","","1523.8","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","1.54178","CuKα","","0.054","0.0421","","","0.1107","0.1183","","","","","","1.067","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026721","7.8462","0.0012","23.6535","0.0009","8.3161","0.0006","90","","97.932","0.009","90","","1528.6","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","1.54178","CuKα","","0.0831","0.041","","","0.1122","0.1371","","","","","","1.078","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026722","35.794","0.003","6.9906","0.0005","22.8659","0.0017","90","","108.969","0.001","90","","5410.8","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl3 N O6 -","- C28 H34 Cl3 N O6 -","- C224 H272 Cl24 N8 O48 -","8","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","0.71073","MoKα","","0.0893","0.0498","","","0.0993","0.1124","","","","","","1.015","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026723","7.939","0.002","13.091","0.003","16.816","0.004","90","","90","","90","","1747.7","0.7","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","0.71075","MoKα","","0.0324","0.0323","","","0.083","0.0831","","","","","","1.061","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026724","7.3665","0.0005","7.7794","0.0005","16.9363","0.0012","84.261","0.004","83.83","0.004","88.158","0.004","959.88","0.11","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O -","- C25 H26 O -","- C50 H52 O2 -","2","1","","Jennifer Tsoung; Katja Krämer; Adam Zajdlik; Clemence Liébert; Mark Lautens","Diastereoselective Friedel-Crafts Alkylation of Hydronaphthalenes","Journal of Organic Chemistry","2011","76","","9031","9045","10.1021/jo201781x","","","0.71073","MoKα","","0.0919","0.0557","","","0.1396","0.1689","","","","","","1.034","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026725","10.08","0.0005","7.0463","0.0003","11.1384","0.0006","90","","107.995","0.002","90","","752.42","0.06","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H17 -","- C22 H18 -","- C44 H36 -","2","1","","Jennifer Tsoung; Katja Krämer; Adam Zajdlik; Clemence Liébert; Mark Lautens","Diastereoselective Friedel-Crafts Alkylation of Hydronaphthalenes","Journal of Organic Chemistry","2011","76","","9031","9045","10.1021/jo201781x","","","0.71073","MoKα","","0.0469","0.0368","","","0.0861","0.0917","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026726","10.4988","0.0009","14.453","0.001","18.836","0.002","68.098","0.002","74.096","0.002","84.16","0.002","2550.4","0.4","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H51 N O2 S -","- C71 H51 N O2 S -","- C142 H102 N2 O4 S2 -","2","1","","Kimio Hirano; Yusuke Inaba; Kiyosei Takasu; Shinya Oishi; Yoshiji Takemoto; Nobutaka Fujii; Hiroaki Ohno","Gold(I)-Catalyzed Polycyclizations of Polyenyne-Type Anilines Based on Hydroamination and Consecutive Hydroarylation Cascade","Journal of Organic Chemistry","2011","76","","9068","9080","10.1021/jo2018119","","","0.7107","MoKα","","","0.073","","","","0.088","","","","","","1.766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026727","6.5614","0.0018","10.965","0.003","26.383","0.008","90","","90","","90","","1898.1","0.9","108","2","108","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","1","0.25","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0735","0.0521","","","0.1179","0.1827","","","","","","1.011","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026728","12.516","0.003","24.947","0.005","12.942","0.003","90","","116.07","0.03","90","","3629.8","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 H176 Cl16 N64 -","- C112 H176 Cl16 N64 -","- C112 H176 Cl16 N64 -","1","0.125","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71073","MoKα","","0.045","0.0399","","","0.098","0.1015","","","","","","1.144","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026729","13.489","0.003","8.687","0.002","19.035","0.004","90","","91.485","0.004","90","","2229.8","0.9","108","2","108","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H120 Cl8 N32 -","- C80 H120 Cl8 N32 -","- C80 H120 Cl8 N32 -","1","0.125","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0621","0.0449","","","0.1355","0.1992","","","","","","1.171","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026730","8.908","0.003","11.243","0.003","11.338","0.003","95.291","0.002","112.663","0.006","91.655","0.004","1040.8","0.5","118","2","118","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N6 O10 -","- C38 H58 N6 O10 -","- C38 H58 N6 O10 -","1","0.5","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0456","0.0366","","","0.099","0.1202","","","","","","1.14","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026731","28.907","0.01","7.097","0.002","19.34","0.006","90","","120.174","0.006","90","","3430.1","1.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C128 H200 Cl16 N8 -","8","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.0746","0.0428","","","0.1077","0.134","","","","","","1.078","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026732","37.226","0.019","8.122","0.004","27.186","0.013","90","","109.884","0.012","90","","7730","7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","rac-(RS,RS)-2-(1-(3,4-dichlorophenyl)-3-methylbutyl)piperidinium chloride Monohydrate","","- C35 H52 Cl6 N2 O2 -","- C17 H26 Cl3 N O -","- C272 H416 Cl48 N16 O16 -","16","2","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.1755","0.0909","","","0.215","0.2488","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026733","7.8496","0.0015","26.389","0.005","8.7973","0.0015","90","","115.512","0.004","90","","1644.6","0.5","93","1","93","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(RS,SR)-2-(1-(3-chlorophenyl)-3-methylbutyl)piperidinium chloride","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C64 H100 Cl8 N4 -","4","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.066","0.0466","","","0.1187","0.1277","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026734","12.72","0.005","11.077","0.004","13.974","0.006","90","","112.514","0.01","90","","1818.9","1.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(RS,RS)-2-(1-(3,4-dichlorophenyl)-3-methylbutyl)-1-methylpiperidinium chloride","","- C17 H26 Cl3 N -","- C17 H26 Cl3 N -","- C68 H104 Cl12 N4 -","4","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.0926","0.061","","","0.1601","0.1757","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026735","17.2161","0.0003","5.9583","0.0001","17.2485","0.0003","90","","116.211","0.001","90","","1587.39","0.05","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","","R. Frederick Lambert; Robert J. Hinkle; Stephen E. Ammann; Yajing Lian; Jia Liu; Shane E. Lewis; Robert D. Pike","Bi(OTf)3-, TfOH-, and TMSOTf- Mediated, One-Pot Epoxide Rearrangement, Addition, and Intramolecular Silyl-Modified Sakurai (ISMS) Cascade toward Dihydropyrans: Comparison of Catalysts and Role of Bi(OTf)3","Journal of Organic Chemistry","2011","76","","9269","9277","10.1021/jo201478d","","","1.54178","CuKα","","0.0284","0.0283","","","0.0748","0.0749","","","","","","1.043","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026736","9.5212","0.0003","10.8122","0.0004","28.4537","0.0011","90","","94.394","0.01","90","","2920.56","0.19","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(4-Nitrophenyl)-3,4,8,9-tetraphenyl-5,7-dioxa-1-azabicylo[4.4.1]undeca-3,8- diene-2,10-dione","","- C38 H26 N2 O6 -","- C38 H26 N2 O6 -","- C152 H104 N8 O24 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.067","0.053","","","0.1369","0.1482","","","","","","1.062","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026737","9.6834","0.0002","19.3806","0.0004","19.9584","0.0004","90","","98.464","0.01","90","","3704.8","0.16","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(6RS,7RS)-7-Methyl-3,4,6-triphenyl-5-oxa-1-azabicyclo[4.1.0]hept-3-en-2-one","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0431","","","0.1082","0.1176","","","","","","1.03","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026738","10.5934","0.0002","12.6294","0.0003","18.7414","0.0004","90","","90","","90","","2507.38","0.09","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Benzoyl-2',4'-diphenylspiro[fluorene-9,3'-pyrrol]-5'(4'H)-one","","- C35 H23 N O2 -","- C35 H23 N O2 -","- C140 H92 N4 O8 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0566","0.0391","","","0.0864","0.0981","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026739","14.3216","0.0005","14.1401","0.0005","20.2005","0.0007","90","","93.068","0.01","90","","4084.9","0.3","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","(7'RS,8a'SR)-7'-Benzoyl-2',3',7',8a'-tetraphenylspiro[fluorene-9,8'- pyrrolo[2,1-b][1,3]oxazine]-4',6'(7'H,8a'H)-dione","","- C51 H35 Cl2 N O4 -","- C51 H35 Cl2 N O4 -","- C204 H140 Cl8 N4 O16 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0843","0.0529","","","0.12","0.1322","","","","","","0.987","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026740","10.1297","0.0003","12.8314","0.0004","14.6074","0.0004","96.969","0.01","104.944","0.01","106.416","0.01","1720.58","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","(Z)-Methyl 3-(5-oxo-2,6,7-triphenyl-2,3,4,5-tetrahydro-1,4-oxazepin-2-yloxy)- 2,3-diphenylacrylate","","- C41 H37 N O6 -","- C41 H37 N O6 -","- C82 H74 N2 O12 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0827","0.0441","","","0.0889","0.0996","","","","","","0.921","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026741","24.4292","0.0006","10.281","0.0003","21.1739","0.0005","90","","117.263","0.01","90","","4727.2","0.5","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2RS,3SR)-2-Methoxy-2,3,6,7-tetraphenyl-3,4-dihydro-1,4-oxazepin-5(2H)-one","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C240 H200 N8 O24 -","8","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0513","0.0411","","","0.1123","0.1217","","","","","","1.049","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026742","31.808","0.002","5.6746","0.0003","20.9233","0.0012","90","","98.1","0.006","90","","3738.9","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Jian Cao; Maozhong Miao; Wanli Chen; Luling Wu; Xian Huang","Manganese(III) Acetate-Mediated Cyclization of Diarylmethylenecyclopropa[b]naphthalenes: A Method for the Synthesis of 1,2-Benzanthracene Derivatives","Journal of Organic Chemistry","2011","76","","9329","9337","10.1021/jo2015906","","","1.54184","CuKα","","0.0675","0.0516","","","0.1421","0.16","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026743","13.07","0.02","9.621","0.014","23.58","0.04","90","","106.99","0.03","90","","2836","8","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 N6 O2 -","- C66 H64 N6 O2 -","- C132 H128 N12 O4 -","2","0.5","","Tomohito Ide; Daisuke Takeuchi; Kohtaro Osakada; Takashi Sato; Masayoshi Higuchi","Aromatic Macrocycle Containing Amine and Imine Groups: Intramolecular Charge-Transfer and Multiple Redox Behavior","Journal of Organic Chemistry","2011","76","","9504","9506","10.1021/jo201650t","","","0.7107","MoKα","","","0.0916","","","","0.2215","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026744","7.7147","0.0013","12.9963","0.0012","18.83","0.006","90","","90","","90","","1887.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 B F4 N2 -","- C19 H23 B F4 N2 -","- C76 H92 B4 F16 N8 -","4","1","","Konstantin Troshin; Claus Schindele; Herbert Mayr","Electrophilicities of Symmetrically Substituted 1,3-Diarylallyl Cations","Journal of Organic Chemistry","2011","76","","9391","9408","10.1021/jo201668w","","","0.71073","MoKα","","0.0475","0.0364","","","0.0991","0.1097","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026745","23.0429","0.0006","19.253","0.0005","15.1462","0.0004","90","","105.922","0.001","90","","6461.7","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H23 Cl N2 O6.5 Pd2 S2 -","- C26.5 H23 Cl N2 O6.5 Pd2 S2 -","- C212 H184 Cl8 N16 O52 Pd16 S16 -","8","1","","José A. Romero-Revilla; Alfonso García-Rubia; Ramón Goméz Arrayás; M. Ángeles Fernández-Ibáñez; Juan C. Carretero","Palladium-Catalyzed Coupling of Arene C-H Bonds with Methyl- and Arylboron Reagents Assisted by the Removable 2-Pyridylsulfinyl Group","Journal of Organic Chemistry","2011","76","","9525","9530","10.1021/jo2018137","","","0.71073","MoKα","","0.0466","0.0322","","","0.1161","0.1377","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026746","10.3126","0.0002","13.3307","0.0003","20.6168","0.0005","90","","90","","90","","2834.28","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S,8aS)-2-bromo-1,2,3,5,8,8a-hexahydro-1-indolizinol","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C96 H144 Br12 N12 O12 -","12","3","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","x-ray","1.54178","CuKα","","0.0989","0.0471","","","0.0989","0.1211","","","","","","0.942","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026747","7.735","0.001","6.605","0.001","17.832","0.001","90","","92.495","0.004","90","","910.17","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1SR,2SR,8aSR)-2.bromooctahydro-1-indolizinol","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C32 H56 Br4 N4 O4 -","4","1","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","","1.54178","CuKα","","0.0858","0.0788","","","0.217","0.2224","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026748","21.759","0.001","21.759","0.001","10.388","0.001","90","","90","","120","","4259.3","0.5","293","2","295","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(1S,2S,8aS)-2.bromooctahydro-1-indolizinol","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C144 H252 Br18 N18 O18 -","18","1","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","","1.54178","CuKα","","0.0827","0.0506","","","0.11","0.1237","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026749","7.7653","0.0005","7.7653","0.0005","17.0129","0.0012","90","","90","","90","","1025.88","0.12","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C16 H32 Br2 Mg O4 -","- C16 H32 Br2 Mg O4 -","- C32 H64 Br4 Mg2 O8 -","2","0.25","","Jacob W. Clary; Terry J. Rettenmaier; Rachel Snelling; Whitney Bryks; Jesse Banwell; W. Todd Wipke; Bakthan Singaram","Hydride as a Leaving Group in the Reaction of Pinacolborane with Halides under Ambient Grignard and Barbier Conditions. One-Pot Synthesis of Alkyl, Aryl, Heteroaryl, Vinyl, and Allyl Pinacolboronic Esters","Journal of Organic Chemistry","2011","76","","9602","9610","10.1021/jo201093u","","","0.71073","MoKα","","0.0202","0.0179","","","0.0416","0.0424","","","","","","1.081","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026750","6.9022","0.0002","8.7137","0.0003","30.7371","0.0009","90","","90","","90","","1848.64","0.1","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.042587","0.035161","","","","0.07879","","","","","","1.05893","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026751","5.6331","0.0003","9.5901","0.0006","32.6895","0.0019","90","","90","","90","","1765.95","0.18","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.084563","0.051163","","","","0.102433","","","","","","0.976826","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026752","5.4007","0.001","16.268","0.003","11.926","0.002","90","","102.814","0.013","90","","1021.7","0.3","90","2","90","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","4-(carboxymethyl)benzenediazonium tetrafluoroborate","","- C8 H7 B F4 N2 O2 -","- C8 H7 B F4 N2 O2 -","- C32 H28 B4 F16 N8 O8 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0762","0.0443","","","0.0864","0.0978","","","","","","1.021","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026753","14.404","0.002","9.8257","0.0014","12.052","0.0016","90","","102.494","0.007","90","","1665.3","0.4","90","2","90","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 2-hydroxy-5-[(E)-(2-methoxy-1,1-dimethyl-2-oxoethyl)diazenyl] benzoate","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C64 H88 N8 O20 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0703","0.0446","","","0.1036","0.1142","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026754","5.7594","0.001","9.521","0.002","16.404","0.003","78.73","0.013","81.125","0.012","83.834","0.012","868.8","0.3","90","2","90","2","","","","","","","synthesized","4","P -1","-P 1","2","","Methyl 2-{2-[4-(2-tert-butoxy-2-oxoethyl)phenyl]hydrazinyl}-2-methylpropanoate","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C34 H52 N4 O8 -","2","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0745","0.0472","","","0.1022","0.1151","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026755","45.621","0.005","12.0348","0.001","20.808","0.002","90","","108.498","0.004","90","","10834.2","1.8","90","0.5","90","0.5","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","{4-[(E)-(2-methoxy-1,1-dimethyl-2-oxoethyl)diazenyl]phenyl}acetic acid","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C416 H512 N64 O128 -","32","4","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0978","0.0499","","","0.1053","0.1203","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026756","9.1381","0.0006","23.089","0.0009","8.4213","0.0006","90","","95.317","0.003","90","","1769.16","0.18","90","2","90","2","","","","","","","synthesized","4","C 1 c 1","C -2yc","9","","Methyl 2-{(E)-[4-(2-tert-butoxy-2-oxoethyl)phenyl]diazenyl}-2-methyl propanoate","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0893","0.0783","","","0.2334","0.2472","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026757","15.263","0.003","7.0712","0.0013","29.628","0.005","90","","101.924","0.003","90","","3128.7","1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","VCD-68","","","- C29 H33 N3 O14 -","- C29 H33 N3 O14 -","- C116 H132 N12 O56 -","4","2","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.71073","MoKα","","0.0752","0.0453","","","0.097","0.1101","","","","","","1.017","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026758","9.4472","0.0012","10.9829","0.0014","11.0176","0.0014","90","","90","","90","","1143.2","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.7107","MoKα","","0.0348","0.0328","","","0.0833","0.0846","","","","","","1.083","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026759","15.717","","12.299","","15.454","","90","","95.11","","90","","2975.44","","297","2","297","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","2","","Ta-Hsien Chuang; Wei-Yu Chang; Chien-Fu Li; Yu-Chia Wen; Chia-Chen Tsai","Substituent Effects on the Iodine-Catalyzed Thermal Cyclization of 3,4-Diphenylbuta-1,3-dienyl Isocyanates: Mechanistic Studies","Journal of Organic Chemistry","2011","76","","9678","9686","10.1021/jo2017247","","x-ray","0.71073","MoKα","","0.1248","0.0431","","","0.0699","0.0781","","","","","","0.957","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026760","12.975","0.0011","11.1695","0.001","23.176","0.002","90","","91.288","0.001","90","","3357.9","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Kuet21","(8S,9S)-2,15-bis(benzyloxy)- 1,3,8,9,14,16-hexamethoxy- 7,8,9,10-tetrahydrodibenzo[h,j][1,6]dioxacyclododecine- 5,12-dione","","- C38 H40 O12 -","- C38 H40 O12 -","- C152 H160 O48 -","4","2","","Noriaki Asakura; Shohei Fujimoto; Naoki Michihata; Kentaro Nishii; Hiroshi Imagawa; Hidetoshi Yamada","Synthesis of Chiral and Modifiable Hexahydroxydiphenoyl Compounds","Journal of Organic Chemistry","2011","76","","9711","9719","10.1021/jo201750d","","","0.71073","MoKα","","0.0335","0.0321","","","0.0738","0.0745","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026761","5.324","0.0001","12.6918","0.0003","23.0937","0.0006","90","","90","","90","","1560.47","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide M","(1S,2R,5R,6S,7R,8R)-6,7-dihydroxy-5,8-dimethyl-2- pentyl-3,11-dioxa-bicyclo[6.2.1]undecan-4-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0994","0.0568","","","0.151","0.181","","","","","","1.049","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026762","5.1842","0.0001","22.775","0.0004","30.4741","0.0004","90","","90","","90","","3598.08","0.11","296","2","296","2","","","","","","","","3","C 2 2 21","C 2c 2","20","cytospolide P","(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10 -pentyloxecan-6-yl acetate","","- C17 H28 O6 -","- C17 H28 O6 -","- C136 H224 O48 -","8","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0463","0.0389","","","0.1038","0.1135","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026763","5.1139","0.0002","16.2267","0.0005","19.0927","0.0006","90","","90","","90","","1584.35","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide Q","(3R,4S,5S)-4-hydroxy-5-((2R,5S)-5-((R)-1-hydroxyhexyl)- tetrahydrofuran-2-yl)-3-methyl-dihydrofuran-2(3H)-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0327","0.0311","","","0.0877","0.0892","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026764","11.93","0.004","14.202","0.005","12.708","0.004","90","","105.706","0.005","90","","2072.7","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2b-(2-chloroethyl)-2aH, 2bH-corannulene-2a-yl aluminum tetrachloride","","- C22 H14 Al Cl5 -","- C22 H14 Al Cl5 -","- C88 H56 Al4 Cl20 -","4","1","","Alexander V. Zabula; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Selective Surface Decoration of Corannulene","Journal of Organic Chemistry","2011","76","","9572","9576","10.1021/jo201765j","","","0.71073","Mo-Kα","","0.1184","0.0795","","","0.1597","0.1772","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026765","9.7555","0.0014","14.481","0.002","15.035","0.002","90","","93.891","0.003","90","","2119.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2b-(2-bromoethyl)-2aH, 2bH-corannulene-2a-yl aluminum tetrachloride","","- C22 H14 Al Br Cl4 -","- C22 H14 Al Br Cl4 -","- C88 H56 Al4 Br4 Cl16 -","4","1","","Alexander V. Zabula; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Selective Surface Decoration of Corannulene","Journal of Organic Chemistry","2011","76","","9572","9576","10.1021/jo201765j","","","0.71073","Mo-Kα","","0.0929","0.059","","","0.1331","0.1513","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026766","6.903","0.002","12.849","0.004","22.305","0.007","90","","90","","90","","1978.4","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C84 H80 N8 O32 -","4","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0697","0.0494","","","0.1151","0.1281","","","","","","1.066","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026767","9.0911","0.0009","9.0911","0.0009","31.405","0.006","90","","90","","90","","2595.6","0.6","200","2","200","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H21 N O -","- C14 H21 N O -","- C112 H168 N8 O8 -","8","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0479","0.0443","","","0.1142","0.1187","","","","","","1.08","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026768","9.3034","0.0014","14.352","0.002","31.116","0.005","90","","90","","90","","4154.7","1.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O -","- C15 H23 N O -","- C180 H276 N12 O12 -","12","3","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0804","0.0554","","","0.1185","0.1301","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026769","12.2038","0.0007","4.1403","0.0003","22.3872","0.0016","90","","90","","90","","1131.17","0.13","130","","130","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","1","","Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio","Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity","Journal of Organic Chemistry","2011","76","","9757","9763","10.1021/jo201856u","","","0.7107","MoKα","","0.0548","0.049","","","0.1219","0.1268","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026770","10.9575","0.0003","17.3679","0.0005","7.9564","0.0002","90","","108.867","0.003","90","","1432.82","0.07","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio","Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity","Journal of Organic Chemistry","2011","76","","9757","9763","10.1021/jo201856u","","","0.7107","MoKα","","0.0433","0.0348","","","0.0821","0.0863","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026771","17.296","0.003","9.0264","0.0016","17.03","0.003","90","","28.664","0.004","90","","1275.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(11bR*,12R*)-11b,12-dihydroxy-11b,12-dihydroisoindolo[2,1-b]isoquinolin -7(5H)-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0588","0.0442","","","0.1136","0.1201","","","","","","1.062","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026772","10.8606","0.0016","8.0593","0.0008","15.861","0.002","90","","105.485","0.006","90","","1337.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(13R*,13aR*)-13-hydroxy-7,8,13,13a-tetrahydro-5H-benzo[4,5]azepino[2,1-a] isoindol-5-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0655","0.0423","","","0.0999","0.1074","","","","","","1.026","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026773","14.5","0.002","7.1527","0.0012","25.93","0.004","90","","99.797","0.009","90","","2650.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(13R*,13aS*)-13-hydroxy-7,8,13,13a-tetrahydro-5H-benzo[4,5]azepino[2,1-a] isoindol-5-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0951","0.0464","","","0.0988","0.1111","","","","","","0.942","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026774","11.4651","0.0003","10.4634","0.0002","17.3065","0.0005","90","","102.084","0.001","90","","2030.15","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","0.71073","MoKα","","0.0627","0.0341","","","0.0746","0.0851","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026775","13.337","0.004","17.093","0.005","17.547","0.005","90","","105.324","0.018","90","","3858","2","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C192 H184 N8 O32 -","8","4","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","1.54178","CuKα","","0.0233","0.0233","","","0.0667","0.0668","","","","","","1.002","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026776","7.867","0.004","11.447","0.006","13.759","0.007","72.21","0.007","86.597","0.008","76.128","0.008","1145.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br N O4 -","- C26 H26 Br N O4 -","- C52 H52 Br2 N2 O8 -","2","1","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","0.71073","MoKα","","0.0564","0.0485","","","0.1331","0.151","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026777","13.589","0.003","21.416","0.006","16.083","0.003","90","","90.573","0.008","90","","4680.3","1.9","298.1","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C104 H122 N8 -","- C104 H122 N8 -","- C208 H244 N16 -","2","1","","Shi Li; Zhiying Jia; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Dehydro Side Coupling of Substituted Pentacene Derivatives","Journal of Organic Chemistry","2011","76","","9983","9987","10.1021/jo201659q","","","0.71075","MoKα","","","0.0651","","","","0.0886","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026778","18.795","0.01","11.342","0.006","8.188","0.004","90","","100.865","0.007","90","","1714.2","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 B Br4 F2 N2 -","- C15 H7 B Br4 F2 N2 -","- C60 H28 B4 Br16 F8 N8 -","4","0.5","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0407","0.0276","","","0.0632","0.0683","","","","","","1.029","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026779","13.367","0.002","18.949","0.003","7.8492","0.0013","90","","90.778","0.002","90","","1988","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H5 B Br6 F2 N2 -","- C15 H5 B Br6 F2 N2 -","- C60 H20 B4 Br24 F8 N8 -","4","0.5","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0638","0.0316","","","0.0669","0.0773","","","","","","1.019","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026780","21.8928","0.0007","21.8928","0.0007","6.3572","0.0004","90","","90","","90","","3047","0.2","293","2","293","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C16 H12 B Br F2 N2 O -","- C16 H12 B Br F2 N2 O -","- C128 H96 B8 Br8 F16 N16 O8 -","8","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0813","0.068","","","0.1921","0.2039","","","","","","1.058","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026781","7.346","0.004","10.948","0.006","20.674","0.012","90","","90.743","0.008","90","","1662.5","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 B Br2 F2 N2 O -","- C16 H11 B Br2 F2 N2 O -","- C64 H44 B4 Br8 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.1707","0.0801","","","0.2032","0.251","","","","","","0.999","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026782","8.0077","0.0009","11.2415","0.0013","11.3767","0.0013","73.294","0.001","74.214","0.001","83.963","0.001","943.49","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Br4 F2 N2 O -","- C16 H9 B Br4 F2 N2 O -","- C32 H18 B2 Br8 F4 N4 O2 -","2","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0625","0.0419","","","0.1008","0.1114","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026783","11.1392","0.0008","9.0066","0.0006","19.8041","0.0014","90","","90.677","0.001","90","","1986.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 B Br5 F2 N2 O -","- C16 H8 B Br5 F2 N2 O -","- C64 H32 B4 Br20 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0836","0.0446","","","0.1135","0.1285","","","","","","1.047","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026784","10.403","0.004","12.637","0.004","19.408","0.006","90","","106.107","0.016","90","","2451.3","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 B Br7 F2 N2 O -","- C16 H6 B Br7 F2 N2 O -","- C64 H24 B4 Br28 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.2155","0.0742","","","0.1579","0.1744","","","","","","1.125","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026785","17.35","0.003","13.448","0.002","9.9745","0.0015","90","","93.922","0.002","90","","2321.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 B Br5 F2 N3 -","- C21 H11 B Br5 F2 N3 -","- C84 H44 B4 Br20 F8 N12 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.093","0.0433","","","0.0974","0.1157","","","","","","1.007","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026786","19.356","0.002","27.471","0.003","5.689","0.0007","90","","90","","90","","3025","0.6","293","2","293","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C29 H19 B Br4 F2 N2 S2 -","- C29 H19 B Br4 F2 N2 S2 -","- C116 H76 B4 Br16 F8 N8 S8 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.1053","0.0691","","","0.1624","0.184","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026787","12.6861","0.0009","13.9611","0.001","14.4382","0.001","62.897","0.001","79.707","0.001","67.317","0.001","2100.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H33 B Br2 F2 N2 S4 -","- C43 H33 B Br2 F2 N2 S4 -","- C86 H66 B2 Br4 F4 N4 S8 -","2","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0729","0.0395","","","0.0903","0.0976","","","","","","1.051","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026788","8.9375","0.0003","15.2834","0.0004","15.6299","0.0005","90","","95.811","0.001","90","","2124","0.11","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl5 N2 Ru -","- C16 H23 Cl5 N2 Ru -","- C64 H92 Cl20 N8 Ru4 -","4","1","","Cheng Chen; Yao Zhang; Soon Hyeok Hong","N-Heterocyclic Carbene Based Ruthenium-Catalyzed Direct Amide Synthesis from Alcohols and Secondary Amines: Involvement of Esters","Journal of Organic Chemistry","2011","76","","10005","10010","10.1021/jo201756z","","","0.71073","MoKα","","0.0309","0.0251","","","0.0662","0.0691","","","","","","1.06","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026789","11.3087","0.0005","8.2975","0.0003","11.8172","0.0005","90","","102.904","0.002","90","","1080.85","0.08","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0423","0.0346","","","0.0835","0.0905","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026790","12.6473","0.0002","8.4035","0.0001","22.6779","0.0003","90","","94.086","0.001","90","","2404.12","0.06","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C104 H144 N8 O16 -","4","2","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0311","0.0297","","","0.0731","0.0748","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026791","8.3568","0.0003","14.9131","0.0005","20.9098","0.0007","90","","90","","90","","2605.9","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0422","0.037","","","0.0906","0.0939","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026792","12.746","0.003","12.818","0.003","20.796","0.005","90","","90","","90","","3397.6","1.4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 Cl3 N2 O4 -","- C35 H41 Cl3 N2 O4 -","- C140 H164 Cl12 N8 O16 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","0.71073","MoKα","","0.0673","0.0444","","","0.084","0.0933","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026793","7.7869","0.0006","16.4712","0.0012","17.3078","0.0013","100.676","0.004","92.585","0.004","92.799","0.004","2175.5","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","ÎTBA2TCNQ5â","","","- C47 H50 N11 O -","- C47 H50 N11 O -","- C94 H100 N22 O2 -","2","1","","Jinzhen Lu; Xiaohu Qu; Germanas Peleckis; John F Boas; Alan M Bond; Lisandra L Martin","Synthesis and Structural Characterization of a TCNQ Based Organic Semi-Conducting Material with a 2:5 Stoichiometry","Journal of Organic Chemistry","2011","76","","10078","10082","10.1021/jo2018334","","","0.71073","MoKα","","0.1116","0.0661","","","0.1713","0.2022","","","","","","1.028","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026794","6.283","0.002","10.821","0.002","36.211","0.003","90","","90","","90","","2461.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N5 O10 -","- C22 H27 N5 O10 -","- C88 H108 N20 O40 -","4","1","","Anatol P. Spork; Daniel Wiegmann; Markus Granitzka; Dietmar Stalke; Christian Ducho","Stereoselective Synthesis of Uridine-Derived Nucleosyl Amino Acids","Journal of Organic Chemistry","2011","76","","10083","10098","10.1021/jo201935w","","","0.71073","MoKα","","0.0674","0.0656","","","0.1333","0.134","","","","","","1.243","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026795","25.823","0.008","25.671","0.009","26.199","0.009","90","","90","","90","","17367","10","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H68 N8 O4 -","- C45 H66 N8 O4 -","- C720 H1056 N128 O64 -","16","2","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","1.54178","CuKα","","0.1356","0.0694","","","0.1253","0.1467","","","","","","1.033","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026796","9.2544","0.0012","9.9125","0.0013","12.2581","0.0016","84.279","0.004","73.717","0.004","63.471","0.003","965.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N2 O2 -","- C19 H30 N2 O2 -","- C38 H60 N4 O4 -","2","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.0879","0.056","","","0.1446","0.1645","","","","","","1.035","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026797","15.256","0.003","25.707","0.005","13.471","0.003","90","","91.867","0.006","90","","5280.3","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 N10 O11 -","- C45 H72 N10 O11 -","- C180 H288 N40 O44 -","4","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.1845","0.095","","","0.2265","0.2858","","","","","","1.006","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026798","13.148","0.003","23.572","0.006","19.584","0.005","90","","100.538","0.008","90","","5967","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H96 F N9 -","- C61 H96 F N9 -","- C244 H384 F4 N36 -","4","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.186","0.07","","","0.1657","0.2212","","","","","","0.994","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026799","9.6498","0.0005","9.7688","0.0004","16.9162","0.0008","90","","90","","90","","1594.64","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","","Santosh J. Gharpure; J. V. K. Prasad","Stereoselective Synthesis of C-Substituted Morpholine Derivatives using Reductive Etherification Reaction: Total Synthesis of Chelonin C","Journal of Organic Chemistry","2011","76","","10325","10331","10.1021/jo201975b","","","0.71073","MoKα","","0.0585","0.0407","","","0.0917","0.0993","","","","","","1.089","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026800","9.858","0.003","10.449","0.002","13.184","0.004","90","","96.313","0.007","90","","1349.8","0.6","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 F3 N O2 -","- C34 H32 F3 N O2 -","- C68 H64 F6 N2 O4 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.12","0.0567","","","0.1067","0.1289","","","","","","0.978","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026801","10.3717","0.0008","26.868","0.003","12.3492","0.0012","90","","90.89","0.002","90","","3440.9","0.6","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H83 Li N4 O4 Y -","- C84 H83 Li N4 O4 Y -","- C168 H166 Li2 N8 O8 Y2 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.1153","0.0547","","","0.0876","0.1037","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026802","11.55","0.001","12.494","0.0011","19.908","0.003","95.16","0.01","104.4","0.01","112.71","0.008","2510.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H26 I N O9 -","- C75 H26 I N O9 -","- C150 H52 I2 N2 O18 -","2","1","","Yuming Yu; Xiang Xie; Tong Zhang; Shuming Liu; Yuanhua Shao; Liangbing Gan; Yuliang Li","Synthesis of 18-Membered Open-Cage Fullerenes through Controlled Stepwise Fullerene Skeleton Bond Cleavage Processes and Substituent-Mediated Tuning of the Redox Potential of Open-Cage Fullerenes","Journal of Organic Chemistry","2011","76","","10148","10153","10.1021/jo202014q","","","0.71073","MoKα","","0.0987","0.0707","","","0.1392","0.153","","","","","","1.112","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026803","11.987","0.004","10.059","0.004","12.949","0.005","90","","111.838","0.004","90","","1449.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 N2 O4 -","- C32 H46 N2 O4 -","- C64 H92 N4 O8 -","2","0.5","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0759","0.0483","","","0.1193","0.1392","","","","","","1.03","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026804","12.247","0.007","9.209","0.005","13.959","0.008","90","","114.35","0.007","90","","1434.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1086","0.0557","","","0.1061","0.126","","","","","","0.982","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026805","7.425","0.003","8.152","0.004","11.99","0.005","78.823","0.007","79.424","0.006","66.947","0.006","650.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0928","0.0881","","","0.2314","0.237","","","","","","1.078","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026806","7.721","0.008","13.669","0.014","18.145","0.018","90","","92.817","0.01","90","","1913","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1769","0.0715","","","0.1364","0.1786","","","","","","1.004","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026807","22.9","0.03","9.06","0.011","18.57","0.02","90","","90.78","0.04","90","","3852","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C160 H184 N8 O40 -","8","2","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0514","0.0394","","","0.0937","0.102","","","","","","1.022","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026808","7.228","0.0006","10.2719","0.0008","15.1769","0.0011","99.413","0.005","99.406","0.004","103.506","0.004","1056.75","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C46 H58 N2 O12 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0904","0.0511","","","0.1141","0.1367","","","","","","1.004","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026809","8.632","0.007","11.038","0.009","12.753","0.011","105.682","0.008","95.718","0.009","110.662","0.007","1068.7","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C46 H58 N2 O12 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1294","0.0785","","","0.2434","0.2693","","","","","","1.07","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026810","10.925","0.002","8.6147","0.0017","15.619","0.005","90","","126.37","0.02","90","","1183.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C48 H32 F12 N4 O12 -","4","1","","Feifei Zhao; Xin Liu; Rui Qi; Daisy Zhang-Negrerie; Jianhui Huang; Yunfei Du; Kang Zhao","Synthesis of 2-(Trifluoromethyl)oxazoles from β-Monosubstituted Enamines via PhI(OCOCF3)2-Mediated Trifluoroacetoxylation and Cyclization","Journal of Organic Chemistry","2011","76","","10338","10344","10.1021/jo202070h","","","0.71073","MoKα","","0.1304","0.0756","","","0.1941","0.2353","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026811","7.317","0.0002","10.796","0.0003","15.19","0.0005","90","","116.288","0.002","90","","1075.83","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Joanna Piechowska; Daniel T. Gryko","Preparation of a Family of 10-Hydroxybenzo[h]quinoline Analogues via a Modified Sanford Reaction and Their Excited State Intramolecular Proton Transfer Properties","Journal of Organic Chemistry","2011","76","","10220","10228","10.1021/jo202072d","","","0.71073","MoKα","","0.0394","0.0358","","","0.0936","0.0968","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026812","40.531","0.003","40.531","0.003","4.3751","0.0004","90","","90","","120","","6224.3","0.9","223","2","223","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H20 N2 O2 -","- C36 H20 N2 O2 -","- C324 H180 N18 O18 -","9","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.1226","0.069","","","0.1007","0.1077","","","","","","1.727","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026813","16.3473","0.0014","8.9927","0.0008","23.966","0.002","90","","94.853","0.002","90","","3510.5","0.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N4 O2 -","- C40 H30 N4 O2 -","- C160 H120 N16 O8 -","4","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.1108","0.0722","","","0.1963","0.22","","","","","","1.009","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026814","20.44","0.004","5.8011","0.0011","30.416","0.006","90","","108.933","0.005","90","","3411.4","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cl2 N6 O2 -","- C39 H30 Cl2 N6 O2 -","- C156 H120 Cl8 N24 O8 -","4","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.2044","0.0659","","","0.1477","0.1821","","","","","","0.908","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026815","9.302","0.005","8.916","0.004","19.097","0.009","90","","104.096","0.001","90","","1536.1","1.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-(dimethylamino)-4-methylphenyl)naphthalen-2-ol","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Malapaka Chandrasekharam; Barreddi Chiranjeevi; Kankatala S. V. Gupta; B. Sridhar","Iron-Catalyzed Regioselective Direct Oxidative Aryl-Aryl Cross-Coupling","Journal of Organic Chemistry","2011","76","","10229","10235","10.1021/jo202152b","","x-ray","0.71073","MoKα","","0.054","0.0443","","","0.1231","0.1312","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026818","9.799","0.005","34.783","0.016","13.065","0.007","90","","124.708","0.012","90","","3661","3","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C208 H224 -","8","2","","Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell","Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane","Journal of Organic Chemistry","2012","77","","57","67","10.1021/jo201013q","","","0.71075","MoKα","","0.1324","0.124","","","0.35","0.3563","","","","","","1.197","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026819","7.3519","0.0019","10.559","0.003","12.901","0.003","73.766","0.016","73.458","0.017","80.23","0.02","917.3","0.4","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","1","","Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell","Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane","Journal of Organic Chemistry","2012","77","","57","67","10.1021/jo201013q","","","0.71075","MoKα","","0.0771","0.0659","","","0.1559","0.1655","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026820","10.776","0.002","12.517","0.003","17.465","0.004","90","","90","","90","","2355.7","0.9","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H18 B F2 N3 S2 -","- C28 H18 B F2 N3 S2 -","- C112 H72 B4 F8 N12 S8 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.0508","0.043","","","0.1488","0.1689","","","","","","0.55","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026821","12.984","0.011","16.31","0.013","21.56","0.017","90","","90","","90","","4566","6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H28 B2 F4 N6 S8 -","- C48 H28 B2 F4 N6 S8 -","- C192 H112 B8 F16 N24 S32 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.2149","0.0927","","","0.2352","0.2778","","","","","","0.999","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026822","26.3811","0.0009","6.9702","0.0003","11.4961","0.0005","90","","96.058","0.002","90","","2102.12","0.15","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0335","0.0322","","","0.0824","0.0844","","","","","","1.042","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026823","12.6964","0.0003","10.2021","0.0003","16.7996","0.0003","90","","99.8944","0.0014","90","","2143.68","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","2","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0296","0.0273","","","0.0638","0.0666","","","","","","1.056","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026824","5.3633","0.0002","11.0398","0.0004","32.0423","0.0012","90","","90","","90","","1897.22","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0975","0.0788","","","0.1756","0.1905","","","","","","1.21","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026825","19.9932","0.0019","19.5534","0.0018","12.3256","0.0012","90","","112.147","0.004","90","","4463","0.7","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2S,3S)-methyl 1-benzyl-5-oxo-2-phenyl-3-((S)-p-tolylsulfinyl) pyrrolidine-3-carboxylate","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","2","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","0.71073","MoKα","","0.036","0.0319","","","0.077","0.0795","","","","","","1.017","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026826","14.634","0.0004","16.3527","0.0004","13.0268","0.0003","90","","92.626","0.002","90","","3114.11","0.13","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 51, Tricycle bis-p-bromophenylamide","","","- C35 H33 Br2 N3 O4 -","- C35 H31 Br2 N3 O4 -","- C140 H124 Br8 N12 O16 -","4","1","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","1.54178","CuKα","","0.0574","0.0445","","","0.1088","0.1144","","","","","","1.062","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026827","16.7047","0.001","10.6314","0.0007","10.7298","0.0007","90","","112.237","0.002","90","","1763.8","0.2","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","Compound 53, tetracycle","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","1.54178","CuKα","","0.0299","0.0299","","","0.0845","0.0845","","","","","","1.054","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026828","20.283","0.0009","11.0569","0.0008","7.3888","0.0004","90","","100.988","0.003","90","","1626.69","0.16","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 N2 -","- C24 H10 N2 -","- C96 H40 N8 -","4","0.5","","Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek","Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library","Journal of Organic Chemistry","2012","77","","126","142","10.1021/jo201595s","","","0.71073","MoKα","","0.0651","0.0435","","","0.1126","0.1381","","","","","","1.099","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026829","7.9834","0.0004","19.6905","0.0008","11.172","0.0004","90","","113.113","0.003","90","","1615.24","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 N2 -","- C24 H10 N2 -","- C96 H40 N8 -","4","1","","Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek","Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library","Journal of Organic Chemistry","2012","77","","126","142","10.1021/jo201595s","","","0.71073","MoKα","","0.0878","0.0526","","","0.1268","0.1524","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026830","6.9562","0.001","6.9956","0.001","34.129","0.005","90","","90","","90","","1660.8","0.4","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N3 O6 P -","- C15 H20 N3 O6 P -","- C60 H80 N12 O24 P4 -","4","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0715","0.0505","","","0.0969","0.1045","","","","","","0.903","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026831","8.2341","0.0009","8.3291","0.0009","12.9089","0.0014","90","","104.66","0.002","90","","856.5","0.16","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C30 H32 N10 O8 P2 -","2","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0781","0.0514","","","0.1054","0.1182","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026832","5.7894","0.0015","43.207","0.011","6.81","0.0018","90","","112.184","0.004","90","","1577.4","0.7","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C60 H64 N20 O16 P4 -","4","2","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.1105","0.0498","","","0.0554","0.0657","","","","","","0.733","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026833","12.7315","0.0016","7.0769","0.0009","13.982","0.0018","90","","93.502","0.002","90","","1257.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","BI2","'BI2' ?","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C58 H68 N4 O6 S2 -","2","1","","Yongda Zhang; Sampada Chitale; Navneet Goyal; Guisheng Li; Zhengxu S. Han; Sherry Shen; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Asymmetric Synthesis of Sulfinamides Using (-)-Quinine as Chiral Auxiliary","Journal of Organic Chemistry","2012","77","","690","695","10.1021/jo201825b","","","0.71073","MoKα","","0.1219","0.0685","","","0.1284","0.1483","","","","","","1.035","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026834","10.7148","0.0006","20.2974","0.0008","7.5927","0.0004","90","","104.928","0.007","90","","1595.55","0.15","220","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N4 O2 S -","- C14 H17 Cl N4 O2 S -","- C56 H68 Cl4 N16 O8 S4 -","4","1","","Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds","Journal of Organic Chemistry","2012","77","","243","252","10.1021/jo201834d","","","0.71073","MoKα","","","0.031","","","","0.031","","","","","","1.13","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026835","7.4207","0.0005","17.8547","0.0009","11.9918","0.0009","90","","100.761","0.008","90","","1560.91","0.18","150","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N4 O2 S -","- C14 H17 Cl N4 O2 S -","- C56 H68 Cl4 N16 O8 S4 -","4","1","","Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds","Journal of Organic Chemistry","2012","77","","243","252","10.1021/jo201834d","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.28","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026836","10.0851","0.0004","10.1437","0.0003","15.5003","0.0007","71.158","0.004","71.357","0.004","87.168","0.003","1419.4","0.11","297","2","297","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","2","","Leire Arias; Yosu Vara; Fernando P. Cossío","Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones","Journal of Organic Chemistry","2012","77","","266","275","10.1021/jo201841y","","x-ray","0.71073","MoKα","","0.1208","0.0535","","","0.1104","0.1309","","","","","","0.851","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026837","7.2747","0.0005","8.8758","0.0005","11.9601","0.0009","109.342","0.006","105.211","0.006","92.871","0.005","695.13","0.09","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Leire Arias; Yosu Vara; Fernando P. Cossío","Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones","Journal of Organic Chemistry","2012","77","","266","275","10.1021/jo201841y","","x-ray","0.71073","MoKα","","0.0537","0.0413","","","0.1059","0.1109","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026838","10.432","0.002","10.465","0.0019","11.533","0.002","90.692","0.004","108.767","0.003","106.266","0.004","1137.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N2 O4 -","- C26 H21 Cl N2 O4 -","- C52 H42 Cl2 N4 O8 -","2","1","","Yi-Bo Nie; Long Wang; Ming-Wu Ding","Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles by a Sequential Aza-Wittig/Michael/Isomerization Reaction","Journal of Organic Chemistry","2012","77","","696","700","10.1021/jo201846w","","","0.71073","MoKα","","0.0856","0.0585","","","0.1144","0.1258","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026839","24.35","0.009","4.8391","0.0019","19.731","0.008","90","","109.888","0.006","90","","2186.3","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","1","","Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang","Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR","Journal of Organic Chemistry","2012","77","","285","290","10.1021/jo201890f","","","0.71073","MoKα","","0.0461","0.0436","","","0.1205","0.1231","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026840","16.301","0.01","4.863","0.003","13.818","0.008","90","","101.652","0.009","90","","1072.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang","Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR","Journal of Organic Chemistry","2012","77","","285","290","10.1021/jo201890f","","","0.71073","MoKα","","0.11","0.0679","","","0.1644","0.1784","","","","","","0.89","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026841","6.959","0.0015","17.159","0.003","19.174","0.004","90","","90","","90","","2289.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl2 N2 O4 -","- C23 H24 Cl2 N2 O4 -","- C92 H96 Cl8 N8 O16 -","4","1","","Xianyou Peng; Peijun Li; Yian Shi","Synthesis of (+)-Ambrisentan via Chiral Ketone-Catalyzed Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","701","703","10.1021/jo201927m","","","0.71073","MoKα","","0.0817","0.069","","","0.1113","0.118","","","","","","1.119","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026842","27.8608","0.0008","27.8608","0.0008","16.1433","0.0011","90","","90","","120","","10852","0.9","100","2","100","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0557","0.047","","","0.1271","0.1366","","","","","","1.057","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026843","10.3497","0.0001","18.0455","0.0002","28.4735","0.0003","90","","96.591","0.001","90","","5282.72","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H80 O -","- C68 H80 O -","- C272 H320 O4 -","4","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.1079","0.0684","","","0.1909","0.2147","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026844","24.3175","0.0005","22.5604","0.0005","27.6744","0.0006","90","","90","","90","","15182.5","0.6","99","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Diethyl ether)tris(tetrahydrofuran)lithium (diethyl ether)lithium tris[(4,4'-bis(1,1- dimethylethyl)biphenyl-2,2'-diyl]zirconate(IV) (diethyl ether) hemisolvate","","","- C82 H121 Li2 O5.5 Zr -","- C82 H121 Li2 O5.5 Zr -","- C656 H968 Li16 O44 Zr8 -","8","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0782","0.05","","","0.1292","0.1428","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026845","14.406","0.0006","15.0572","0.0006","15.9486","0.0006","72.458","0.003","77.005","0.003","78.846","0.003","3184.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,7,12,17,22,17-Hexakis(1,1-dimethylethyl)hexabenzo[a,c,k,m,u,w] trinaphthylene 1,2-dibromobenzene solvate","","- C84 H82 Br2 -","- C84 H82 Br2 -","- C168 H164 Br4 -","2","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.1985","0.0841","","","0.1999","0.2378","","","","","","0.988","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026846","8.9649","0.0006","10.4999","0.0007","27.225","0.002","90","","90","","90","","2562.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N O P Pd -","- C27 H30 Cl2 N O P Pd -","- C108 H120 Cl8 N4 O4 P4 Pd4 -","4","1","","Étienne Bélanger; Marie-France Pouliot; Marc-André Courtemanche; Jean-François Paquin","Design, Synthesis, and Applications of Potential Substitutes of t-Bu-Phosphinooxazoline in Pd-Catalyzed Asymmetric Transformations and Their Use for the Improvement of the Enantioselectivity in the Pd-Catalyzed Allylation Reaction of Fluorinated Allyl Enol Carbonates","Journal of Organic Chemistry","2012","77","","317","331","10.1021/jo2019653","","","1.54178","CuKα","","0.0164","0.0164","","","0.0451","0.0451","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026847","16.6382","0.0016","13.2364","0.0014","15.3904","0.0016","90","","97.49","0.002","90","","3360.5","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C160 H160 S16 -","8","2","","Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko","Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes","Journal of Organic Chemistry","2012","77","","332","340","10.1021/jo201966g","","","0.71073","MoKα","","0.0635","0.0448","","","0.1183","0.1283","","","","","","0.993","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026848","8.3268","0.0008","13.2672","0.0011","15.4463","0.0013","90","","97.4242","0.0017","90","","1692.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C80 H80 S8 -","4","1","","Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko","Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes","Journal of Organic Chemistry","2012","77","","332","340","10.1021/jo201966g","","","0.71073","MoKα","","0.0512","0.0407","","","0.1137","0.1254","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026849","7.0911","0.0008","10.8032","0.0012","34.798","0.005","90","","90","","90","","2665.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N O9 S2 -","- C27 H29 N O9 S2 -","- C108 H116 N4 O36 S8 -","4","1","","Wen-Ju Bai; Jason C. Green; Thomas R. R. Pettus","Total Syntheses of ent-Heliespirones A and C","Journal of Organic Chemistry","2012","77","","379","387","10.1021/jo201971g","","","0.71073","MoKα","","0.038","0.0363","","","0.0911","0.092","","","","","","1.09","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026850","7.0653","0.0003","8.3781","0.0003","12.8601","0.0005","90","","105.228","0.001","90","","734.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C30 H38 N2 O10 -","2","1","","Shanbao Yu; Qing-Qing Huang; Yu Luo; Wei Lu","Total Synthesis of Camptothecin and SN-38","Journal of Organic Chemistry","2012","77","","713","717","10.1021/jo201974f","","","0.71073","MoKα","","0.0258","0.025","","","0.0643","0.0651","","","","","","1.046","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026851","7.7761","0.0001","11.0405","0.0002","39.4167","0.0007","90","","90","","90","","3384","0.1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O6 Si -","- C37 H48 O6 Si -","- C148 H192 O24 Si4 -","4","1","","Sanjay S. Palimkar; Jun'ichi Uenishi; Hiromi Ii","Total Synthesis and Biological Evaluation of (-)-Apicularen A and Its Analogues","Journal of Organic Chemistry","2012","77","","388","399","10.1021/jo2019762","","","1.54187","CuKα","","","0.0575","","","","0.1431","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026852","9.713","0.0012","14.82","0.0014","11.4273","0.0014","90","","108.803","0.014","90","","1557.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 Se -","- C18 H18 O2 Se -","- C72 H72 O8 Se4 -","4","1","","Badaker M. Laloo; Hormi Mecadon; Md. Rumum Rohman; Iadeishisha Kharbangar; Icydora Kharkongor; Mantu Rajbangshi; Rishanlang Nongkhlaw; Bekington Myrboh","Reaction of Selenium Dioxide with Aromatic Ketones in the Presence of Boron Triflouride Etherate: A Protocol for the Synthesis of Triarylethanones","Journal of Organic Chemistry","2012","77","","707","712","10.1021/jo201985n","","","0.71073","MoKα","","0.0283","0.0201","","","0.0511","0.052","","","","","","1.016","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026853","9.5556","0.0001","13.4123","0.0002","14.4803","0.0003","90","","107.654","0.0007","90","","1768.43","0.05","90","","90","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H25 Al O -","- C20 H25 Al O -","- C80 H100 Al4 O4 -","4","2","","Kengo Yoshida; Taniyuki Furuyama; Chao Wang; Atsuya Muranaka; Daisuke Hashizume; Shuji Yasuike; Masanobu Uchiyama","Aluminepin: Aluminum Analogues of Borepin and Gallepin","Journal of Organic Chemistry","2012","77","","729","732","10.1021/jo201992q","","","0.71073","MoKα","","0.0687","0.0634","","","0.1939","0.1994","","","","","","1.103","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026854","26.5365","0.0006","32.739","0.0008","17.4054","0.0004","90","","98.344","0.001","90","","14961.4","0.6","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O12 -","- C36 H24 O12 -","- C576 H384 O192 -","16","4","","Miroslav Dudič; Ivana Císařová; Josef Michl","Synthesis of Hexadehydrotribenzo[a,e,i][12]annulenes by Acetylene Insertion into an Open-Chain Precursor","Journal of Organic Chemistry","2012","77","","68","74","10.1021/jo202016v","","","0.71073","MoKα","","0.1079","0.0543","","","0.147","0.1672","","","","","","0.885","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4026855","5.7182","0.0005","5.9604","0.0006","8.6336","0.0007","96.773","0.007","92.481","0.007","99.717","0.008","287.41","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O -","- C16 H16 O -","- C16 H16 O -","1","0.5","","Prasad Ganji; Hasim Ibrahim","Deoxygenation of Hydroquinones as a General Route to Norbornane-Fused Aromatic Systems: An Entry into Substituted and Functionalized Dimethano- and Methanoanthracenes","Journal of Organic Chemistry","2012","77","","511","518","10.1021/jo202023w","","","1.54184","CuKα","","0.0415","0.0385","","","0.0966","0.0993","","","","","","1.035","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026856","10.668","0.01","7.081","0.007","22.36","0.02","90","","93.847","0.013","90","","1685","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl N2 -","- C22 H15 Cl N2 -","- C88 H60 Cl4 N8 -","4","1","","Shaukat Ali; Ying-Xiu Li; Saeed Anwar; Fang Yang; Zi-Sheng Chen; Yong-Min Liang","One-Pot Access to Indolo[2,3-b]quinolines by Electrophile-Triggered Cross-Amination/Friedel-Crafts Alkylation of Indoles with 1-(2-Tosylaminophenyl)ketones","Journal of Organic Chemistry","2012","77","","424","431","10.1021/jo202035p","","","0.71073","MoKα","","0.1266","0.0783","","","0.1925","0.2213","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026857","11.1092","0.0011","12.5174","0.0011","16.9785","0.0016","74.609","0.008","73.57","0.009","78.747","0.008","2164.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 O8 -","- C50 H55 O8 -","- C100 H110 O16 -","2","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.2228","0.113","","","0.2631","0.3049","","","","","","0.891","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026858","7.2962","0.0004","9.4","0.0004","16.2416","0.0008","85.924","0.004","84.034","0.004","72.977","0.004","1058.38","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 O8 -","- C50 H56 O8 -","- C50 H56 O8 -","1","0.5","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0621","0.0482","","","0.1309","0.137","","","","","","1.101","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026859","7.2615","0.0009","23.068","0.003","25.8","0.002","90","","90","","90","","4321.7","0.8","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C200 H224 O32 -","8","0.5","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0578","0.0432","","","0.1049","0.1104","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026860","9.4735","0.0017","19.451","0.003","11.74","0.002","90","","104.73","0.02","90","","2092.2","0.6","150","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.1328","0.0532","","","0.1345","0.1563","","","","","","0.803","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026861","9.4276","0.0002","17.4034","0.0004","24.8191","0.0007","90","","97.203","0.002","90","","4039.99","0.17","150","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 -","- C54 H44 O4 -","- C216 H176 O16 -","4","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0577","0.0336","","","0.0679","0.0719","","","","","","0.875","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026862","12.4209","0.0013","5.64","0.0007","14.3079","0.0016","90","","96.562","0.008","90","","995.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C46 H50 Cl2 O8 -","2","1","","Jacqueline Jiménez; Aitor Landa; Aitziber Lizarraga; Miguel Maestro; Antonia Mielgo; Mikel Oiarbide; Irene Velilla; Claudio Palomo","Enantio- and Diastereoselective Organocatalytic α-Alkylation of Aldehydes with 3-Substituted 2-(Bromomethyl)acrylates","Journal of Organic Chemistry","2012","77","","747","753","10.1021/jo202073n","","","0.71073","MoKα","","0.106","0.0512","","","0.093","0.124","","","","","","0.905","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026863","30.4865","0.0006","30.4865","0.0006","12.0383","0.0004","90","","90","","120","","9689.7","0.4","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C41 H51.17 N5 O14.33 P2.5 -","- C41 H41 N5 O14.3333 P2.5 -","- C369 H369 N45 O129 P22.5 -","9","1","","Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar","Fluorescent Acridine-Based Receptors for H2PO4-","Journal of Organic Chemistry","2012","77","","490","500","10.1021/jo202077v","","","0.71073","MoKα","","0.1238","0.0868","","","0.2318","0.2622","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026864","10.2834","0.0009","7.4809","0.0006","10.1672","0.0008","90","","110.478","0.01","90","","732.73","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(pinacolate)diborane(4)","4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl-4',4',5', 5'-tetramethyl-1',3',2'-dioxaborolane","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.0455","0.0399","","","0.1111","0.1194","","","","","","1.03","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026865","10.3682","0.0003","16.4505","0.0005","19.7145","0.0007","90","","91.028","0.001","90","","3362","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 B2 N2 O4 -","- C34 H56 B2 N2 O4 -","- C136 H224 B8 N8 O16 -","4","1","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.0701","0.0411","","","0.0932","0.1052","","","","","","1.017","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026866","16.6584","0.0004","10.492","0.0002","19.4579","0.0004","90","","112.753","0.001","90","","3136.2","0.12","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","tetra(n-butyl)phosphonium bis(1,1,2,2-tetramethyl-1,2-diolato)borate","","- C28 H60 B O4 P -","- C28 H60 B O4 P -","- C112 H240 B4 O16 P4 -","4","1","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.06","0.0408","","","0.0952","0.1077","","","","","","1.005","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026867","5.8808","0.0002","11.1665","0.0002","21.9865","0.0006","90","","90","","90","","1443.81","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jennifer Peed; Iwan R. Davies; Lucy R. Peacock; James E. Taylor; Gabriele Kociok-Köhn; Steven D. Bull","Dihydroxylation-Based Approach for the Asymmetric Syntheses of Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2012","77","","543","555","10.1021/jo2021289","","","0.71073","MoKα","","0.0555","0.0408","","","0.0915","0.0981","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026868","23.18","0.03","5.353","0.006","12.036","0.013","90","","90.93","0.03","90","","1493","3","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Christopher J. Bartlett; David P. Day; Yohan Chan; Steven M. Allin; Michael J. McKenzie; Alexandra M. Z. Slawin; Philip C. Bulman Page","Enantioselective Total Synthesis of (+)-Scuteflorin A Using Organocatalytic Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","772","774","10.1021/jo2021407","","","0.71073","MoKα","","0.2189","0.1817","","","0.4014","0.4379","","","","","","1.187","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026869","9.5539","0.0002","11.8301","0.0002","22.8098","0.0006","90","","90","","90","","2578.05","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O3 S2 -","- C27 H23 Br N2 O3 S2 -","- C108 H92 Br4 N8 O12 S8 -","4","1","","Alma Viso; Roberto Fernández de la Pradilla; Mercedes Ureña; Robert H. Bates; Miguel A. del Águila; Ignacio Colomer","An Approach to the Stereoselective Synthesis of Enantiopure Dihydropyrroles and Aziridines from a Common Sulfinyl-Sulfinamide Intermediate","Journal of Organic Chemistry","2012","77","","525","542","10.1021/jo202144k","","","1.54178","CuKα","","0.0238","0.0235","","","0.0592","0.0595","","","","","","1.081","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026870","8.9673","0.0002","18.5999","0.0004","24.5171","0.0006","90","","90","","90","","4089.23","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C176 H288 O32 -","16","2","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0624","0.0425","","","0.1153","0.1473","","","","","","1.055","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026871","6.5778","0.0009","9.9611","0.0014","16.789","0.002","85.436","0.007","84.148","0.007","83.784","0.006","1085.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C42 H68 O8 Si2 -","2","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.1563","0.084","","","0.2162","0.2588","","","","","","1.027","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026872","6.8505","0.0004","9.2832","0.0005","18.4577","0.0011","77.288","0.001","84.422","0.001","84.451","0.001","1136.18","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 O4 Si -","- C22 H38 O4 Si -","- C44 H76 O8 Si2 -","2","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0368","0.031","","","0.0862","0.0966","","","","","","1.11","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026873","19.8762","0.0005","19.8762","0.0005","10.665","0.0006","90","","90","","90","","4213.4","0.3","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H23 Cl3 O4 -","- C16 H23 Cl3 O4 -","- C128 H184 Cl24 O32 -","8","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.1132","0.0596","","","0.1635","0.192","","","","","","1.01","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026874","8.402","0.003","11.908","0.004","13.721","0.004","90","","114.964","0.018","90","","1244.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N4 O4 -","- C12 H16 N4 O4 -","- C48 H64 N16 O16 -","4","1","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0498","0.0403","","","0.0741","0.0754","","","","","","2.366","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026875","12.4218","0.0007","11.3954","0.0007","8.1359","0.0005","90","","90","","90","","1151.65","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0395","0.0374","","","0.1023","0.1042","","","","","","1.058","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026876","10.0897","0.0008","10.5987","0.0009","6.5148","0.0005","90","","90","","90","","696.68","0.1","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C13 H18 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0449","0.0433","","","0.1289","0.132","","","","","","0.81","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026877","20.2298","0.0008","33.2253","0.0011","29.4252","0.001","90","","95.186","0.002","90","","19696.9","1.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C135 H258 Cl6 K6 N60 O87 -","- C135 H148 Cl6 K6 N60 O87 -","- C540 H592 Cl24 K24 N240 O348 -","4","1","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.1498","0.087","","","0.2507","0.2885","","","","","","1.052","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026878","12.6912","0.0005","12.5739","0.0005","23.0762","0.001","90","","98.67","0.002","90","","3640.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C116 H208 N48 O61 -","- C116 H208 N48 O61 -","- C116 H208 N48 O61 -","1","0.25","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0882","0.0655","","","0.1769","0.1948","","","","","","1.058","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026879","9.0544","0.0005","9.442","0.0006","11.9252","0.0008","92.914","0.005","101.077","0.005","108.534","0.005","941.73","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 F18 N4 O -","- C12 H4 F18 N4 O -","- C24 H8 F36 N8 O2 -","2","1","","Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk","""Reported, but Still Unknown."" A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles","Journal of Organic Chemistry","2012","77","","47","56","10.1021/jo202305c","","","0.71073","MoKα","","0.0814","0.0401","","","0.0865","0.0926","","","","","","0.814","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026880","16.463","0.0005","12.5288","0.0003","21.5826","0.0006","90","","111.568","0.003","90","","4140","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 F6 N2 -","- C5 H2 F6 N2 -","- C120 H48 F144 N48 -","24","6","","Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk","""Reported, but Still Unknown."" A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles","Journal of Organic Chemistry","2012","77","","47","56","10.1021/jo202305c","","","0.71073","MoKα","","0.104","0.0497","","","0.1039","0.1201","","","","","","0.984","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026881","9.4945","0.0019","10.87","0.002","12.264","0.003","90","","111.75","0.03","90","","1175.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br N O -","- C27 H26 Br N O -","- C54 H52 Br2 N2 O2 -","2","1","","Kyoung Hee Kang; Junghwan Do; Yong Sun Park","Asymmetric Synthesis oftrans-2,3-Disubstituted Indoline Derivatives","Journal of Organic Chemistry","2012","77","","808","812","10.1021/jo2023526","","","0.71073","MoKα","","0.0836","0.0466","","","0.1105","0.1485","","","","","","1.073","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026882","7.8863","0.0002","23.7456","0.0005","9.0571","0.0002","90","","97.213","0.003","90","","1682.65","0.07","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Jens Cordes; Frederick Calo; Katie Anderson; Toni Pfaffeneder; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett","Total Syntheses of Angelicoin A, Hericenone J, and Hericenol A via Migratory Prenyl- and Geranylation-Aromatization Sequences","Journal of Organic Chemistry","2012","77","","652","657","10.1021/jo202354j","","","0.71073","MoKα","","0.0689","0.0502","","","0.127","0.1367","","","","","","1.055","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026883","25.4291","0.0008","10.2386","0.0003","20.0586","0.0007","90","","91.039","0.001","90","","5221.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Fe N2 O4 -","- C33 H22 Fe N2 O4 -","- C264 H176 Fe8 N16 O32 -","8","2","","Li-Jun Chen; Quan-Jie Li; Jiuming He; Hongwei Tan; Zeper Abliz; Hai-Bo Yang","Design and Construction of Endo-Functionalized Multiferrocenyl Hexagons via Coordination-Driven Self-Assembly and Their Electrochemistry","Journal of Organic Chemistry","2012","77","","1148","1153","10.1021/jo201979d","","","0.71073","MoKα","","0.0331","0.0285","","","0.0732","0.0765","","","","","","1.047","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026884","8.009","0.014","11.045","0.019","11.59","0.02","113.247","0.018","105.854","0.018","97.89","0.018","871","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Br N2 O3 -","- C19 H11 Br N2 O3 -","- C38 H22 Br2 N4 O6 -","2","1","","Gen Zhang; Yaohu Zhang; Jiexi Yan; Ru Chen; Shoulei Wang; Yunxia Ma; Rui Wang","One-Pot Enantioselective Synthesis of Functionalized Pyranocoumarins and 2-Amino-4H-chromenes: Discovery of a Type of Potent Antibacterial Agent","Journal of Organic Chemistry","2012","77","","878","888","10.1021/jo202020m","","","0.71073","MoKα","","0.0953","0.0459","","","0.0921","0.1079","","","","","","1.014","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026885","16.2504","0.0018","12.0239","0.0013","18.9598","0.0015","90","","124.038","0.006","90","","3069.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Br N4 O2 S -","- C35 H33 Br N4 O2 S -","- C140 H132 Br4 N16 O8 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.0805","0.0464","","","0.124","0.1485","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026886","9.654","0.004","12.011","0.005","15.321","0.006","101.696","0.005","90.916","0.006","100.475","0.006","1708.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 N6 O4 S -","- C37 H36 N6 O4 S -","- C74 H72 N12 O8 S2 -","2","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.1207","0.07","","","0.1974","0.2377","","","","","","1.066","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026887","16.253","0.003","12.018","0.002","16.937","0.003","90","","110.58","0.03","90","","3097.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N4 O3 S -","- C36 H36 N4 O3 S -","- C144 H144 N16 O12 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.0625","0.0554","","","0.1476","0.1564","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026888","12.412","0.003","16.298","0.003","17.833","0.004","90","","91.209","0.003","90","","3606.6","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cl3 Fe N4 O3 S -","- C36 H36 Cl3 Fe N4 O3 S -","- C144 H144 Cl12 Fe4 N16 O12 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.1703","0.0847","","","0.2284","0.2916","","","","","","1.045","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026889","10.6629","0.0011","11.7766","0.0012","15.3061","0.0016","90","","105.025","0.001","90","","1856.3","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O7 -","- C19 H25 N O7 -","- C76 H100 N4 O28 -","4","1","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","0.71073","MoKα","","0.0638","0.0445","","","0.113","0.1245","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026890","9.3754","0.0018","11.161","0.002","11.962","0.002","90","","105.572","0.002","90","","1205.7","0.4","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","0.71073","MoKα","","0.0429","0.0362","","","0.0929","0.098","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026891","13.9836","0.0003","8.2614","0.00015","17.967","0.0004","90","","99.302","0.007","90","","2048.33","0.08","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","1.54187","CuKα","","","0.036","","","","0.0987","","","","","","1.041","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026892","11.606","0.0002","18.287","0.0002","7.1396","0.0001","90","","103.762","0.002","90","","1471.8","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(6-bromo-2-methoxynaphthalen-1-yl)isochroman","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Soo J. Park; Jason R. Price; Matthew H. Todd","Oxidative Arylation of Isochroman","Journal of Organic Chemistry","2012","77","","949","955","10.1021/jo2021373","","","0.71073","MoKα","","0.0397","0.0361","","","0.0915","0.0943","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026893","9.7507","0.0002","10.7237","0.0003","24.61","0.0005","96.602","0.0019","96.2797","0.0019","107.296","0.002","2412.53","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(4-methoxynaphthalen-1-yl)isochroman","","- C20 H17 Br O2 -","- C20 H17 Br O2 -","- C120 H102 Br6 O12 -","6","3","","Soo J. Park; Jason R. Price; Matthew H. Todd","Oxidative Arylation of Isochroman","Journal of Organic Chemistry","2012","77","","949","955","10.1021/jo2021373","","","1.54184","CuKα","","0.0285","0.0272","","","0.0741","0.0754","","","","","","1.043","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026894","8.4371","0.0003","8.7423","0.0003","14.5956","0.0007","105.766","0.003","98.497","0.004","99.551","0.003","1000.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol","","- C17 H25 N5 O3 S -","- C17 H25 N5 O3 S -","- C34 H50 N10 O6 S2 -","2","1","","Orazio A. Attanasi; Silvia Bartoccini; Gianfranco Favi; Gianluca Giorgi; Francesca Romana Perrulli; Stefania Santeusanio","Powerful Approach to Heterocyclic Skeletal Diversity by Sequential Three-Component Reaction of Amines, Isothiocyanates, and 1,2-Diaza-1,3-dienes","Journal of Organic Chemistry","2012","77","","1161","1167","10.1021/jo2021949","","","0.71073","MoKα","","0.0655","0.0429","","","0.1175","0.1247","","","","","","1.006","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026895","8.3746","0.001","5.691","0.0007","15.6697","0.0018","90","","101.539","0.003","90","","731.72","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 Br O2 -","- C19 H13 Br O2 -","- C38 H26 Br2 O4 -","2","1","","Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung","An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids","Journal of Organic Chemistry","2012","77","","999","1009","10.1021/jo202221c","","","0.71073","MoKα","","0.0326","0.0308","","","0.0734","0.075","","","","","","1.016","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026896","10.0497","0.0011","9.862","0.0011","23.217","0.003","90","","96.068","0.003","90","","2288.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung","An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids","Journal of Organic Chemistry","2012","77","","999","1009","10.1021/jo202221c","","","0.71073","MoKα","","0.0793","0.0641","","","0.1423","0.1498","","","","","","1.122","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026897","11.9253","0.0007","20.4021","0.0012","13.345","0.0008","90","","90.039","0.005","90","","3246.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C152 H216 N16 O8 -","4","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.091","0.037","","","0.0554","0.0595","","","","","","0.719","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026898","10.1677","0.0004","11.5098","0.0005","14.9251","0.0006","89.064","0.003","80.717","0.003","83.191","0.003","1711.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 N6 O2 -","- C40 H52 N6 O2 -","- C80 H104 N12 O4 -","2","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.0596","0.04","","","0.1014","0.1053","","","","","","1.049","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026899","17.9478","0.0003","20.838","0.0004","10.6397","0.0002","90","","90","","90","","3979.21","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42.25 H63.5 Cl N4 O0.75 -","- C42.25 H63.5 Cl N4 O0.75 -","- C169 H254 Cl4 N16 O3 -","4","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.0661","0.0589","","","0.1713","0.1749","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026900","12.5909","0.0005","16.0545","0.0006","16.6187","0.0006","81.534","0.003","74.721","0.003","80.6","0.003","3177.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H98 Cl6 N8 O4 -","- C66 H98 Cl6 N8 O4 -","- C132 H196 Cl12 N16 O8 -","2","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.1119","0.0638","","","0.1756","0.188","","","","","","0.915","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026901","6.702","0.0018","16.936","0.004","13.275","0.004","90","","90.508","0.006","90","","1506.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F2 N O3 -","- C16 H21 F2 N O3 -","- C64 H84 F8 N4 O12 -","4","1","","Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh","Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2","Journal of Organic Chemistry","2012","77","","991","998","10.1021/jo2022845","","","0.71073","MoKα","","0.1157","0.0584","","","0.0899","0.1049","","","","","","0.93","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026902","11.428","0.003","24.352","0.006","10.474","0.002","90","","90","","90","","2914.9","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H19 F2 N O3 -","- C15 H19 F2 N O3 -","- C120 H152 F16 N8 O24 -","8","1","","Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh","Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2","Journal of Organic Chemistry","2012","77","","991","998","10.1021/jo2022845","","","0.71073","MoKα","","0.0658","0.0498","","","0.1134","0.1194","","","","","","1.149","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026903","12.6177","0.0007","14.0998","0.0008","20.0716","0.001","85.747","0.003","89.306","0.003","69.962","0.003","3345.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","4","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","1.54178","CuKα","","0.063","0.0467","","","0.1162","0.1269","","","","","","1.031","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026904","5.5789","0.0003","11.6219","0.0006","13.0202","0.0006","94.998","0.003","92.49","0.003","98.515","0.003","830.35","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C36 H60 O6 -","2","1","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","1.54178","CuKα","","0.0577","0.0508","","","0.1325","0.1398","","","","","","1.037","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026905","12.4712","0.0003","12.558","0.0003","15.8397","0.0004","90","","96.244","0.001","90","","2465.99","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br2 N2 O3 -","- C26 H26 Br2 N2 O3 -","- C104 H104 Br8 N8 O12 -","4","1","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","0.71073","MoKα","","0.0642","0.0398","","","0.0945","0.1043","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026906","7.9944","0.0011","6.2207","0.0009","14.801","0.002","90","","103.384","0.002","90","","716.07","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C32 H24 Br2 N2 O6 -","2","1","","Liang-Qiu Lu; Zhi-Hui Ming; Jing An; Chao Li; Jia-Rong Chen; Wen-Jing Xiao","Enantioselective Cascade Reactions of Stable Sulfur Ylides and Nitroolefins through an Axial-to-Central Chirality Transfer Strategy","Journal of Organic Chemistry","2012","77","","1072","1080","10.1021/jo202324f","","","0.71073","MoKα","","0.0527","0.0404","","","0.0959","0.1016","","","","","","1.018","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026907","7.5","0.0015","10.077","0.002","12.947","0.003","73.78","0.03","84.08","0.03","80.89","0.03","925.9","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","12-(4-Chlorobenzoyl)-2-methylbenzo[f]pyrido[1,2-a]indole-6, 11-dione","","- C24 H14 Cl N O3 -","- C24 H14 Cl N O3 -","- C48 H28 Cl2 N2 O6 -","2","1","","Yun Liu; Jin-Wei Sun","Copper(II)-Catalyzed Synthesis of Benzo[f]pyrido[1,2-a]indole-6,11-dione Derivatives via Naphthoquinone Difunctionalization Reaction","Journal of Organic Chemistry","2012","77","","1191","1197","10.1021/jo2023312","","","0.71073","MoKα","","0.0784","0.0489","","","0.1131","0.1237","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026908","10.6924","0.0007","12.4945","0.0008","18.4352","0.0012","102.594","0.0007","96.5551","0.0008","96.1075","0.0007","2365.9","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H63 Cl2 F3 N3 O4 P Pd S -","- C47 H63 Cl2 F3 N3 O4 P Pd S -","- C94 H126 Cl4 F6 N6 O8 P2 Pd2 S2 -","2","1","","Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos","Journal of Organic Chemistry","2012","77","","1056","1071","10.1021/jo202358p","","","0.71073","MoKα","","0.0327","0.0308","","","0.0843","0.0888","","","","","","1.066","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026909","10.2665","0.0006","11.0209","0.0006","12.1446","0.0007","67.6814","0.0007","81.459","0.0007","79.9256","0.0007","1246.48","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N O P -","- C30 H42 N O P -","- C60 H84 N2 O2 P2 -","2","1","","Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos","Journal of Organic Chemistry","2012","77","","1056","1071","10.1021/jo202358p","","","0.71073","MoKα","","0.0542","0.0437","","","0.116","0.1232","","","","","","1.042","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026910","30.931","0.006","7.4285","0.0013","14.506","0.003","90","","113.436","0.002","90","","3058.1","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N4 O2 -","- C16 H13 Cl N4 O2 -","- C128 H104 Cl8 N32 O16 -","8","1","","Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter","Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes","Journal of Organic Chemistry","2012","77","","1101","1112","10.1021/jo202467k","","","0.71073","MoKα","","0.0709","0.0505","","","0.1203","0.1331","","","","","","1.001","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026911","9.3017","0.0007","9.7642","0.0007","21.914","0.0016","90","","92.503","0.001","90","","1988.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C92 H72 N16 O16 -","4","1","","Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter","Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes","Journal of Organic Chemistry","2012","77","","1101","1112","10.1021/jo202467k","","","0.71073","MoKα","","0.0439","0.0373","","","0.095","0.1003","","","","","","1.027","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026912","23.192","0.005","9.251","0.0019","21.285","0.004","90","","112.12","0.03","90","","4230.6","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H30 O2 -","- C26.5 H30 O2 -","- C212 H240 O16 -","8","2","","Sarah J. Ryan; Andreas Stasch; Michael N. Paddon-Row; David W. Lupton","Synthetic and Quantum Mechanical Studies into theN-Heterocyclic Carbene Catalyzed (4 + 2) Cycloaddition","Journal of Organic Chemistry","2012","77","","1113","1124","10.1021/jo202500k","","","0.7107","Synchrotron","","0.0621","0.0482","","","0.1221","0.1327","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026913","18.913","0.011","6.478","0.004","22.834","0.013","90","","110.889","0.007","90","","2614","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H34 N2 O2 S -","- C27 H34 N2 O2 S -","- C108 H136 N8 O8 S4 -","4","1","","Zhihua Liu; Sukeshi J. Mehta; Kwang-Soo Lee; Bryan Grossman; Hongchang Qu; Xuyuan Gu; Gary S. Nichol; Victor J. Hruby","Thio-Claisen Rearrangement Used in Preparing Anti-β-Functionalized γ,δ-Unsaturated Amino Acids: Scope and Limitations","Journal of Organic Chemistry","2012","77","","1289","1300","10.1021/jo201753q","","","0.71073","MoKα","","0.1276","0.066","","","0.1528","0.1939","","","","","","1.005","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026914","16.2577","0.0012","10.796","0.0009","7.2438","0.0006","90","","93.455","0.008","90","","1269.11","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F3 N3 O2 -","- C13 H10 F3 N3 O2 -","- C52 H40 F12 N12 O8 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0416","0.0387","","","0.1028","0.1046","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026915","7.1571","0.0004","8.4227","0.0004","13.3083","0.0008","98.186","0.005","100.888","0.005","96.356","0.004","771.93","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br F3 N O5 -","- C13 H13 Br F3 N O5 -","- C26 H26 Br2 F6 N2 O10 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0288","0.028","","","0.0744","0.0748","","","","","","1.062","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026916","9.2599","0.0013","9.4971","0.0015","9.9419","0.0016","70.159","0.015","62.394","0.015","83.144","0.013","728","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Br F3 N O4 -","- C13 H11 Br F3 N O4 -","- C26 H22 Br2 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.0535","0.052","","","0.1478","0.1512","","","","","","1.097","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026917","9.5898","0.0011","15.653","0.0015","11.0541","0.0013","90","","115.637","0.014","90","","1496","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F3 N O5 -","- C14 H14 F3 N O5 -","- C56 H56 F12 N4 O20 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.0406","0.0355","","","0.0888","0.093","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026918","4.499","0.002","11.188","0.006","13.464","0.012","91.14","0.08","97.51","0.07","90.08","0.04","671.8","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C28 H24 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.1224","0.1029","","","0.3198","0.3727","","","","","","1.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026919","11.6332","0.0004","7.956","0.0002","15.6028","0.0004","90","","111.752","0.004","90","","1341.27","0.08","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br F3 N O3 -","- C13 H9 Br F3 N O3 -","- C52 H36 Br4 F12 N4 O12 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.034","0.0326","","","0.0857","0.0863","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026920","7.856","0.0014","8.957","0.002","10.209","0.003","91.807","0.019","98.09","0.018","101.202","0.017","696.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C28 H24 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.1346","0.1165","","","0.3485","0.3692","","","","","","1.491","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026921","21.56","0.0016","14.2595","0.0016","29.844","0.002","90","","107.941","0.008","90","","8728.9","1.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F6 N O2 S -","- C14 H9 F6 N O2 S -","- C336 H216 F144 N24 O48 S24 -","24","3","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0613","0.0533","","","0.1333","0.1386","","","","","","1.08","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026922","12.1098","0.0013","5.6685","0.0005","20.055","0.002","90","","99.927","0.011","90","","1356.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O3 S -","- C13 H12 F3 N O3 S -","- C52 H48 F12 N4 O12 S4 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0376","0.0322","","","0.0803","0.0843","","","","","","1.051","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026923","22.4499","0.0007","11.9982","0.0003","25.5576","0.0008","90","","107.797","0.004","90","","6554.7","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 N6 O10 -","- C72 H90 N6 O10 -","- C288 H360 N24 O40 -","4","1","","Jayaraman Dessingou; Khatija Tabbasum; Atanu Mitra; Vijaya Kumar Hinge; Chebrolu P. Rao","Lower Rim 1,3-Di{4-antipyrine}amide Conjugate of Calix[4]arene: Synthesis, Characterization, and Selective Recognition of Hg2+ and Its Sensitivity toward Pyrimidine Bases","Journal of Organic Chemistry","2012","77","","1406","1413","10.1021/jo2022372","","","0.71073","MoKα","","0.0761","0.046","","","0.0855","0.0988","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026924","8.2737","0.0003","11.8237","0.0004","12.6735","0.0004","72.212","0.002","81.277","0.002","83.828","0.002","1164.4","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N3 O3 S -","- C29 H21 N3 O3 S -","- C58 H42 N6 O6 S2 -","2","1","","Rajendran Suresh; Shanmugam Muthusubramanian; Rajendran Senthilkumaran; Govindaswamy Manickam","SnCl2-Catalyzed Selective Atom Economic Imino Diels-Alder Reaction: Synthesis of 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)quinolines","Journal of Organic Chemistry","2012","77","","1468","1476","10.1021/jo202256z","","","0.71073","MoKα","","0.0688","0.0465","","","0.1309","0.1496","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026925","10.927","0.003","12.053","0.003","16.003","0.004","90","","90","","90","","2107.6","0.9","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0513","0.0369","","","0.0805","0.0877","","","","","","1.036","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026926","11.063","0.003","11.841","0.003","15.632","0.004","106.815","0.013","100.455","0.013","97.499","0.012","1890.9","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H44 O2 -","- C50 H44 O2 -","- C100 H88 O4 -","2","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.1073","0.0629","","","0.1642","0.2039","","","","","","0.951","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026927","12.561","0.01","14.46","0.011","14.835","0.012","90","","90","","90","","2695","4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C38 H30 O3 -","- C38 H30 O3 -","- C152 H120 O12 -","4","0.5","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0831","0.0475","","","0.1051","0.1228","","","","","","1.021","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026928","11.98","0.009","11.128","0.008","12.993","0.01","90","","100.959","0.008","90","","1701","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H33 Cl5 O3 -","- C40 H33 Cl5 O3 -","- C80 H66 Cl10 O6 -","2","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.2018","0.1116","","","0.2812","0.3564","","","","","","0.999","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026929","15.19","0.02","10.119","0.012","34.09","0.04","90","","99.48","0.02","90","","5168","11","296","2","296","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C66 H66 O6 -","- C66 H66 O6 -","- C264 H264 O24 -","4","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.2079","0.0756","","","0.1618","0.2341","","","","","","0.893","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026930","18.0254","0.0006","18.0254","0.0006","11.0413","0.0005","90","","90","","120","","3106.9","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Br3 N6 O6 -","- C71.01 H45 Br3 N6 O6 -","- C142.02 H90 Br6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0508","0.0365","","","0.0912","0.0999","","","","","","1.026","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026931","8.828","0.0002","9.828","0.0002","12.638","0.0003","87.045","0.0012","70.963","0.0013","87.291","0.0014","1034.61","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Cl N2 O2 -","- C26 H19 Cl N2 O2 -","- C52 H38 Cl2 N4 O4 -","2","1","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.032","0.0302","","","0.0788","0.0804","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026932","17.9406","0.0006","17.9406","0.0006","10.8992","0.0005","90","","90","","120","","3038.1","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Cl3 N6 O6 -","- C71.01 H45 Cl3 N6 O6 -","- C142.02 H90 Cl6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0659","0.0532","","","0.1456","0.1577","","","","","","0.969","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026933","17.9054","0.0008","17.9054","0.0008","11.0374","0.0007","90","","90","","120","","3064.5","0.3","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C74 H66 N6 O6 -","- C74.01 H54 N6 O6 -","- C148.02 H108 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0753","0.0557","","","0.1472","0.1611","","","","","","1.024","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026934","17.6734","0.0006","17.6734","0.0006","11.0022","0.0004","90","","90","","120","","2976.12","0.18","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C70.5 H57 Cl3 N6 O6 -","- C69.51 H54 Cl3.03 N6 O6 -","- C139.02 H108 Cl6.06 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0674","0.0424","","","0.0986","0.1125","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026935","11.313","0.0003","6.289","0.0002","17.3747","0.0006","90","","92.826","0.003","90","","1234.66","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O7 -","- C26 H26 N2 O7 -","- C52 H52 N4 O14 -","2","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.088","0.0347","","","0.0474","0.0544","","","","","","0.823","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026936","9.074","0.0003","11.6141","0.0003","21.7822","0.0006","90","","90","","90","","2295.55","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C96 H128 N8 O20 -","4","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.0971","0.0373","","","0.0484","0.0545","","","","","","0.672","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026937","11.8147","0.0003","13.0024","0.0003","14.156","0.0003","90","","90","","90","","2174.64","0.09","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 F O3 -","- C14 H13 F O3 -","- C112 H104 F8 O24 -","8","1","","Michael T. Scerba; Steven Bloom; Nathan Haselton; Maxime Siegler; Jake Jaffe; Thomas Lectka","Interaction of a C-F Bond with the π-System of a C=C Bond or ""Head On"" with a Proximate C-H Bond","Journal of Organic Chemistry","2012","77","","1605","1609","10.1021/jo2024152","","","0.71073","MoKα","","0.0557","0.0393","","","0.0957","0.1012","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026938","17.04","0.02","8.094","0.012","26.81","0.03","90","","90","","90","","3698","8","293.1","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C128 H176 O72 -","8","2","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","","0.7107","MoKα","","","0.1","","","","0.064","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026939","8.8325","0.0004","14.1648","0.0004","14.7778","0.0005","90","0","99.154","0.005","90","0.005","1825.31","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","x-ray","0.71073","MoKα","","0.1516","0.0749","","","0.2018","0.223","","","","","","1.045","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026940","8.0546","0.0007","8.0546","0.0007","32.476","0.003","90","","90","","90","","2106.9","0.3","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","","Hong-Xia Xu; Su-Fang Cheng; Xiu-Jie Yang; Bin Chen; Yue Chen; Li-Ping Zhang; Li-Zhu Wu; Weihai Fang; Chen-Ho Tung; Richard G. Weiss","Enhancement of Diastereoselectivity in Photodimerization of Alkyl 2-Naphthoates with Chiral Auxiliaries via Inclusion within γ-Cyclodextrin Cavities","Journal of Organic Chemistry","2012","77","","1685","1692","10.1021/jo2020328","","","1.54186","CuKα","","0.0444","0.0391","","","0.09","0.0993","","","","","","1.1","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026941","5.5058","0.0019","11.098","0.004","35.318","0.012","90","","90","","90","","2158","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C80 H100 N4 O40 -","4","1","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.051","","","","0.08","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026942","8.655","0.003","11.543","0.004","12.702","0.004","63.88","0.03","70.64","0.03","89.42","0.03","1061.1","0.7","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C40 H50 N2 O20 -","2","2","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.068","","","","0.114","","","","","","1.07","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026943","22.266","0.002","8.883","0.0009","9.3118","0.001","90","","90","","90","","1841.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0583","0.0503","","","0.1255","0.1313","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026944","8.3438","0.0012","12.5908","0.0017","19.305","0.003","90","","90","","90","","2028.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0902","0.0494","","","0.0931","0.1057","","","","","","0.848","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026945","7.3321","0.0009","15.2253","0.0018","18.502","0.002","90","","90","","90","","2065.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0997","0.0508","","","0.0958","0.1101","","","","","","0.812","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026946","8.5449","0.0009","8.6216","0.0008","27.256","0.003","90","","90","","90","","2008","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O -","- C26 H27 N O -","- C104 H108 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.072","0.042","","","0.0878","0.0952","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026947","8.1652","0.0008","8.6326","0.0009","27.024","0.003","90","","90","","90","","1904.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0565","0.0463","","","0.1135","0.1186","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026948","13.42","0.002","7.6711","0.0013","25.275","0.004","90","","90","","90","","2602","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0743","0.0503","","","0.1101","0.1209","","","","","","1.052","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026949","22.137","0.012","7.901","0.004","15.787","0.009","90","","104.305","0.007","90","","2676","3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0736","0.0674","","0.1671","0.1601","0.1671","","","","","","0.9815","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026950","11.38","0.002","16.27","0.003","7.2667","0.0013","90","","98.752","0.002","90","","1329.8","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N -","- C18 H13 N -","- C72 H52 N4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0604","0.0433","","","0.1123","0.1254","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026951","8.217","0.003","9.041","0.003","16.898","0.006","90","","94.545","0.004","90","","1251.4","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F -","- C17 H13 F -","- C68 H52 F4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0728","0.0508","","","0.1337","0.1544","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026952","8.223","0.0014","8.9887","0.0015","17.94","0.003","90","","90","","90","","1326","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0432","0.0373","","","0.0831","0.0858","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026953","16.582","0.003","9.6251","0.0016","17.605","0.003","90","","111.114","0.002","90","","2621.2","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl -","- C17 H13 Cl -","- C136 H104 Cl8 -","8","2","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0955","0.0662","","","0.1856","0.2135","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026954","8.1895","0.0014","24.346","0.004","7.5266","0.0013","90","","117.113","0.002","90","","1335.8","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0791","0.0489","","","0.1107","0.1272","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026955","9.6439","0.0004","19.2458","0.0009","9.3848","0.0006","90","","101.658","0.005","90","","1705.93","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trifluoro-N-(8-methoxy-3-methyl-5-oxo-1,2,3,5,5a,6_ -hexahydroindeno[1,2-e]indol-5a-yl)acetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.1064","0.0398","","","0.074","0.0832","","","","","","0.791","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026956","18.214","0.008","9.281","0.005","9.715","0.005","90","","104.9","0.03","90","","1587","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5-methoxy-1-oxo-2-(2,2,2-trifluoroacetamido)-2,3-dihydro -1H-indene-2-carboxylate","","- C15 H14 F3 N O5 -","- C15 H14 F3 N O5 -","- C60 H56 F12 N4 O20 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0926","0.0483","","","0.1201","0.1537","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026957","9.3989","0.0008","9.6211","0.0006","10.509","0.001","105.856","0.007","101.153","0.008","102.494","0.006","859.63","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2,2-trifluoro-N-(8-methoxy-5-oxo-1,2,3,5,5a,6_ -hexahydroindeno[1,2-e]indol-5a-yl)acetamide","","- C18 H17 F3 N2 O4 -","- C18 H17 F3 N2 O4 -","- C36 H34 F6 N4 O8 -","2","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0681","0.0404","","","0.0846","0.0898","","","","","","0.877","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026958","7.0943","0.0007","14.9317","0.0014","18.0186","0.0017","90","","90","","90","","1908.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-tert-butyl 3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)_ -2-oxopyrrolidine-1-carboxylate","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0592","0.0451","","","0.114","0.1189","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026959","5.4247","0.0002","26.0447","0.001","7.076","0.0003","90","","105.793","0.004","90","","961.99","0.07","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","imidazylsulfonylazide hydrogensulfate","imidazylsulfonylazide hydrogensulfate","","- C3 H5 N5 O6 S2 -","- C3 H5 N5 O6 S2 -","- C12 H20 N20 O24 S8 -","4","1","","Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer","Sensitivities of Some Imidazole-1-sulfonyl Azide Salts","Journal of Organic Chemistry","2012","77","","1760","1764","10.1021/jo202264r","","","0.71073","MoKα","","0.0286","0.0255","","","0.0656","0.0667","","","","","","1.054","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026960","7.4067","0.0002","9.2983","0.0003","11.983","0.0003","90","","100.049","0.003","90","","812.61","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cl N5 O2 S -","- C3 H4 Cl N5 O2 S -","- C12 H16 Cl4 N20 O8 S4 -","4","1","","Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer","Sensitivities of Some Imidazole-1-sulfonyl Azide Salts","Journal of Organic Chemistry","2012","77","","1760","1764","10.1021/jo202264r","","","0.71073","MoKα","","0.0462","0.0291","","","0.0771","0.0813","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026961","9.677","0.004","11.802","0.004","12.736","0.005","90","","101.324","0.005","90","","1426.2","0.9","293.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Rupam Sarma; Manas M. Sarmah; Dipak Prajapati","Microwave-Promoted Catalyst- and Solvent-Free Aza-Diels-Alder Reaction of Aldimines with 6-[2-(Dimethylamino)vinyl]-1,3-dimethyluracil","Journal of Organic Chemistry","2012","77","","2018","2023","10.1021/jo202346w","","","0.71075","MoKα","","","0.0729","","","","0.0673","","","","","","7.863","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026962","15.3179","0.0004","11.0106","0.0002","21.8847","0.0004","90","","104.525","0.001","90","","3573.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H52 N2 O12 S4 -","- C29 H52 N2 O12 S4 -","- C116 H208 N8 O48 S16 -","4","1","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","","1.54178","CuKα","","0.0331","0.0314","","","0.0829","0.0841","","","","","","1.031","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026963","11.5578","0.0003","17.3536","0.0004","13.7567","0.0004","90","","104.737","0.001","90","","2668.41","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N2 O2 S4 -","- C23 H40 N2 O2 S4 -","- C92 H160 N8 O8 S16 -","4","1","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","x-ray","0.71073","MoKα","","0.1283","0.0755","","","0.1732","0.2069","","","","","","1.037","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026964","15.4577","0.0015","17.4225","0.0017","13.5101","0.0014","90","","90","","90","","3638.4","0.6","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H58 N2 O12 S4 -","- C27 H58 N2 O12 S4 -","- C108 H232 N8 O48 S16 -","4","0.5","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","","0.71073","MoKα","","0.0561","0.0381","","","0.0867","0.0975","","","","","","1.042","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026965","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Toyoharu Kobayashi; Futoshi Hasegawa; Yoshikatsu Hirose; Katsunori Tanaka; Hajime Mori; Shigeo Katsumura","Stereocontrolled Synthesis of Substituted Chiral Piperidines via One-Pot Asymmetric 6π-Azaelectrocyclization: Asymmetric Syntheses of (-)-Dendroprimine, (+)-7-Epidendroprimine, (+)-5-Epidendroprimine, and (+)-5,7-Epidendroprimine","Journal of Organic Chemistry","2012","77","","1812","1832","10.1021/jo202350z","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4026966","10.8038","0.001","23.985","0.002","8.7832","0.0008","90","","102.021","0.001","90","","2226.1","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojm03","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0731","0.0452","","","0.1044","0.1189","","","","","","1.021","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026967","11.3933","0.0012","9.578","0.001","20.154","0.002","90","","96.663","0.002","90","","2184.5","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","frojm06","","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0869","0.0458","","","0.0879","0.1023","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026968","9.8878","0.0006","11.5836","0.0007","12.5674","0.0008","76.497","0.001","85.255","0.001","66.263","0.001","1281.13","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","frojm08","","","- C30 H30 O8 -","- C30 H30 O8 -","- C60 H60 O16 -","2","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0745","0.0519","","","0.1343","0.1516","","","","","","1.027","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026969","9.0885","0.0014","9.8939","0.0015","14.454","0.002","85.558","0.003","79.432","0.003","77.598","0.003","1246.9","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","frojm09","","","- C27 H21 F3 O9 S -","- C27 H21 F3 O9 S -","- C54 H42 F6 O18 S2 -","2","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.1319","0.0583","","","0.1123","0.1494","","","","","","0.96","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026970","15.389","0.002","4.8134","0.0005","34.523","0.005","90","","90.643","0.008","90","","2557.1","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 O2 S3 -","- C26 H30 N2 O2 S3 -","- C104 H120 N8 O8 S12 -","4","1","","Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali","Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks","Journal of Organic Chemistry","2012","77","","2041","2046","10.1021/jo202412t","","x-ray","0.71073","MoKα","","","0.0402","","","","0.071","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026971","7.7287","0.0007","12.9149","0.0008","15.251","0.001","66.888","0.006","87.862","0.006","86.072","0.007","1396.73","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O2 S3 -","- C28 H30 N4 O2 S3 -","- C56 H60 N8 O4 S6 -","2","1","","Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali","Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks","Journal of Organic Chemistry","2012","77","","2041","2046","10.1021/jo202412t","","x-ray","0.71073","MoKα","","","0.065","","","","0.1639","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026972","10.477","0.002","15.019","0.0018","13.2317","0.0014","90","","90","","90","","2082.1","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3a,6,7a-Tetramethyltetrahydro-3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","1.5418","CuKα","","0.0654","0.0502","","","0.1249","0.1368","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026973","14.787","0.005","6.7567","0.0016","13.309","0.005","90","","90","","90","","1329.7","0.7","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(4-Bromophenyl)-6,7a-dimethyltetrahydro -3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C14 H15 Br O4 -","- C14 H15 Br O4 -","- C56 H60 Br4 O16 -","4","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","0.56085","AgKα","","0.0898","0.0416","","","0.0724","0.0839","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026974","13.809","0.003","17.516","0.003","20.801","0.004","90","","95.313","0.004","90","","5009.7","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cl2 N12 O12 -","- C44 H30 Cl2 N12 O12 -","- C176 H120 Cl8 N48 O48 -","4","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1434","0.0966","","","0.2366","0.2598","","","","","","1.254","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026975","12.783","0.005","27.232","0.011","13.362","0.006","90","","103.859","0.005","90","","4516","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N12 O14 -","- C32 H22 Cl2 N12 O14 -","- C128 H88 Cl8 N48 O56 -","4","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1001","0.078","","","0.215","0.2326","","","","","","1.084","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026976","32.062","0.009","12.597","0.003","26.339","0.008","90","","125.74","0.003","90","","8635","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H17 Cl3 F10 N6 O12 -","- C37 H17 Cl3 F10 N6 O12 -","- C296 H136 Cl24 F80 N48 O96 -","8","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1177","0.0962","","","0.2557","0.2684","","","","","","1.611","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026977","9.1999","0.0018","16.063","0.003","19.924","0.004","90","","90","","90","","2944.3","1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H18 Cl4 N6 O6 -","- C22 H18 Cl4 N6 O6 -","- C88 H72 Cl16 N24 O24 -","4","0.5","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.0375","0.0365","","","0.0893","0.0902","","","","","","1.083","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026978","7.782","0.0016","14.283","0.003","19.997","0.004","93.94","0.03","95.73","0.03","99.62","0.03","2172.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 F8 N O10 -","- C44 H47 F8 N O10 -","- C88 H94 F16 N2 O20 -","2","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1081","0.0843","","","0.175","0.1894","","","","","","1.202","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026979","20.247","0.007","7.55","0.003","18.304","0.01","90","","120.519","0.003","90","","2410.4","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","1","","Ru-Long Yan; Hao Yan; Chao Ma; Zhi-Yong Ren; Xi-Ai Gao; Guo-Sheng Huang; Yong-Min Liang","Cu(I)-Catalyzed Synthesis of Imidazo[1,2-a]pyridines from Aminopyridines and Nitroolefins Using Air as the Oxidant","Journal of Organic Chemistry","2012","77","","2024","2028","10.1021/jo202447p","","","0.71073","MoKα","","0.0739","0.0505","","","0.1188","0.132","","","","","","1.03","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026980","18.0934","0.0003","8.1573","0.0002","21.2642","0.0004","90","","99.461","0.002","90","","3095.76","0.11","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C152 H160 N16 -","8","1","","Rishikesh Narayan; Roland Fröhlich; Ernst-Ulrich Würthwein","Synthesis of Pyrroles through a 4π-Electrocyclic Ring-Closure Reaction of 1-Azapentadienyl Cations","Journal of Organic Chemistry","2012","77","","1868","1879","10.1021/jo202477h","","","0.71073","MoKα","","0.06","0.0515","","","0.1299","0.1381","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026981","15.4491","0.0018","15.4491","0.0018","11.464","0.003","90","","90","","120","","2369.6","0.7","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 I3 N5 O9 -","- C45 H39 I3 N5 O9 -","- C90 H78 I6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0813","0.0489","","","0.1308","0.1484","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026982","15.421","0.0009","15.421","0.0009","11.4661","0.0016","90","","90","","120","","2361.4","0.4","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 Cl3 N5 O9 -","- C45 H39 Cl3 N5 O9 -","- C90 H78 Cl6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.1173","0.0561","","","0.1375","0.1571","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026983","15.3378","0.0005","15.3378","0.0005","11.3656","0.0003","90","","90","","120","","2315.52","0.12","150","0.1","150","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","1","0.166667","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0511","0.0389","","","0.1008","0.1061","","","","","","1.069","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026984","15.4444","0.0007","15.8126","0.0005","16.7857","0.0009","90","","90","","90","","4099.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.1272","0.0655","","","0.1244","0.1451","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026985","16.9652","0.0008","11.2859","0.0005","10.6969","0.0005","90","","90","","90","","2048.11","0.16","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.0453","0.0395","","","0.0985","0.1022","","","","","","1.038","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026986","10.5604","0.0008","13.471","0.001","16.7672","0.0012","90.305","0.002","91.642","0.002","102.887","0.002","2324.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Cl2 N2 O6 S -","- C18 H30 Cl2 N2 O6 S -","- C72 H120 Cl8 N8 O24 S4 -","4","2","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.0822","0.0511","","","0.118","0.1332","","","","","","1.039","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026987","15.6955","0.0015","11.4214","0.001","24.763","0.002","90","","90","","90","","4439.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 O2 Si -","- C25 H28 O2 Si -","- C200 H224 O16 Si8 -","8","1","","Chengyu Wang; Yifeng Chen; Xin Xie; Jun Liu; Yuanhong Liu","Gold-Catalyzed Furan/Yne Cyclizations for the Regiodefined Assembly of Multisubstituted Protected 1-Naphthols","Journal of Organic Chemistry","2012","77","","1915","1921","10.1021/jo202541p","","","0.71073","MoKα","","0.0685","0.0533","","","0.1261","0.1354","","","","","","1.074","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026988","8.8063","0.0007","12.8761","0.001","19.984","0.0016","90","","90","","90","","2266","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O2 Pd -","- C24 H30 N2 O2 Pd -","- C96 H120 N8 O8 Pd4 -","4","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0165","0.016","","","0.0416","0.0419","","","","","","1.066","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026989","12.1379","0.0012","7.2271","0.0007","13.099","0.0013","90","","96.2841","0.0015","90","","1142.16","0.19","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 Pd -","- C25 H32 N2 O2 Pd -","- C50 H64 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0219","0.0206","","","0.052","0.0528","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026990","13.4182","0.0009","5.8548","0.0004","15.0836","0.001","90","","103.983","0.0007","90","","1149.87","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O2 Pd -","- C27 H28 N2 O2 Pd -","- C54 H56 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0239","0.0231","","","0.0606","0.0613","","","","","","1.058","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026991","8.4643","0.0008","15.585","0.0014","15.6693","0.0014","61.0011","0.0009","81.5729","0.0011","75.0436","0.001","1746.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 B O2 -","- C44 H43 B O2 -","- C88 H86 B2 O4 -","2","1","","Guang-Liang Fu; Hong-Yu Zhang; Yi-Qiao Yan; Cui-Hua Zhao","p-Quaterphenyls Laterally Substituted with a Dimesitylboryl Group: A Promising Class of Solid-State Blue Emitters","Journal of Organic Chemistry","2012","77","","1983","1990","10.1021/jo202574n","","","0.71069","MoKα","","0.0951","0.0608","","","0.1769","0.2025","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026992","11.739","0.008","15.319","0.01","28.17","0.02","90","","97.721","0.008","90","","5020","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 N O -","- C34 H25 N O -","- C272 H200 N8 O8 -","8","1","","Xiang-Chuan Wang; Ru-Long Yan; Mei-Jin Zhong; Yong-Min Liang","Bi(III)-Catalyzed Intermolecular Reactions of (Z)-Pent-2-en-4-yl Acetates with Ethynylarenes for the Construction of Multisubstituted Fluorene Skeletons through a Cascade Electrophilic Addition/Cycloisomerization Sequence","Journal of Organic Chemistry","2012","77","","2064","2068","10.1021/jo202607z","","","0.71073","MoKα","","0.2166","0.0815","","","0.1801","0.2483","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026993","31.539","0.003","3.8967","0.0004","18.5813","0.0017","90","","114.991","0.005","90","","2069.8","0.4","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Br2 O5 -","- C8 H6 Br2 O5 -","- C64 H48 Br16 O40 -","8","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0433","0.0381","","","0.1016","0.1061","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026994","11.3754","0.0003","18.5764","0.0006","10.7773","0.0002","90","","105.779","0.002","90","","2191.58","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Br N O5 -","- C23 H20 Br N O5 -","- C92 H80 Br4 N4 O20 -","4","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0892","0.063","","","0.1571","0.174","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026995","8.7822","0.0002","10.8031","0.0002","10.989","0.0002","85.777","0.001","82.92","0.001","82.235","0.001","1023.42","0.04","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H16 Br N O5 -","- C21 H16 Br N O5 -","- C42 H32 Br2 N2 O10 -","2","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0551","0.0439","","","0.1135","0.1218","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026996","8.3538","0.0001","29.5716","0.0005","23.3724","0.0004","90","","91.021","0.001","90","","5772.89","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31.25 H25 Br N O6 -","- C31.25 H25 Br N O6 -","- C250 H200 Br8 N8 O48 -","8","4","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1092","0.0745","","","0.1753","0.1917","","","","","","1.095","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026997","20.919","0.0009","24.1923","0.0016","15.2145","0.0007","90","","121.565","0.003","90","","6560.5","0.6","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C63.5 H47 N2 O12.5 -","- C63.5 H47 N2 O12.5 -","- C254 H188 N8 O50 -","4","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1101","0.0967","","","0.2725","0.2931","","","","","","1.304","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026998","10.1338","0.0009","10.1569","0.0009","16.9149","0.0015","90","","90","","90","","1741","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Eri Kanno; Kenichi Yamanoi; Shunsuke Koya; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","[5 + 2] Cycloaddition Reaction of 2-Vinylaziridines and Sulfonyl Isocyanates. Synthesis of Seven-Membered Cyclic Ureas","Journal of Organic Chemistry","2012","77","","2142","2148","10.1021/jo201959a","","","0.71073","MoKα","","0.0376","0.0325","","","0.0729","0.0762","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026999","6.9197","0.0002","14.4321","0.0004","10.8204","0.0004","90","","100.536","0.003","90","","1062.37","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 I2 N O -","- C8 H11 I2 N O -","- C32 H44 I8 N4 O4 -","4","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.0345","0.0248","","","0.0407","0.044","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027000","7.9762","0.0002","13.5692","0.0005","14.1525","0.0005","90","","90","","90","","1531.73","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I2 N O3 -","- C11 H17 I2 N O3 -","- C44 H68 I8 N4 O12 -","4","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.0257","0.0227","","","0.0452","0.0463","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027001","5.8915","0.0004","6.4911","0.0004","8.4228","0.0005","107.971","0.006","101.168","0.006","105.691","0.006","281.14","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C11 H17 N O3 -","1","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.068","0.0473","","","0.092","0.1022","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027002","7.5846","0.0007","5.833","0.0005","11.8172","0.0011","90","","90.213","0.002","90","","522.8","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Alphatriol","","","- C10 H16 O5 -","- C10 H16 O5 -","- C20 H32 O10 -","2","1","","Paresh M. Vadhadiya; Vedavati G. Puranik; C. V. Ramana","The Total Synthesis and Structural Revision of Stagonolide D","Journal of Organic Chemistry","2012","77","","2169","2175","10.1021/jo202138g","","","0.71073","MoKα","","0.0337","0.0305","","","0.0697","0.0713","","","","","","1.055","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027003","8.5066","0.0001","10.9081","0.0001","12.4869","0.0001","97.629","0.001","98.612","0.001","105.779","0.001","1083.96","0.02","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0562","0.0478","","","0.128","0.1377","","","","","","1.025","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027004","17.0358","0.0004","17.6527","0.0005","18.1968","0.0006","74.203","0.002","70.754","0.002","88.57","0.002","4958.7","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 B N -","- C31 H32 B N -","- C248 H256 B8 N8 -","8","4","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0757","0.0549","","","0.1368","0.1516","","","","","","1.013","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027005","12.204","0.001","15.3764","0.0005","16.6166","0.0007","116.404","0.005","92.153","0.003","99.484","0.003","2732.9","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 B N -","- C35 H34 B N -","- C140 H136 B4 N4 -","4","2","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0713","0.0501","","","0.1184","0.1331","","","","","","1.01","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027006","9.569","0.002","13.299","0.003","17.327","0.004","90","","102.286","0.0011","90","","2154.5","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 B2 N2 -","- C56 H58 B2 N2 -","- C112 H116 B4 N4 -","2","0.5","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","0.7107","MoKα","","0.1265","0.0812","","","0.1957","0.2379","","","","","","1.095","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027007","37.6706","0.0014","8.0291","0.0005","21.1282","0.0005","90","","121.608","0.002","90","","5442.5","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 B2 Cl4 N2 -","- C62 H64 B2 Cl4 N2 -","- C248 H256 B8 Cl16 N8 -","4","0.5","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0732","0.0612","","","0.1593","0.1704","","","","","","1.041","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027008","9.2141","0.0002","11.7224","0.0003","14.3987","0.0004","90.686","0.001","101.238","0.001","92.383","0.001","1523.76","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37 B Cl2 N2 O -","- C36 H37 B Cl2 N2 O -","- C72 H74 B2 Cl4 N4 O2 -","2","1","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","0.71073","MoKα","","0.0801","0.0737","","","0.1825","0.1909","","","","","","1.04","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027009","12.0642","0.0006","12.2497","0.0008","18.74","0.001","90","","94.866","0.005","90","","2759.5","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 N4 O14 -","- C22 H34 Cl2 N4 O14 -","- C88 H136 Cl8 N16 O56 -","4","1","","Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features.","Journal of Organic Chemistry","2012","77","","2207","2218","10.1021/jo202270j","","","0.71073","MoKα","","0.082","0.038","","","0.0742","0.0857","","","","","","0.907","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027010","7.871","0.002","8.087","0.003","10.307","0.004","72.08","0.03","67.16","0.03","76.62","0.02","570.6","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H13 Cl N O8 -","- C8 H13 Cl N O8 -","- C16 H26 Cl2 N2 O16 -","2","1","","Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features.","Journal of Organic Chemistry","2012","77","","2207","2218","10.1021/jo202270j","","","0.71069","MoKα","","0.0868","0.0627","","","0.1673","0.1893","","","","","","1.032","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027011","8.7086","0.0005","11.9726","0.0006","12.5052","0.0007","93.149","0.003","105.062","0.003","100.435","0.003","1231.07","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H19 B N6 O3 S -","- C31 H19 B N6 O3 S -","- C62 H38 B2 N12 O6 S2 -","2","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.1436","0.0675","","","0.1534","0.1931","","","","","","1.03","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027012","28.6367","0.0011","10.6211","0.0005","16.0322","0.0004","90","","93.147","0.002","90","","4868.9","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 B N6 O3 S -","- C25 H15 B N6 O3 S -","- C200 H120 B8 N48 O24 S8 -","8","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.1381","0.065","","","0.1571","0.1847","","","","","","0.961","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027013","20.0996","0.0003","11.4689","0.0005","19.5158","0.0004","90","","90","","90","","4498.8","0.2","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25.5 H16 B Cl N6 O3 S -","- C25.5 H16 B Cl N6 O3 S -","- C204 H128 B8 Cl8 N48 O24 S8 -","8","2","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.0999","0.0561","","","0.1328","0.1601","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027014","8.6104","0.0003","12.0076","0.0004","12.6012","0.0006","93.8835","0.0017","104.724","0.0017","100.18","0.0015","1231.5","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 B Cl N6 O3 S -","- C30 H16 B Cl N6 O3 S -","- C60 H32 B2 Cl2 N12 O6 S2 -","2","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.0534","0.041","","","0.1052","0.1131","","","","","","1.031","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027015","7.4612","0.0003","9.3954","0.0003","11.6354","0.0005","77.585","0.002","84.603","0.003","69.277","0.002","744.9","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C30 H38 N2 O4 S2 -","2","1","","Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia","Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction","Journal of Organic Chemistry","2012","77","","2508","2512","10.1021/jo2023944","","","0.71073","MoKα","","0.0685","0.0452","","","0.1179","0.1256","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027016","9.953","0.003","22.576","0.005","23.586","0.006","90","","97.836","0.018","90","","5250","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 S -","- C21 H23.3333 S -","- C252 H280 S12 -","12","3","","Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia","Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction","Journal of Organic Chemistry","2012","77","","2508","2512","10.1021/jo2023944","","","0.71073","MoKα","","0.137","0.0775","","","0.2011","0.2468","","","","","","1.035","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027017","10.8115","0.0015","8.1263","0.0011","15.801","0.003","90","","116.867","0.002","90","","1238.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 B F4 O -","- C13 H13 B F4 O -","- C52 H52 B4 F16 O4 -","4","1","","Arumugam Thangavel; Chariklia Sotiriou-Leventis; Richard Dawes; Nicholas Leventis","Orientation of Pyrylium Guests in Cucurbituril Hosts","Journal of Organic Chemistry","2012","77","","2263","2271","10.1021/jo202434z","","","0.71073","MoKα","","0.0682","0.0435","","","0.093","0.102","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027018","11.943","0.0008","16.0684","0.001","16.8946","0.0008","82.311","0.004","81.842","0.005","78.038","0.005","3121.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C137 H155 Cl3 N4 O16 -","- C137 H155 Cl3 N4 O16 -","- C137 H155 Cl3 N4 O16 -","1","0.5","","Chia-Chen Tsai; I-Ting Ho; Jean-Ho Chu; Li-Ching Shen; Shou-Ling Huang; Wen-Sheng Chung","Synthesis of 9,10-Bis-ketoenaminoanthryl and 9,10-Bis-isoxazolylanthryl Linked Biscalix[4]arenes: Atropisomers and Molecular Recognitions","Journal of Organic Chemistry","2012","77","","2254","2262","10.1021/jo2024784","","","1.54178","CuKα","","0.138","0.1173","","","0.3066","0.3222","","","","","","2.333","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027019","8.3584","0.001","10.8267","0.0014","14.0001","0.0018","69.264","0.003","85.675","0.003","82.217","0.003","1173.4","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C46 H70 N2 O16 -","2","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0552","","","","0.1696","","","","","","1.111","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027020","7.8196","0.0004","28.2633","0.001","8.4619","0.0003","90","","95.6773","0.0011","90","","1860.97","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","2","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0456","","","","0.1584","","","","","","1.061","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027021","7.75079","0.00014","17.8174","0.0003","11.3873","0.0002","90","","94.587","0.001","90","","1567.54","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","1.54187","CuKα","","0.0367","0.0342","","","0.0866","0.0881","","","","","","1.055","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027022","7.717","0.002","10.035","0.003","9.992","0.003","90","","102.451","0.008","90","","755.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.7107","MoKα","","0.0329","0.0317","","","0.0784","0.0796","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027023","10.888","0.002","11.294","0.002","15.876","0.003","78.3","0.03","79.01","0.03","61.71","0.03","1673.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 Ag N O6 -","- C13 H20 Ag N O6 -","- C52 H80 Ag4 N4 O24 -","4","2","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71073","MoKα","","0.0894","0.0607","","","0.1879","0.213","","","","","","1.113","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027024","10.1204","0.0012","17.7","0.002","26.514","0.004","90","","90","","90","","4749.5","1.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C184 H280 N8 O64 -","8","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.1108","","","","0.3432","","","","","","1.112","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027025","6.0984","0.0004","21.6451","0.0013","17.4041","0.0011","90","","102.572","0.0018","90","","2242.3","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0945","","","","0.3391","","","","","","1.099","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027026","5.9681","0.0002","10.2367","0.0005","14.6203","0.0008","90","","90","","90","","893.21","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-(S)-tetrahydrofuran-2-yl)propanal","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0375","0.0352","","","0.0868","0.0881","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027027","10.864","0.002","13.608","0.003","15.939","0.003","90","","90","","90","","2356.4","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl) propanal","","- C11 H20 O4 -","- C11 H20 O4 -","- C88 H160 O32 -","8","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0374","0.0357","","","0.0988","0.0998","","","","","","1.116","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027028","8.6771","0.0003","10.9779","0.0003","16.9366","0.0005","90","","90","","90","","1613.32","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 4'R, 5R)-2,2,2',2' -tetramethyl-4,4'-bi(1,3-dioxolan)-5-yl)propanal","","- C15 H26 O6 -","- C15 H26 O6 -","- C60 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0414","0.0347","","","0.0869","0.0893","","","","","","1.019","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027029","10.1592","0.0014","6.5759","0.0007","14.314","0.002","90","","92.95","0.012","90","","955","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-(S)-hydroxy-4-(R)-methyl-4-phenyl-dihydro-furan-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0875","0.0787","","","0.221","0.2257","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027030","6.0355","0.0004","8.5641","0.0004","8.9483","0.0006","90","","104.406","0.005","90","","447.98","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S, 4S, 5R)-3-Ethyl-5-(hydroxymethyl)-3-methyltetrahydrofuran-2,4-diol","","- C8 H16 O4 -","- C8 H16 O4 -","- C16 H32 O8 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0358","0.0275","","","0.0519","0.0532","","","","","","0.859","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027031","11.0893","0.0007","6.3495","0.0003","13.239","0.0008","90","","96.008","0.005","90","","927.06","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R, 4R, 5R)-3-Ethyl-3-methyltetrahydro-2H-pyran-2,4,5-triol","","- C32 H64 O16 -","- C32 H64 O16 -","- C32 H64 O16 -","1","0.5","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0797","0.0718","","","0.1959","0.2213","","","","","","1.085","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027032","7.6824","0.0012","8.4578","0.0016","10.8731","0.0017","90","","93.655","0.018","90","","705.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C24 H44 O12 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0505","0.0485","","","0.1254","0.1273","","","","","","1.095","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027033","7.9057","0.0016","9.811","0.002","19.575","0.005","90","","90","","90","","1518.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1(R)-((4R,5S)-4-(Hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl) ((4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl)methanol","","- C14 H26 O6 -","- C14 H26 O6 -","- C56 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0524","0.0441","","","0.1258","0.1323","","","","","","1.182","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027034","11.3676","0.0006","12.1304","0.0006","11.3295","0.0006","90","","90.147","0.004","90","","1562.26","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-isopropyl-5,5-dimethyl-6-phenethyl-1,3-dioxan-4-ol","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0551","0.0466","","","0.1295","0.1353","","","","","","1.007","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027035","6.6073","0.0002","10.3686","0.0004","15.9951","0.0004","90","","90","","90","","1095.8","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0398","0.0365","","","0.0937","0.0954","","","","","","1.069","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027036","8.7936","0.0007","8.8297","0.0009","20.9298","0.001","90","","90","","90","","1625.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O4 -","- C17 H21 Br O4 -","- C68 H84 Br4 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0451","0.0404","","","0.0811","0.0924","","","","","","1.15","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027037","7.3165","0.0003","9.6178","0.0003","26.2338","0.0009","90","","90","","90","","1846.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O6 Si -","- C16 H30 O6 Si -","- C64 H120 O24 Si4 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0502","0.0449","","","0.1103","0.1127","","","","","","1.033","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027038","13.2733","0.0004","13.6491","0.0004","19.3858","0.0004","79.467","0.002","87.473","0.002","72.882","0.002","3299.78","0.16","170","","170","","","","101","","","","","5","P -1","-P 1","2","","","","- C59 H84 F6 O11 S6 -","- C59 H84 F6 O11 S6 -","- C118 H168 F12 O22 S12 -","2","1","","Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak","S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation","Journal of Organic Chemistry","2012","77","","2272","2278","10.1021/jo202571h","","","1.5418","CuKα","","0.057","0.0542","","0.168","0.161","0.168","","","","","","1.0153","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027039","8.8","0.0002","18.12","0.0002","25.465","0.0004","94.159","0.0009","91.18","0.0007","98.499","0.0009","4003.36","0.12","150","","150","","","","101","","","","","5","P -1","-P 1","2","","","","- C38 H43 F3 O7 S5 -","- C38 H43 F3 O7 S5 -","- C152 H172 F12 O28 S20 -","4","2","","Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak","S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation","Journal of Organic Chemistry","2012","77","","2272","2278","10.1021/jo202571h","","","0.71073","MoKα","","0.0702","0.0468","","0.1314","0.1196","0.1314","","","","","","0.9621","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027040","58.012","0.006","6.97","0.0006","10.0048","0.0009","90","","95.132","0.003","90","","4029.2","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H60 N4 -","- C51 H60 N4 -","- C204 H240 N16 -","4","1","","Andrzej Rajca; Przemysław J. Boratyński; Arnon Olankitwanit; Kouichi Shiraishi; Maren Pink; Suchada Rajca","Ladder Oligo(m-aniline)s: Derivatives of Azaacenes with Cross-Conjugated π-Systems","Journal of Organic Chemistry","2012","77","","2107","2120","10.1021/jo2025948","","","0.49595","","","0.1696","0.0786","","","0.1798","0.2202","","","","","","0.892","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027041","9.9728","0.0008","13.2397","0.001","15.0024","0.0011","93.158","0.001","97.343","0.001","104.503","0.001","1894.2","0.3","191","2","191","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H5 N S4 -","- C70 H5 N S4 -","- C140 H10 N2 S8 -","2","1","","Hui-Lei Hou; Xiang Gao","Aerobic Oxidations of C602- in the Presence of PhCN and PhCH2CN: Oxygenation versus Dehydrogenation Reactions","Journal of Organic Chemistry","2012","77","","2553","2558","10.1021/jo202616j","","","0.71073","MoKα","","0.073","0.0557","","","0.1562","0.1724","","","","","","1.063","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027042","11.2502","0.0011","22.633","0.002","5.7548","0.0005","90","","90","","90","","1465.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N O5 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Franklin A. Davis; Narendra V. Gaddiraju; Naresh Theddu; Joshua R. Hummel; Sandeep K. Kondaveeti; Michael J. Zdilla","Enantioselective Synthesis of Cocaine C-1 Analogues using Sulfinimines (N-Sulfinyl Imines)","Journal of Organic Chemistry","2012","77","","2345","2359","10.1021/jo202652f","","","1.54178","CuKα","","0.0488","0.0407","","","0.0972","0.1033","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027043","7.7904","0.0004","11.2095","0.0007","15.2472","0.0008","90","","112.16","0.004","90","","1233.13","0.12","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methoxy-8-(4-methyl-3-furyl)-2H-chromen-2-one","","- C15 H21 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Bernd Schmidt; Stefan Krehl; Alexandra Kelling; Uwe Schilde","Synthesis of 8-Aryl-Substituted Coumarins Based on Ring-Closing Metathesis and Suzuki-Miyaura Coupling: Synthesis of a Furyl Coumarin Natural Product from Galipea panamensis","Journal of Organic Chemistry","2012","77","","2360","2367","10.1021/jo2026564","","","0.71073","MoKα","","0.0679","0.0575","","","0.1711","0.1799","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027044","6.0574","0.0005","11.2877","0.0012","21.5246","0.0016","90","","105.601","0.006","90","","1417.5","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,3,7,7-tetramethylhexahydro-1H-[1,4,2]oxazasilino [4,5-d][1,4,2]oxazasilin-9a-yl)methanol","","- C10 H23 N O3 Si2 -","- C10 H23 N O3 Si2 -","- C40 H92 N4 O12 Si8 -","4","1","","Nataliya F. Lazareva; Bagrat A. Shainyan; Uwe Schilde; Nina N. Chipanina; Larisa P. Oznobikhina; Alexander I. Albanov; Erich Kleinpeter","Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine","Journal of Organic Chemistry","2012","77","","2382","2388","10.1021/jo202658n","","","0.71073","MoKα","","0.0706","0.0441","","","0.1056","0.1208","","","","","","0.974","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027045","9.729","0.004","17.138","0.007","15.269","0.006","90","","92.418","0.005","90","","2543.6","1.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 F N O5 S -","- C27 H26 F N O5 S -","- C108 H104 F4 N4 O20 S4 -","4","1","","Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma","Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation","Journal of Organic Chemistry","2012","77","","2398","2406","10.1021/jo202693x","","","0.71073","MoKα","","0.0668","0.0514","","","0.1253","0.1372","","","","","","1.051","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027046","8.999","0.0006","10.3477","0.0004","13.9922","0.0011","83.058","0.012","84.028","0.013","77.561","0.012","1258.93","0.15","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F N O5 S -","- C27 H28 F N O5 S -","- C54 H56 F2 N2 O10 S2 -","2","1","","Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma","Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation","Journal of Organic Chemistry","2012","77","","2398","2406","10.1021/jo202693x","","","0.71073","MoKα","","0.0502","0.0418","","","0.1085","0.1156","","","","","","1.038","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027047","16.968","0.003","7.1256","0.0013","18.778","0.003","90","","94.56","0.006","90","","2263.2","0.7","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Jared W. Rigoli; Luke A. Boralsky; John C. Hershberger; Dagmara Marston; Alan R. Meis; Ilia A. Guzei; Jennifer M. Schomaker","1,4-Diazaspiro[2.2]pentanes as a Flexible Platform for the Synthesis of Diamine-Bearing Stereotriads","Journal of Organic Chemistry","2012","77","","2446","2455","10.1021/jo3000282","","","1.54178","CuKα","","0.0355","0.034","","","0.0958","0.0973","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027048","28.868","0.006","16.245","0.003","48.477","0.01","90","","106.04","0.03","90","","21849","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H107 F24 N5 O12 P4 -","- C94 H107 F24 N5 O12 P4 -","- C752 H856 F192 N40 O96 P32 -","8","1","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.1843","0.1362","","","0.3203","0.3434","","","","","","1.631","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027049","13.274","0.002","16.473","0.003","21.939","0.004","73.342","0.012","76.401","0.012","71.387","0.011","4300.7","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H96 F24 N4 O16 P4 -","- C88 H96 F24 N4 O16 P4 -","- C176 H192 F48 N8 O32 P8 -","2","1","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.1797","0.1456","","","0.3436","0.3608","","","","","","2.025","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027050","12.469","0.003","13.495","0.004","13.729","0.003","61.238","0.011","64.049","0.013","78.738","0.016","1820.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H82 F12 N2 O14 P2 -","- C76 H82 F12 N2 O14 P2 -","- C76 H82 F12 N2 O14 P2 -","1","0.5","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.0958","0.0806","","","0.2055","0.2196","","","","","","1.077","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027051","12.16","0.0008","13.2309","0.0009","13.6965","0.001","72.112","0.007","68.34","0.007","75.152","0.006","1923.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H35 Cl2 N5 Ni0.05 O -","- C52 H35 Cl2 N5 Ni0.05 O -","- C104 H70 Cl4 N10 Ni0.1 O2 -","2","1","","Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski","1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers","Journal of Organic Chemistry","2012","77","","2431","2440","10.1021/jo3000817","","","0.71073","MoKα","","0.1656","0.0649","","","0.1414","0.1587","","","","","","0.824","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027052","12.1898","0.0005","27.885","0.001","17.4845","0.0007","90","","102.235","0.004","90","","5808.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H45.5 Cl8.5 N6 O2 -","- C63.5 H45.5 Cl8.5 N6 O2 -","- C254 H182 Cl34 N24 O8 -","4","1","","Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski","1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers","Journal of Organic Chemistry","2012","77","","2431","2440","10.1021/jo3000817","","","0.71073","MoKα","","0.1398","0.0627","","","0.1463","0.1628","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027053","12.564","0.002","15.406","0.004","19.363","0.003","89.76","0.02","80.24","0.01","79.32","0.02","3628.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H94 Cl6 N16 S32 -","- C131 H94 Cl6 N16 S32 -","- C131 H94 Cl6 N16 S32 -","1","0.5","","Marie Hardouin-Lerouge; Bertrand Chesneau; Magali Allain; Piétrick Hudhomme","Dual Signaling System with an Extended-Tetrathiafulvalene-Phenanthroline Dyad Acting as an Electrooptical Cation Chemosensor","Journal of Organic Chemistry","2012","77","","2441","2445","10.1021/jo300101c","","x-ray","0.71073","MoKα","","","0.1342","","","","0.351","","","","","","1.107","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027054","14.809","0.002","17.264","0.003","19.65","0.004","88.48","0.005","73.52","0.004","82.88","0.005","4780","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C299 H136 O40 S2 -","- C299 H136 O40 S2 -","- C299 H136 O40 S2 -","1","0.5","","Huan Huang; Gang Zhang; Sisi Liang; Nana Xin; Liangbing Gan","Selective Synthesis of Fullerenol Derivatives with Terminal Alkyne and Crown Ether Addends","Journal of Organic Chemistry","2012","77","","2456","2462","10.1021/jo300118h","","","0.71073","MoKα","","0.1413","0.1298","","","0.3344","0.3468","","","","","","1.088","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027055","20.5963","0.0017","10.163","0.0007","15.4331","0.0011","90","","90","","90","","3230.5","0.4","290","1","290","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Kyoung A Jo; Muchchintala Maheswara; Eunyoung Yoon; Yun Yeong Lee; Hoseop Yun; Eun Joo Kang","N-Heterocyclic Carbene Catalyzed Domino Cyclization of Propargylic Alcohols and Benzoyl Isocyanates","Journal of Organic Chemistry","2012","77","","2924","2928","10.1021/jo202102y","","","0.71073","MoKα","","0.1418","0.052","","","0.0949","0.1196","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027056","10.16","0.004","10.464","0.004","10.644","0.004","90","","113.854","0.005","90","","1034.9","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 S2 Si3 -","- C16 H26 S2 Si3 -","- C32 H52 S4 Si6 -","2","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.044","0.0399","","","0.1024","0.1058","","","","","","1.106","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027057","21.037","0.005","11.731","0.003","10.746","0.003","90","","92.84","0.004","90","","2648.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 S2 Si4 -","- C19 H34 S2 Si4 -","- C76 H136 S8 Si16 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0452","0.0358","","","0.1026","0.1085","","","","","","1.005","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027058","13.2682","0.0014","13.7288","0.0014","17.4654","0.0018","90","","90","","90","","3181.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 S4 Si4 -","- C26 H34 S4 Si4 -","- C104 H136 S16 Si16 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0333","0.0288","","","0.073","0.0752","","","","","","1.041","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027059","13.753","0.007","14.627","0.007","14.647","0.012","98.458","0.011","110.078","0.011","117.942","0.007","2270","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Br S2 Si3 -","- C16 H25 Br S2 Si3 -","- C64 H100 Br4 S8 Si12 -","4","2","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.1171","0.0742","","","0.2138","0.2325","","","","","","1.084","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027060","9.575","0.003","19.537","0.005","10.714","0.003","90","","109.511","0.003","90","","1889.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br2 S2 Si2 -","- C13 H16 Br2 S2 Si2 -","- C52 H64 Br8 S8 Si8 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0601","0.0327","","","0.0728","0.0781","","","","","","1.018","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027061","9.5026","0.0004","34.1358","0.0013","9.7418","0.0004","90","","116.922","0.0009","90","","2817.6","0.2","293","","293","","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H15 Cl8 Ir O5 Sn3 -","- C10 H15 Cl8 Ir O5 Sn3 -","- C40 H60 Cl32 Ir4 O20 Sn12 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.0813","0.0659","","","0.1484","0.1529","","","","","","1.299","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027062","5.985","0.005","7.913","0.005","27.626","0.005","90","0.005","90","0.005","90","0.005","1308.3","1.4","293","","293","","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.1037","0.0783","","","0.2321","0.2699","","","","","","1.06","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027063","10.4119","0.0004","12.2748","0.0004","10.7295","0.0004","90","","110.58","0.004","90","","1283.76","0.09","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl N4 O -","- C12 H15 Cl N4 O -","- C48 H60 Cl4 N16 O4 -","4","1","","Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He","Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates","Journal of Organic Chemistry","2012","77","","2649","2658","10.1021/jo2023697","","","0.7107","MoKα","","0.0639","0.0433","","","0.0955","0.1084","","","","","","1.043","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027064","5.80481","0.00014","14.0954","0.0004","11.0624","0.0003","90","","93.634","0.002","90","","903.32","0.04","150.1","","150.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He","Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates","Journal of Organic Chemistry","2012","77","","2649","2658","10.1021/jo2023697","","","0.7107","MoKα","","0.0669","0.0531","","","0.1218","0.1321","","","","","","1.042","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027065","8.872","0.002","9.192","0.0019","10.178","0.002","103.813","0.011","110.457","0.012","105.347","0.011","697.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 N O2 Se -","- C13 H17 N O2 Se -","- C26 H34 N2 O4 Se2 -","2","1","","T. M. Vishwanatha; N. Narendra; Basab Chattopadhyay; Monika Mukherjee; Vommina V. Sureshbabu","Synthesis of Selenoxo Peptides and Oligoselenoxo Peptides Employing LiAlHSeH","Journal of Organic Chemistry","2012","77","","2689","2702","10.1021/jo2024703","","","0.71073","MoKα","","0.2728","0.0425","","","0.0895","0.1246","","","","","","0.947","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027066","6.611","0.003","14.222","0.006","20.57","0.009","90","","90","","90","","1934","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br N2 O4 -","- C21 H17 Br N2 O4 -","- C84 H68 Br4 N8 O16 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.143","0.0952","","","0.2499","0.279","","","","","","1.125","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027067","9.1977","0.0012","10.4095","0.0013","21.851","0.003","90","","90","","90","","2092.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O2 S -","- C25 H26 N2 O2 S -","- C100 H104 N8 O8 S4 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.0449","0.0349","","","0.0763","0.0803","","","","","","1.044","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027068","19.856","0.004","7.346","0.0013","20.945","0.004","90","","116.514","0.002","90","","2733.8","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Hai Xie; Ding Yuan; Ming-Wu Ding","Unexpected Synthesis of 2,4,5-Trisubstituted Oxazoles via a Tandem Aza-Wittig/Michael/Isomerization Reaction of Vinyliminophosphorane","Journal of Organic Chemistry","2012","77","","2954","2958","10.1021/jo202588j","","","0.71073","MoKα","","0.0548","0.0479","","","0.1358","0.1429","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027069","9.3573","0.0002","9.3573","0.0002","40.4414","0.0015","90","","90","","120","","3066.61","0.15","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C132 H144 O36 -","6","2","","Xiaoqin Wang; Weijun Yao; Zhihui Yao; Cheng Ma","Bifuctional Amino-Squaramides Catalyzed Asymmetric Spiroannulation Cascades with Aliphatic β,γ-Unsaturated α-Keto Esters: Controlling an Aldehyde Enolate","Journal of Organic Chemistry","2012","77","","2959","2965","10.1021/jo202633c","","","1.54184","CuKα","","0.0937","0.0896","","","0.2641","0.269","","","","","","1.031","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027070","10.969","0.004","19.154","0.003","15.685","0.002","90","","104.199","0.014","90","","3194.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 B N2 O -","- C41 H44 B N2 O -","- C164 H176 B4 N8 O4 -","4","1","","James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull","N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents","Journal of Organic Chemistry","2012","77","","2808","2818","10.1021/jo202647f","","","0.71073","MoKα","","0.1218","0.0796","","","0.2174","0.2585","","","","","","1.04","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027071","17.718","0.0001","19.401","0.0001","20.336","0.0002","90","","90","","90","","6990.44","0.09","150","2","150","2","","","","","","","","6","P c a n","-P 2n 2c","60","","","","- C41 H43 B Cl2 N2 O -","- C41 H43 B Cl2 N2 O -","- C328 H344 B8 Cl16 N16 O8 -","8","1","","James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull","N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents","Journal of Organic Chemistry","2012","77","","2808","2818","10.1021/jo202647f","","","0.71073","MoKα","","0.0605","0.0409","","","0.0936","0.1049","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027072","8.18","0.001","9.9875","0.0013","13.2073","0.0015","97.344","0.006","98.122","0.008","111.627","0.008","973.8","0.2","95","0.5","95","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C48 H60 Cl2 N2 -","2","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","0.71073","MoKα","","0.063","0.044","","","0.108","0.118","","","","","","1.041","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027073","18.545","0.003","10.021","0.002","11.5921","0.0015","90","","92.327","0.01","90","","2152.5","0.6","95","0.5","95","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N O -","- C26 H35 N O -","- C104 H140 N4 O4 -","4","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","0.71073","MoKα","","0.0833","0.0499","","","0.1113","0.1265","","","","","","1.022","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027074","9.7385","0.0004","11.6917","0.0006","41.5907","0.0019","90","","90","","90","","4735.5","0.4","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H39 N -","- C30 H39 N -","- C240 H312 N8 -","8","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","1.54178","CuKα","","0.063","0.053","","","0.132","0.138","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027075","10.7931","0.0013","11.7407","0.0012","12.4871","0.0012","116.859","0.005","100.003","0.006","93.089","0.005","1374.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl3 N4 O4 S2 -","- C25 H21 Cl3 N4 O4 S2 -","- C50 H42 Cl6 N8 O8 S4 -","2","1","","Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen","(Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold","Journal of Organic Chemistry","2012","77","","2791","2797","10.1021/jo300004p","","","1.54178","CuKα","","0.1067","0.0663","","","0.1585","0.181","","","","","","1.013","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027076","14.5105","0.0005","13.5453","0.0006","15.6906","0.0005","90","","111.723","0.002","90","","2864.96","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 S6 -","- C27 H28 N4 S6 -","- C108 H112 N16 S24 -","4","0.5","","Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen","(Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold","Journal of Organic Chemistry","2012","77","","2791","2797","10.1021/jo300004p","","","1.54178","CuKα","","0.048","0.0384","","","0.0999","0.1067","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027077","8.7283","0.0001","12.0028","0.0002","23.2475","0.0004","90","","90","","90","","2435.5","0.06","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br Cl2 N2 O3 -","- C27 H23 Br Cl2 N2 O3 -","- C108 H92 Br4 Cl8 N8 O12 -","4","1","","Eider Aranzamendi; Nuria Sotomayor; Esther Lete","Brønsted Acid Catalyzed Enantioselective α-Amidoalkylation in the Synthesis of Isoindoloisoquinolines","Journal of Organic Chemistry","2012","77","","2986","2991","10.1021/jo3000223","","","1.54184","CuKα","","0.0406","0.037","","","0.0933","0.0963","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027078","13.0005","0.0013","7.0068","0.0007","17.8353","0.0018","90","","106.159","0.002","90","","1560.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl I N O2 -","- C16 H11 Cl I N O2 -","- C64 H44 Cl4 I4 N4 O8 -","4","1","","Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li","Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations","Journal of Organic Chemistry","2012","77","","2837","2849","10.1021/jo300037n","","","0.71073","MoKα","","0.0427","0.0357","","","0.0785","0.0825","","","","","","1.087","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027079","6.7473","0.0007","9.6146","0.001","27.114","0.003","90","","95.106","0.002","90","","1752","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li","Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations","Journal of Organic Chemistry","2012","77","","2837","2849","10.1021/jo300037n","","","0.71073","MoKα","","0.0556","0.0394","","","0.0851","0.0882","","","","","","0.91","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027080","8.2933","0.0007","10.0821","0.0009","17.0581","0.0013","90","","99.641","0.002","90","","1406.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C72 H48 F12 N4 O4 -","4","1","","Lei-Lei Sun; Zhi-Yong Liao; Ri-Yuan Tang; Chen-Liang Deng; Xing-Guo Zhang","Palladium and Copper Cocatalyzed Tandem N-H/C-H Bond Functionalization: Synthesis of CF3-Containing Indolo- and Pyrrolo[2,1-a]isoquinolines","Journal of Organic Chemistry","2012","77","","2850","2856","10.1021/jo3000404","","","0.71073","MoKα","","0.056","0.0396","","","0.1151","0.1322","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027081","5.488","0.0004","15.46","0.001","28.8777","0.0017","90","","90","","90","","2450.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F2 O3 S2 -","- C28 H24 F2 O3 S2 -","- C112 H96 F8 O12 S8 -","4","1","","José Luis García Ruano; José Antonio Fernández-Salas; M. Carmen Maestro","Stereocontrolled Fluorobenzylation of Vinyl Sulfones and α,β-Unsaturated Esters Mediated by a Remote Sulfinyl Group. Synthesis of Functionalized Enantiomerically Pure Benzylic Fluorides","Journal of Organic Chemistry","2012","77","","2893","2900","10.1021/jo300174k","","","0.71073","MoKα","","0.081","0.0491","","","0.1062","0.1497","","","","","","1.148","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027082","8.82088","0.00016","17.5456","0.0004","11.9169","0.0003","90","","93.8914","0.0007","90","","1840.1","0.07","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F N O2 S -","- C20 H17 Br F N O2 S -","- C80 H68 Br4 F4 N4 O8 S4 -","4","2","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.067","","","","","","1.109","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027083","17.5575","0.0009","5.9446","0.0003","19.3228","0.001","90","","109.387","0.0012","90","","1902.41","0.17","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0373","","","","0.0918","","","","","","1.083","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027084","8.5546","0.00018","10.315","0.0003","20.8151","0.0005","90","","90","","90","","1836.74","0.08","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0293","","","","0.0761","","","","","","1.097","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027085","5.61505","0.00011","13.7153","0.0003","23.8616","0.0005","90","","90","","90","","1837.63","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C84 H64 Cl4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.03","","","","0.0739","","","","","","1.084","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027086","5.75921","0.0001","13.2454","0.0003","23.194","0.0005","90","","90","","90","","1769.31","0.06","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0303","","","","0.0773","","","","","","1.095","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027087","5.48038","0.00011","14.4143","0.0004","24.5178","0.0006","90","","90","","90","","1936.8","0.08","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C88 H64 F12 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.079","","","","","","1.092","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027088","6.2974","0.0004","7.9135","0.0005","36.77","0.002","90","","90","","90","","1832.41","0.19","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0469","","","","0.1079","","","","","","0.991","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027089","5.9669","0.0002","8.5395","0.0003","36.8188","0.0013","90","","90","","90","","1876.08","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0651","","","","0.1562","","","","","","1.143","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027090","8.57844","0.00019","5.82241","0.00012","18.8022","0.0005","90","","100.163","0.0007","90","","924.38","0.04","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C44 H38 N2 O8 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0308","","","","0.0746","","","","","","1.074","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027091","6.36452","0.00014","8.11463","0.00018","34.3132","0.0008","90","","90","","90","","1772.13","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0315","","","","0.0795","","","","","","1.062","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027092","8.0346","0.0009","6.4023","0.0007","17.6979","0.0018","90","","100.211","0.003","90","","895.96","0.17","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C42 H32 F2 N2 O6 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0453","","","","0.096","","","","","","1.048","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027093","10.3632","0.0013","8.1773","0.001","21.547","0.003","90","","91.751","0.002","90","","1825.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08001","","","- C32 H68 N2 O11 -","- C32 H68 N2 O11 -","- C64 H136 N4 O22 -","2","1","","Jae Chul Lee; Subhashree Francis; Dinah Dutta; Vijayalaxmi Gupta; Yan Yang; Jin-Yi Zhu; Joseph S. Tash; Ernst Schönbrunn; Gunda I. Georg","Synthesis and Evaluation of Eight- and Four-Membered Iminosugar Analogues as Inhibitors of Testicular Ceramide-Specific Glucosyltransferase, Testicular β-Glucosidase 2, and Other Glycosidases","Journal of Organic Chemistry","2012","77","","3082","3098","10.1021/jo202054g","","","0.71073","MoKα","","0.1022","0.0527","","","0.131","0.17","","","","","","1.016","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027094","14.495","0.003","15.945","0.004","17.142","0.004","87.527","0.006","68.186","0.004","81.798","0.006","3640.4","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N9 O9 S5 -","- C27 H35 N9 O9 S5 -","- C108 H140 N36 O36 S20 -","4","2","","Rebecca M. Duke; Thomas McCabe; Wolfgang Schmitt; Thorfinnur Gunnlaugsson","Recognition and Sensing of Biologically Relevant Anions in Alcohol and Mixed Alcohol-Aqueous Solutions Using Charge Neutral Cleft-Like Glycol-Derived Pyridyl-Amidothiourea Receptors","Journal of Organic Chemistry","2012","77","","3115","3126","10.1021/jo202332h","","","0.7107","MoKα","","0.067","0.0623","","","0.1495","0.1534","","","","","","1.063","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027095","7.3934","0.0002","15.6929","0.0004","10.0693","0.0003","90","","106.497","0.004","90","","1120.19","0.06","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger","Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines","Journal of Organic Chemistry","2012","77","","3538","3542","10.1021/jo202450u","","","0.71073","MoKα","","0.0469","0.0361","","","0.0925","0.0951","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027096","14.2138","0.0001","10.0644","0.0001","14.4831","0.0001","90","","99.6","0.001","90","","2042.84","0.03","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger","Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines","Journal of Organic Chemistry","2012","77","","3538","3542","10.1021/jo202450u","","","1.54178","CuKα","","0.0412","0.0347","","","0.0919","0.0941","","","","","","1.086","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027097","9.2292","0.0013","13.5016","0.0019","18.493","0.003","72.535","0.002","81.06","0.003","76.979","0.003","2132.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O2 Se -","- C24 H20 Br N O2 Se -","- C96 H80 Br4 N4 O8 Se4 -","4","2","","Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres","Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents","Journal of Organic Chemistry","2012","77","","3549","3556","10.1021/jo202495z","","","0.71073","MoKα","","0.2553","0.0764","","","0.141","0.1752","","","","","","0.999","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027098","12.36","0.002","12.862","0.003","22.211","0.004","90","","104.886","0.004","90","","3412.5","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 Se -","- C19 H17 N O2 Se -","- C152 H136 N8 O16 Se8 -","8","2","","Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres","Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents","Journal of Organic Chemistry","2012","77","","3549","3556","10.1021/jo202495z","","","0.71073","MoKα","","0.198","0.0609","","","0.1495","0.2423","","","","","","1.013","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027099","20.639","0.011","20.639","0.011","13.164","0.007","90","","90","","90","","5607","5","298","2","298","2","","","","","","","","6","I 41","I 4bw","80","","","","- C26 H31 Br N2 O9 S -","- C26 H31 Br N2 O9 S -","- C208 H248 Br8 N16 O72 S8 -","8","1","","Qi-Xiang Guo; Yu-Wan Liu; Xing-Cheng Li; Ling-Zhi Zhong; Yun-Gui Peng","Enantioselective and Solvent-Controlled Diastereoselective Mannich Reaction of Isatin Imines with Hydroxyacetone: Synthesis of 3-Substituted 3-Aminooxindoles","Journal of Organic Chemistry","2012","77","","3589","3594","10.1021/jo202585w","","","0.71073","MoKα","","0.0955","0.0552","","","0.1588","0.1922","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027100","5.9603","0.0004","7.9818","0.0005","40.339","0.003","90","","90","","90","","1919.1","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N S3 -","- C24 H15 N S3 -","- C96 H60 N4 S12 -","4","1","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.0376","0.0368","","","0.1016","0.1019","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027101","9.7746","0.0005","26.4346","0.0016","28.6784","0.0019","90","","90","","90","","7410.1","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H21 N S4 -","- C30 H21 N S4 -","- C360 H252 N12 S48 -","12","3","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.064","0.0589","","","0.1083","0.1101","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027102","11.2117","0.0002","11.2117","0.0002","54.8735","0.001","90","","90","","90","","6897.7","0.2","93","","93","","","","","","","","","5","P 41","P 4w","76","","","","- C86 H64 Cl4 O6 P2 -","- C86 H64 Cl4 O6 P2 -","- C344 H256 Cl16 O24 P8 -","4","1","","Bunpei Hatano; Kazuyuki Hashimoto; Hiroshi Katagiri; Tatsuro Kijima; Satoshi Murakami; Shigeru Matsuba; Miho Kusakari","Enantioresolution of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Oxide Using Inclusion Complex with Chiral 2,2'-Dihydroxy-1,1'-binaphtyl","Journal of Organic Chemistry","2012","77","","3595","3597","10.1021/jo202630p","","","1.54187","CuKα","","0.04","0.0399","","","0.1032","0.1033","","","","","","1.06","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027103","11.5379","0.0013","10.6801","0.0012","13.8158","0.0015","90","","100.801","0.005","90","","1672.3","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O6 -","- C35 H54 O6 -","- C70 H108 O12 -","2","1","","Gregory K. Friestad; An Ji; Jonas Baltrusaitis; Chandra Sekhar Korapala; Jun Qin","Scope of Stereoselective Mn-Mediated Radical Addition to Chiral Hydrazones and Application in a Formal Synthesis of Quinine","Journal of Organic Chemistry","2012","77","","3159","3180","10.1021/jo2026349","","","0.71073","MoKα","","0.0464","0.0432","","","0.1107","0.1137","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027104","8.5749","0.0006","11.5138","0.0008","43.232","0.003","90","","90","","90","","4268.3","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H63 N O5 Si -","- C46 H63 N O5 Si -","- C184 H252 N4 O20 Si4 -","4","1","","Christian C. Ventocilla; K. A. Woerpel","Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes","Journal of Organic Chemistry","2012","77","","3277","3283","10.1021/jo202650k","","","0.71073","MoKα","","0.0581","0.0531","","","0.1439","0.1477","","","","","","1.088","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027105","11.2829","0.001","12.0507","0.0011","12.1302","0.0011","115.864","0.0014","100.482","0.0015","103.034","0.0015","1370","0.2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 O5 Si -","- C28 H42 O5 Si -","- C56 H84 O10 Si2 -","2","1","","Christian C. Ventocilla; K. A. Woerpel","Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes","Journal of Organic Chemistry","2012","77","","3277","3283","10.1021/jo202650k","","","0.71073","MoKα","","0.0507","0.0383","","","0.0938","0.101","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027106","9.7554","0.0003","10.4301","0.0003","16.6303","0.0007","77.186","0.003","81.132","0.003","70.517","0.003","1549.58","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 O7 Si -","- C31 H46 O7 Si -","- C62 H92 O14 Si2 -","2","1","","Daniel C. Schmitt; Ericka J. Malow; Jeffrey S. Johnson","Three-Component Glycolate Michael Reactions of Enolates, Silyl Glyoxylates, and α,β-Enones","Journal of Organic Chemistry","2012","77","","3246","3251","10.1021/jo202679u","","","1.54178","CuKα","","0.0829","0.0614","","","0.1437","0.1587","","","","","","1.067","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027107","14.0124","0.0009","6.3282","0.0003","15.2728","0.001","90","","106.082","0.008","90","","1301.29","0.14","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Dimethylsulfamoyl-5-phenylazoimidazole","","","- C11 H13 N5 O2 S -","- C11 H13 N5 O2 S -","- C44 H52 N20 O8 S4 -","4","1","","Thore Wendler; Christian Schütt; Christian Näther; Rainer Herges","Photoswitchable Azoheterocycles via Coupling of Lithiated Imidazoles with Benzenediazonium Salts","Journal of Organic Chemistry","2012","77","","3284","3287","10.1021/jo202688x","","","0.71073","MoKα","","0.0426","0.0373","","","0.1023","0.1055","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027108","10.989","0.004","15.032","0.005","15.109","0.005","119.832","0.004","96.649","0.006","90","0.006","2145.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H29 Cl6 F3 N4 Ni -","- C47 H29 Cl6 F3 N4 Ni -","- C94 H58 Cl12 F6 N8 Ni2 -","2","1","","Fei Hao; Hua-Wei Jiang; Guoqiang Zong; Zhiguo Zhou; Ruo-Bing Du; Qing-Yun Chen; Ji-Chang Xiao","Electrophilic Fluoroalkylation of Ni(II) N-Confused Porphyrins with Fluoroalkylarylsulfonium Salts","Journal of Organic Chemistry","2012","77","","3604","3608","10.1021/jo3000018","","","0.71073","MoKα","","0.0965","0.0725","","","0.1864","0.2088","","","","","","1.037","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027109","16.4794","0.0012","45.447","0.003","16.3605","0.0012","90","","113.891","0.002","90","","11203.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Br2 O2 P4 Pt2 -","- C52 H80 Br2 O2 P4 Pt2 -","- C416 H640 Br16 O16 P32 Pt16 -","8","2","","Qing Han; Li-Lei Wang; Quan-Jie Li; Guang-Zhen Zhao; Jiuming He; Bingjie Hu; Hongwei Tan; Zeper Abliz; Yihua Yu; Hai-Bo Yang","Synthesis of Triangular Metallodendrimers via Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2012","77","","3426","3432","10.1021/jo300016a","","","0.71073","MoKα","","0.1345","0.115","","","0.2402","0.2482","","","","","","1.267","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027110","6.503","0.0013","12.1809","0.0011","13.9183","0.0019","66.72","0.03","82.58","0.04","76.52","0.04","984","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C44 H46 N2 O12 -","2","1","","Le Chang; Hao Jiang; Junkai Fu; Bin Liu; Chuang-chuang Li; Zhen Yang","Synthesizing the Tetracyclic Core of Nanolobatolide","Journal of Organic Chemistry","2012","77","","3609","3614","10.1021/jo300039q","","","1.54187","CuKα","","","0.0973","","","","0.3585","","","","","","1.418","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027111","16.1486","0.0007","6.845","0.0003","18.5516","0.0008","90","","94.31","0.001","90","","2044.84","0.15","","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H69 Cl N2 O8 -","- C41 H67 Cl N2 O8 -","- C82 H134 Cl2 N4 O16 -","2","1","","Yong-Li Zhong; Donald R. Gauthier; Yao-Jun Shi; Mark McLaughlin; John Y. L. Chung; Philippe Dagneau; Benjamin Marcune; Shane W. Krska; Richard G. Ball; Robert A. Reamer; Nobuyoshi Yasuda","Synthesis of Antifungal Glucan Synthase Inhibitors from Enfumafungin","Journal of Organic Chemistry","2012","77","","3297","3310","10.1021/jo300046v","","","","MoKα","","","0.0461","","","","0.1195","","","","","","1.028","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027112","31.219","0.004","6.121","0.0007","18.877","0.002","90","","106.402","0.001","90","","3460.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Naphtho[1,2-c]isoxazole","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Zhigang She; Dongyue Niu; Lei Chen; Maria A. Gunawan; Xhesika Shanja; William H. Hersh; Yu Chen","Synthesis of Trisubstituted Isoxazoles by Palladium(II)-Catalyzed Cascade Cyclization-Alkenylation of 2-Alkyn-1-one O-Methyl Oximes","Journal of Organic Chemistry","2012","77","","3627","3633","10.1021/jo300090k","","","0.71073","MoKα","","0.0487","0.0384","","","0.0948","0.1011","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027113","9.959","0.003","10.162","0.003","20.434","0.005","90","","90","","90","","2068","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O2 S -","- C20 H23 Br N2 O2 S -","- C80 H92 Br4 N8 O8 S4 -","4","1","","Wenjin Yan; Dong Wang; Jingchao Feng; Peng Li; Rui Wang","Zinc-Mediated Diastereoselective Synthesis of 3-Amino Oxindoles by Addition of Methyl and Terminal Alkynes to N-tert-Butanesulfinyl Ketimines","Journal of Organic Chemistry","2012","77","","3311","3317","10.1021/jo300110a","","","0.71073","MoKα","","0.1614","0.0749","","","0.1967","0.2529","","","","","","1.012","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027114","10.0888","0.0017","16.229","0.003","19.287","0.004","90","","90","","90","","3157.9","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Fe N3 P2 -","- C38 H33 Fe N3 P2 -","- C152 H132 Fe4 N12 P8 -","4","1","","Takashi Konno; Kenta Shimizu; Kenichi Ogata; Shin-ichi Fukuzawa","Rhodium-Catalyzed Enantioselective Hydrogenation of Unsaturated Phosphonates by Click Ferrophos Ligands","Journal of Organic Chemistry","2012","77","","3318","3324","10.1021/jo300129m","","","0.71075","MoKα","","","0.0406","","","","0.1038","","","","","","0.805","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027115","23.957","0.005","8.3528","0.0017","20.444","0.004","90","","90","","90","","4091","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 Cl Cu N4 O4 -","- C96 Cl12 Cu12 N48 O48 -","12","3","","Bo Yao; Zu-Li Wang; Hu Zhang; De-Xian Wang; Liang Zhao; Mei-Xiang Wang","Cu(ClO4)2-Mediated Arene C-H Bond Halogenations of Azacalixaromatics Using Alkali Metal Halides as Halogen Sources","Journal of Organic Chemistry","2012","77","","3336","3340","10.1021/jo300152u","","","0.71073","MoKα","","0.0546","0.051","","","0.1334","0.1374","","","","","","1.07","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027116","10.8582","0.0014","9.0165","0.0012","19.867","0.003","90","","99.776","0.0015","90","","1916.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 Se -","- C20 H28 O3 Se -","- C80 H112 O12 Se4 -","4","2","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0528","0.0374","","","0.083","0.0888","","","","","","1.039","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027117","12.547","0.008","8.87","0.005","16.302","0.01","90","","100.639","0.006","90","","1783.1","1.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 N O6 Si -","- C34 H55 N O6 Si -","- C68 H110 N2 O12 Si2 -","2","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0944","0.0736","","","0.1908","0.2132","","","","","","1.047","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027118","9.8475","0.0006","11.6751","0.0007","19.0604","0.0011","90","","90","","90","","2191.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0469","0.0351","","","0.0797","0.0867","","","","","","1.034","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027119","8.3064","0.0005","11.8273","0.0007","26.9582","0.0017","90","","90","","90","","2648.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 F3 N O3 -","- C30 H34 F3 N O3 -","- C120 H136 F12 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0491","0.039","","","0.0899","0.0961","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027120","5.5725","0.0001","18.1754","0.0003","26.6342","0.0004","90","","90","","90","","2697.58","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O3 -","- C33 H37 N O3 -","- C132 H148 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0329","0.0314","","","0.0826","0.0837","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027121","7.7171","0.0002","8.9158","0.0002","15.6711","0.0005","100.275","0.002","100.391","0.002","107.028","0.002","982.94","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Lihua Yao; Bhaskar Pitta; P. C. Ravikumar; Matthew Purzycki; Fraser F. Fleming","Transmissive Olefination Route to Putative ""Morinol I"" Lignans","Journal of Organic Chemistry","2012","77","","3651","3657","10.1021/jo3001723","","","0.71073","MoKα","","0.0697","0.0472","","","0.1416","0.1573","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027122","14.6671","0.0002","17.229","0.0002","20.9288","0.0003","90","","108.669","0.0006","90","","5010.41","0.12","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 O5 -","- C35 H24 O5 -","- C280 H192 O40 -","8","2","","Eriko Azuma; Naoko Nakamura; Kouji Kuramochi; Takahiro Sasamori; Norihiro Tokitoh; Ikuko Sagami; Kazunori Tsubaki","Exhaustive Syntheses of Naphthofluoresceins and Their Functions","Journal of Organic Chemistry","2012","77","","3492","3500","10.1021/jo300177b","","","0.71075","MoKα","","0.0568","0.0409","","","0.1046","0.1143","","","","","","1.018","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027123","11.8047","0.0017","13.2341","0.0019","33.916","0.005","90","","90","","90","","5298.5","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 4","1,3-bis(4-methoxyphenyl)-5-o-tolyl-1,3,5-triazinane-2,4,6-trione","","- C56 H50 N6 O13 -","- C56 H50 N6 O13 -","- C224 H200 N24 O52 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Atropisomers of Hindered Triarylisocyanurates: Structure, Conformation, Stereodynamics, and Absolute Configuration","Journal of Organic Chemistry","2012","77","","3373","3380","10.1021/jo300192n","","","0.71073","MoKα","","0.117","0.076","","","0.2014","0.2434","","","","","","1.04","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027124","12.8615","0.0001","19.9997","0.0004","20.5839","0.0002","83.399","0.003","76.527","0.0019","89.713","0.003","5113.57","0.13","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H138 B4 N8 O8 -","- C101 H137 B4 N8 O8 -","- C202 H274 B8 N16 O16 -","2","1","","Deborah A. Smithen; Alexander E. G. Baker; Matthew Offman; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson","Use of F-BODIPYs as a Protection Strategy for Dipyrrins: Optimization of BF2Removal","Journal of Organic Chemistry","2012","77","","3439","3453","10.1021/jo3002003","","","0.7107","MoKα","","","0.0667","","","","0.0715","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027125","10.4293","0.0011","11.126","0.0014","14.4551","0.0017","75.901","0.001","87.844","0.002","70.989","0.001","1536.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 Cl N2 Ni P -","- C35 H29 Cl N2 Ni P -","- C70 H58 Cl2 N4 Ni2 P2 -","2","1","","Xue-Qi Zhang; Zhong-Xia Wang","Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes","Journal of Organic Chemistry","2012","77","","3658","3663","10.1021/jo300209d","","","0.71073","MoKα","","0.0842","0.0498","","","0.1163","0.1266","","","","","","1.08","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027126","9.852","0.0009","13.7371","0.0014","14.6279","0.0016","111.06","0.002","93.101","0.001","106.545","0.001","1743.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H72 Cl2 N8 Ni2 P2 -","- C79 H72 Cl2 N8 Ni2 P2 -","- C79 H72 Cl2 N8 Ni2 P2 -","1","0.5","","Xue-Qi Zhang; Zhong-Xia Wang","Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes","Journal of Organic Chemistry","2012","77","","3658","3663","10.1021/jo300209d","","","0.71073","MoKα","","0.2567","0.0863","","","0.1811","0.211","","","","","","1.044","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027127","9.417","0.0018","12.514","0.003","16.573","0.004","88.219","0.01","75.86","0.01","80.763","0.01","1869.2","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","2","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0873","0.0633","","","0.1361","0.1458","","","","","","1.125","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027128","6.4584","0.0013","20.649","0.004","15.101","0.003","90","","101.92","0.03","90","","1970.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C96 H88 N16 O8 -","4","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.1003","0.0785","","","0.1348","0.1435","","","","","","1.225","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027129","7.486","0.002","11.283","0.003","12.414","0.004","80.341","0.0018","76.409","0.0014","73.277","0.0015","970.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0955","0.0761","","","0.1498","0.1616","","","","","","1.138","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027130","12.609","0.004","15.739","0.003","19.556","0.004","90","","93.38","0.003","90","","3874.2","1.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C192 H176 N32 O16 -","8","2","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0952","0.0814","","","0.1698","0.1784","","","","","","1.188","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027131","9.372","0.003","11.126","0.004","11.34","0.004","105.318","0.004","105.023","0.004","104.512","0.002","1034.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C50 H48 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0772","0.0657","","","0.1333","0.1396","","","","","","1.16","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027132","10.157","0.003","10.67","0.003","11.257","0.003","103.417","0.008","93.162","0.006","90.024","0.005","1184.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C60 H52 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0947","0.0756","","","0.1392","0.1475","","","","","","1.211","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027133","9.573","0.004","9.815","0.004","11.061","0.004","92.907","0.007","95.692","0.007","94.927","0.007","1028.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C50 H48 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0917","0.0687","","","0.1532","0.1684","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027134","21.102","0.005","12.56","0.003","22.259","0.006","90","","90","","90","","5900","3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C66 H68 N14 O5 -","- C66 H68 N14 O5 -","- C264 H272 N56 O20 -","4","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0903","0.0838","","","0.1543","0.1572","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027135","8.0278","0.0006","6.1571","0.0005","11.258","0.0007","90","","97.688","0.006","90","","551.46","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 Br O2 -","- C5 H3 Br O2 -","- C20 H12 Br4 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0265","0.0216","","","0.0482","0.0496","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027136","9.6302","0.0006","8.7399","0.0006","8.2353","0.0005","90","","105.658","0.005","90","","667.42","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 Br2 O2 -","- C5 H2 Br2 O2 -","- C20 H8 Br8 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0433","0.0349","","","0.0775","0.0809","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027137","10.664","0.003","13.107","0.003","3.9339","0.0009","90","","90","","90","","549.9","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H3 Br O2 -","- C5 H3 Br O2 -","- C20 H12 Br4 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0958","0.08","","","0.188","0.1938","","","","","","1.365","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027138","11.5399","0.0007","13.0173","0.0008","29.3178","0.0019","90","","95.778","0.005","90","","4381.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 B O2 Si2 -","- C18 H33 B O2 Si2 -","- C144 H264 B8 O16 Si16 -","8","2","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.1259","0.0546","","","0.1031","0.1231","","","","","","0.822","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027139","29.312","0.003","7.4728","0.0014","28.123","0.003","90","","116.015","0.008","90","","5536","1.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H42 Si4 -","- C24 H42 Si4 -","- C192 H336 Si32 -","8","2","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.1726","0.1204","","","0.2865","0.3277","","","","","","0.985","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027140","10.4103","0.0008","21.643","0.002","8.6754","0.0009","90","","90","","90","","1954.7","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H28 O Si2 -","- C19 H28 O Si2 -","- C76 H112 O4 Si8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0764","0.0646","","","0.1424","0.1478","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027141","6.5999","0.0007","9.3395","0.0011","16.733","0.0017","98.497","0.009","95.464","0.009","105.447","0.009","973.4","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O2 Si2 -","- C18 H25 N O2 Si2 -","- C36 H50 N2 O4 Si4 -","2","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0913","0.0529","","","0.1076","0.1192","","","","","","0.91","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027142","17.1101","0.0005","11.4517","0.0004","9.6085","0.0003","90","","97.391","0.002","90","","1867.04","0.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","0.5","","Eric A. Mercier; Chris D. Smith; Masood Parvez; Thomas G. Back","Cyclic Seleninate Esters as Catalysts for the Oxidation of Sulfides to Sulfoxides, Epoxidation of Alkenes, and Conversion of Enamines to α-Hydroxyketones","Journal of Organic Chemistry","2012","77","","3508","3517","10.1021/jo300313v","","","1.54178","CuKα","","0.0363","0.0351","","","0.0863","0.0871","","","","","","1.094","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027143","9.784","0.0006","10.6861","0.0006","11.7857","0.0007","63.081","0.006","72.433","0.005","85.632","0.005","1044.82","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O6 -","- C24 H26 O6 -","- C48 H52 O12 -","2","1","","Jens Cordes; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett","Palladium(0)-Catalyzed Allylic Alkylation of Diketoester-Dioxinones with Allyl Acetates under Neutral Conditions: Synthesis of Hexasubstituted Benzene Derivatives","Journal of Organic Chemistry","2012","77","","3524","3530","10.1021/jo300340c","","","0.71073","MoKα","","0.089","0.059","","","0.1313","0.147","","","","","","1.048","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027144","22.038","0.002","7.2524","0.0006","13.9045","0.0013","90","","90","","90","","2222.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23.5 H20 Cl N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","1","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.1013","0.0842","","","0.2394","0.2567","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027145","9.478","0.0009","18.043","0.0017","11.7865","0.0011","90","","97.428","0.003","90","","1998.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23 H19 N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","2","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.0754","0.0514","","","0.138","0.1798","","","","","","1.132","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027146","8.0539","0.0004","12.8886","0.0006","17.1903","0.0008","90","","90","","90","","1784.41","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.0332","0.0289","","","0.0655","0.0682","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027147","7.4432","0.0001","10.8946","0.0002","12.6718","0.0003","75.427","0.001","79.65","0.001","86.204","0.001","978.09","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N5 O2 -","- C21 H23 N5 O2 -","- C42 H46 N10 O4 -","2","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","1.54178","CuKα","","0.0474","0.0406","","","0.1088","0.1141","","","","","","1.048","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027148","8.474","0.0004","20.0572","0.001","10.7864","0.0005","90","","94.061","0.002","90","","1828.7","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N4 O -","- C19 H26 N4 O -","- C76 H104 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.0546","0.0472","","","0.1107","0.1165","","","","","","1.042","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027149","8.4538","0.001","20.032","0.002","10.7689","0.0012","90","","94.079","0.001","90","","1819.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N4 O -","- C19 H26 N4 O -","- C76 H104 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.1125","0.0595","","","0.1362","0.1653","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027150","18.1979","0.0013","11.8241","0.0009","20.1682","0.0014","90","","114.835","0.001","90","","3938.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","2","","Feng Sha; Luling Wu; Xian Huang","Chemo- and Regioselective Assembly of Polysubstituted Pyridines and Isoquinolines from Isocyanides, Arynes, and Terminal Alkynes","Journal of Organic Chemistry","2012","77","","3754","3765","10.1021/jo300072x","","","0.71073","MoKα","","0.09","0.0529","","","0.1244","0.139","","","","","","0.929","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027151","11.7361","0.0008","6.3813","0.0005","17.5262","0.0014","90","","104.237","0.003","90","","1272.25","0.17","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Klaus Bjerglund; Anders T. Lindhardt; Troels Skrydstrup","Palladium-Catalyzed N-Acylation of Monosubstituted Ureas Using Near-Stoichiometric Carbon Monoxide","Journal of Organic Chemistry","2012","77","","3793","3799","10.1021/jo3000767","","x-ray","0.71073","MoKα","","0.0824","0.0472","","","0.111","0.1251","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027152","9.4223","0.0004","12.535","0.0007","14.9465","0.0008","90","","90","","90","","1765.31","0.16","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl O3 -","- C18 H21 Cl O3 -","- C72 H84 Cl4 O12 -","4","1","","Yangbin Liu; Xiaohua Liu; Min Wang; Peng He; Lili Lin; Xiaoming Feng","Enantioselective Synthesis of 3,4-Dihydropyran Derivatives via Organocatalytic Michael Reaction of α,β-Unsaturated Enones","Journal of Organic Chemistry","2012","77","","4136","4142","10.1021/jo3001047","","","0.7107","MoKα","","0.0708","0.0465","","","0.0871","0.1","","","","","","1.05","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027153","5.6262","0.0015","10.04","0.003","12.165","0.003","95.51","0.004","90.569","0.006","100.99","0.007","671.2","0.3","98","2","98","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","","Nicole M. Cain; Edward R. T. Tiekink; Dennis K. Taylor","Ozonolysis of Bicyclic 1,2-Dioxines: Initial Scope and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","3808","3819","10.1021/jo3001518","","","0.71073","MoKα","","0.0593","0.0528","","","0.1388","0.1454","","","","","","1.03","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027154","10.686","0.003","7.0118","0.0019","16.046","0.005","90","","107.784","0.003","90","","1144.8","0.6","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O5 -","- C11 H18 O5 -","- C44 H72 O20 -","4","1","","Nicole M. Cain; Edward R. T. Tiekink; Dennis K. Taylor","Ozonolysis of Bicyclic 1,2-Dioxines: Initial Scope and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","3808","3819","10.1021/jo3001518","","","0.71073","MoKα","","0.047","0.044","","","0.112","0.115","","","","","","1.06","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027155","10.15","0.006","13.718","0.008","26.178","0.015","90","","90","","90","","3645","4","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Jaideep Saha; Chris Lorenc; Bikash Surana; Mark W. Peczuh","Discovery of a Phosphine-Mediated Cycloisomerization of Alkynyl Hemiketals: Access to Spiroketals and Dihydropyrazoles via Tandem Reactions","Journal of Organic Chemistry","2012","77","","3846","3858","10.1021/jo3001854","","","0.71075","MoKα","","","0.0765","","","","0.1871","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027156","6.9074","0.0014","8.0365","0.0016","12.211","0.002","101.66","0.03","92.96","0.03","96.79","0.03","657.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N O S -","- C7 H5 N O S -","- C28 H20 N4 O4 S4 -","4","2","","Fei Wang; Chao Chen; Geng Deng; Chanjuan Xi","Concise Approach to Benzisothiazol-3(2H)-one via Copper-Catalyzed Tandem Reaction of o-Bromobenzamide and Potassium Thiocyanate in Water","Journal of Organic Chemistry","2012","77","","4148","4151","10.1021/jo300250x","","","0.71073","MoKα","","0.0511","0.0463","","","0.125","0.1333","","","","","","0.574","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027157","6.0223","0.0012","15.207","0.003","22.588","0.005","90","","93.22","0.03","90","","2065.4","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N2 O5 -","- C23 H17 Cl N2 O5 -","- C92 H68 Cl4 N8 O20 -","4","2","","Yan Wang; Li Liu; Tao Zhang; Neng-Jun Zhong; Dong Wang; Yong-Jun Chen","Diastereo- and Enantioselective [3 + 2] Cycloaddition Reaction of Morita-Baylis-Hillman Carbonates of Isatins with N-Phenylmaleimide Catalyzed by Me-DuPhos","Journal of Organic Chemistry","2012","77","","4143","4147","10.1021/jo3002535","","","0.71073","MoKα","","0.0727","0.0646","","","0.1257","0.1313","","","","","","1.122","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027158","12.9522","0.0005","5.9178","0.0002","14.1782","0.0005","90","","115.842","0.002","90","","978.06","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.054","0.0398","","","0.0926","0.1151","","","","","","1.118","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027159","8.992","0.009","12.614","0.012","17.079","0.016","90","","90","","90","","1937","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.1337","0.0822","","","0.195","0.2338","","","","","","1","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027160","12.252","0.004","19.841","0.009","15.137","0.004","90","","97.94","0.02","90","","3644","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","syn-3f_diastereomer","(3RS,4RS)-N-Boc-3-amino-2-methyldec-5-yn-4-ol","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C128 H232 N8 O24 -","8","1","","Bartolo Gabriele; Lucia Veltri; Raffaella Mancuso; Giuseppe Salerno; Sabino Maggi; Brunella Maria Aresta","A Palladium Iodide-Catalyzed Carbonylative Approach to Functionalized Pyrrole Derivatives","Journal of Organic Chemistry","2012","77","","4005","4016","10.1021/jo300365n","","","0.71073","MoKα","","0.1932","0.0746","","","0.1487","0.1969","","","","","","1.014","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027161","8.9106","0.0018","9.2084","0.0018","15.012","0.003","72.43","0.03","79.1","0.03","75.78","0.03","1129.5","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Le Liu; Yanfeng Fan; Qiaoqiao He; Yun Zhang; Daisy Zhang-Negrerie; Jianhui Huang; Yunfei Du; Kang Zhao","Synthesis of Functionalized Fluorescent Indenes from Electron-Rich α-Aryl Ketonitriles","Journal of Organic Chemistry","2012","77","","3997","4004","10.1021/jo300367q","","","0.71073","MoKα","","0.0455","0.035","","","0.0934","0.0984","","","","","","1","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027162","7.2538","0.0003","11.4105","0.0006","17.027","0.0008","90","","90","","90","","1409.32","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl F N -","- C14 H21 Cl F N -","- C56 H84 Cl4 F4 N4 -","4","1","","Julia A. Kalow; Dana E. Schmitt; Abigail G. Doyle","Synthesis of β-Fluoroamines by Lewis Base Catalyzed Hydrofluorination of Aziridines","Journal of Organic Chemistry","2012","77","","4177","4183","10.1021/jo300433a","","","1.54178","CuKα","","0.0199","0.0198","","","0.06","0.0601","","","","","","1.085","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027163","9.254","0.003","13.146","0.004","14.214","0.004","90","","90","","90","","1729.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0542","0.0427","","","0.1018","0.1082","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027164","8.955","0.006","12.502","0.008","14.974","0.008","90","","90","","90","","1676.4","1.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.1185","0.0619","","","0.1206","0.1394","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027165","8.0971","0.0019","13.771","0.003","16.156","0.004","90","","90","","90","","1801.5","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C68 H88 Br4 N4 O8 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0605","0.037","","","0.0694","0.0758","","","","","","1.036","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027166","7.878","0.002","14.177","0.004","8.466","0.002","90","","104.818","0.004","90","","914.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C34 H44 Br2 N2 O4 S2 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0735","0.047","","","0.093","0.1017","","","","","","1.027","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027167","8.0082","0.0011","14.727","0.002","14.749","0.002","90","","90","","90","","1739.4","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.077","0.0527","","","0.1179","0.1301","","","","","","1.032","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027168","10.9764","0.0017","5.7842","0.0009","13.26","0.002","90","","111.283","0.002","90","","784.5","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0402","0.0394","","","0.1069","0.1085","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027169","13.427","0.003","11.024","0.0019","18.258","0.003","90","","108.236","0.003","90","","2566.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 O2 S -","- C32 H26 N2 O2 S -","- C128 H104 N8 O8 S4 -","4","1","","Li-Rong Wen; Yong-Jie Shi; Guang-Yuan Liu; Ming Li","Modulating the Reactivity of Functionalized N,S-Ketene Acetal in MCR: Selective Synthesis of Tetrahydropyridines and Thiochromeno[2,3-b]pyridines via DABCO-Catalyzed Tandem Annulation","Journal of Organic Chemistry","2012","77","","4252","4260","10.1021/jo202665q","","","0.71073","MoKα","","0.0625","0.0562","","","0.1096","0.1131","","","","","","1.17","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027170","9.5186","0.0018","17.509","0.004","15.532","0.003","90","","92.392","0.003","90","","2586.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 Cl2 N2 O2 S -","- C31 H20 Cl2 N2 O2 S -","- C124 H80 Cl8 N8 O8 S4 -","4","1","","Li-Rong Wen; Yong-Jie Shi; Guang-Yuan Liu; Ming Li","Modulating the Reactivity of Functionalized N,S-Ketene Acetal in MCR: Selective Synthesis of Tetrahydropyridines and Thiochromeno[2,3-b]pyridines via DABCO-Catalyzed Tandem Annulation","Journal of Organic Chemistry","2012","77","","4252","4260","10.1021/jo202665q","","","0.71073","MoKα","","0.0688","0.0606","","","0.1286","0.1339","","","","","","1.16","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027171","8.1755","0.0011","24.597","0.003","10.5038","0.0014","90","","96.984","0.003","90","","2096.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","","Chun-Fang Wu; Xin Zhao; Wen-Xian Lan; Chunyang Cao; Jin-Tao Liu; Xi-Kui Jiang; Zhan-Ting Li","A 1,4-Diphenyl-1,2,3-Triazole-Based β-Turn Mimic Constructed by Click Chemistry","Journal of Organic Chemistry","2012","77","","4261","4270","10.1021/jo300063u","","","0.71073","MoKα","","0.1157","0.0647","","","0.1687","0.1925","","","","","","0.928","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027172","26.1638","0.0012","13.1605","0.0004","14.4032","0.0006","90","","118.224","0.005","90","","4369.8","0.4","293","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N4 O10 S4 -","- C23 H20 N2 O5 S2 -","- C184 H160 N16 O40 S16 -","8","1","","Margherita Barbero; Silvano Cadamuro; Fabrizio Cauda; Stefano Dughera; Giuliana Gervasio; Paolo Venturello","Preparation and Characterization of Aryl or Heteroaryl(3-indolyl)methyliumo-Benzenedisulfonimides","Journal of Organic Chemistry","2012","77","","4278","4287","10.1021/jo300099y","","","0.7107","MoKα","","0.1588","0.041","","","0.0817","0.0961","","","","","","0.821","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027173","15.393","0.002","10.506","0.0017","15.698","0.003","90","","95.853","0.002","90","","2525.4","0.7","150","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Br2 Cl2 In2 O4 -","- C16 H32 Br2 Cl2 In2 O4 -","- C64 H128 Br8 Cl8 In8 O16 -","4","1","","Lacie C. Hirayama; Terra D. Haddad; Allen G. Oliver; Bakthan Singaram","Direct Synthesis of B-Allyl and B-Allenyldiisopinocampheylborane Reagents Using Allyl or Propargyl Halides and Indium Metal Under Barbier-Type Conditions","Journal of Organic Chemistry","2012","77","","4342","4353","10.1021/jo300260a","","","0.71073","MoKα","","0.0596","0.0433","","","0.1082","0.1186","","","","","","1.027","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027174","35.7085","0.0018","9.474","0.0005","32.0035","0.0016","90","","106.182","0.004","90","","10397.9","0.9","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound 5","2,11-bis-(CC-C6H4-I-3),-3,6,7,10-tetra-OC6H13-triphenylene","","- C58 H66 I2 O4 -","- C58 H66 I2 O4 -","- C464 H528 I16 O32 -","8","1","","Liang Zhang; David L. Hughes; Andrew N. Cammidge","Discotic Triphenylene Twins Linked through Thiophene Bridges: Controlling Nematic Behavior in an Intriguing Class of Functional Organic Materials","Journal of Organic Chemistry","2012","77","","4288","4297","10.1021/jo3002886","","","0.71073","Mo-Kα","","0.1808","0.1477","","","0.2102","0.2219","","","","","","1.348","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027175","22.5705","0.0017","22.5705","0.0017","8.0007","0.0006","90","","90","","90","","4075.8","0.5","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C184 H200 N8 O24 S8 -","8","1","","Nicolas Kern; Aurélien Blanc; Solène Miaskiewicz; Michelle Robinette; Jean-Marc Weibel; Patrick Pale","Coinage Metals-Catalyzed Cascade Reactions of Aryl Alkynylaziridines: Silver(I)-Single vs Gold(I)-Double Cyclizations","Journal of Organic Chemistry","2012","77","","4323","4341","10.1021/jo300294r","","","0.71073","MoKα","","0.1159","0.0597","","","0.1203","0.1413","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027176","7.4418","0.0009","9.7027","0.0012","16.862","0.002","90","","90","","90","","1217.5","0.3","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","","Xiaofei Sun; Xingzhao Tu; Chuan Dai; Xiaoping Zhang; Binbin Zhang; Qingle Zeng","Palladium-Catalyzed C-N Cross Coupling of Sulfinamides and Aryl Halides","Journal of Organic Chemistry","2012","77","","4454","4459","10.1021/jo3003584","","","0.7107","MoKα","","0.0576","0.0428","","","0.0836","0.0916","","","","","","1.099","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027177","20.608","0.005","9.544","0.002","15.325","0.004","90","","90","","90","","3014.2","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H16 N O3 -","- C17 H16 N O3 -","- C136 H128 N8 O24 -","8","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1361","0.0803","","","0.1989","0.2305","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027178","9.425","0.002","9.795","0.002","19.043","0.005","88.577","0.005","76.249","0.004","74.04","0.004","1640.3","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1294","0.0668","","","0.1685","0.2066","","","","","","1.036","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027179","13.176","0.003","7.9947","0.0016","17.487","0.004","90","","98.144","0.004","90","","1823.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1682","0.0649","","","0.1337","0.1688","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027180","8.584","0.004","9.358","0.004","30.734","0.013","90","","93.044","0.008","90","","2465.4","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N O7 -","- C25 H32 N O7 -","- C100 H128 N4 O28 -","4","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1099","0.0756","","","0.2058","0.2326","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027181","9.6045","0.0005","17.108","0.0007","11.7885","0.0005","90","","97.614","0.004","90","","1919.93","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","","Abdolali Alizadeh; Atieh Rezvanian; Long-Guan Zhu","Synthesis of Heterocyclic [3.3.3]Propellanes via a Sequential Four-Component Reaction","Journal of Organic Chemistry","2012","77","","4385","4390","10.1021/jo300457m","","","0.71073","MoKα","","0.1026","0.0784","","","0.224","0.2532","","","","","","0.986","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027182","9.9784","0.0005","13.6537","0.0007","14.6285","0.0007","90","","104.214","0.005","90","","1932","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O6 -","- C21 H19 N3 O6 -","- C84 H76 N12 O24 -","4","1","","Abdolali Alizadeh; Atieh Rezvanian; Long-Guan Zhu","Synthesis of Heterocyclic [3.3.3]Propellanes via a Sequential Four-Component Reaction","Journal of Organic Chemistry","2012","77","","4385","4390","10.1021/jo300457m","","","0.71073","MoKα","","0.0528","0.0371","","","0.0961","0.1095","","","","","","0.91","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027183","9.543","0.012","10.96","0.013","27.61","0.03","90","","90","","90","","2888","6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Br Cl2 N O3 -","- C31 H32 Br Cl2 N O3 -","- C124 H128 Br4 Cl8 N4 O12 -","4","1","","Jing Nie; Ming-Qing Hua; Heng-Ying Xiong; Yan Zheng; Jun-An Ma","Asymmetric Phase-Transfer-Catalyzed Conjugate Addition of Glycine Imine to Exocyclic α,β-Unsaturated Ketones: Construction of Polycyclic Imines Containing Three Stereocenters","Journal of Organic Chemistry","2012","77","","4209","4216","10.1021/jo300500r","","","0.71073","MoKα","","0.1514","0.1261","","","0.3521","0.3733","","","","","","1.301","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027184","22.202","0.005","5.6791","0.0011","16.357","0.003","90","","103.799","0.014","90","","2002.9","0.7","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H23 N -","- C27 H23 N -","- C108 H92 N4 -","4","1","","Yilin Liu; Ziping Cao; Haifeng Du","Asymmetric Allylic Alkylation of Pyrroles and 4,7-Dihydroindoles with Alkene-Phosphine Ligands","Journal of Organic Chemistry","2012","77","","4479","4483","10.1021/jo300539y","","","1.54186","CuKα","","0.083","0.0649","","","0.1406","0.1529","","","","","","1.141","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027185","10.0388","0.0003","18.6942","0.0005","10.7459","0.0003","90","","98.576","0.001","90","","1994.11","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0596","0.0388","","","0.096","0.1073","","","","","","1.04","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027186","14.6915","0.0018","12.6135","0.0016","11.3554","0.0014","90","","104.313","0.001","90","","2039","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0746","0.0454","","","0.1112","0.1283","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027187","7.924","0.003","9.569","0.004","13.406","0.005","74.476","0.004","80.638","0.004","77.042","0.004","948.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 F O3 -","- C16 H25 F O3 -","- C32 H50 F2 O6 -","2","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0774","0.0502","","","0.1309","0.1436","","","","","","1.002","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027188","7.8181","0.001","10.983","0.0013","11.1607","0.0015","89.577","0.015","79.907","0.015","80.382","0.015","930","0.2","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C40 H44 N8 O4 S2 -","2","1","","Gwenaelle Bouscary-Desforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Access and Regioselective Transformations of 6-Substituted 4-Aryl-2,8-dichloropyrido[3,2-d]pyrimidine Compounds","Journal of Organic Chemistry","2012","77","","4586","4595","10.1021/jo300189q","","","0.71073","MoKα","","","0.036","","","","0.035","","","","","","1.16","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027189","10.2751","0.0003","11.4027","0.0002","13.4566","0.0004","90","","112.131","0.004","90","","1460.47","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54184","CuKα","","","0.0624","","","","0.1914","","","","","","1.051","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027190","9.6033","0.0006","13.7896","0.0008","11.3522","0.0006","90","","90","","90","","1503.32","0.15","293","2","293","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54179","CuKα","","","0.0867","","","","0.2807","","","","","","1.068","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027191","12.2521","0.0002","12.6316","0.0002","9.1798","0.0001","90","","90","","90","","1420.7","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54184","CuKα","","","0.0373","","","","0.101","","","","","","1.051","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027192","10.5574","0.0006","17.5629","0.0011","18.0754","0.0011","65.971","0.003","83.37","0.003","85.089","0.003","3037.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H95 N7 O25 -","- C51 H93 N7 O25 -","- C102 H186 N14 O50 -","2","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Dicarboxylate Recognition by Two Macrobicyclic Receptors: Selectivity for Fumarate over Maleate","Journal of Organic Chemistry","2012","77","","4611","4621","10.1021/jo300320w","","","0.71073","MoKα","","0.0625","0.0454","","","0.1236","0.1367","","","","","","1.05","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027193","14.1666","0.0005","23.7321","0.0009","22.6743","0.0008","90","","93.267","0.002","90","","7610.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H98 N7 O32.5 -","- C55.5 H75 N7 O32.5 -","- C222 H300 N28 O130 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Dicarboxylate Recognition by Two Macrobicyclic Receptors: Selectivity for Fumarate over Maleate","Journal of Organic Chemistry","2012","77","","4611","4621","10.1021/jo300320w","","","0.71073","MoKα","","0.1253","0.0904","","","0.2624","0.2953","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027194","10.68","0.03","15.07","0.06","15.07","0.06","64.99","0.02","78.7","0.02","78.7","0.02","2138","13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N O4.5 S -","- C23 H26 N O4.5 S -","- C92 H104 N4 O18 S4 -","4","2","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.051","","","","0.124","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027195","11.143","0.003","12.249","0.003","15.112","0.004","90","","94.278","0.008","90","","2056.9","0.9","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.042","","","","0.055","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027196","7.98","0.002","20.081","0.006","12.971","0.004","90","","90.084","0.009","90","","2078.6","1","140","","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.71075","MoKα","","0.1025","0.0806","","","0.2453","0.2693","","","","","","1.101","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027197","15.198","0.011","15.97","0.02","18.368","0.013","90","","97.46","0.005","90","","4420","7","150.1","","150.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 Cl2 N2 O8 S2 -","- C47 H52 Cl2 N2 O8 S2 -","- C188 H208 Cl8 N8 O32 S8 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.066","","","","0.166","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027198","11.064","0.007","15.26","0.01","14.585","0.01","90","","100.06","0.02","90","","2425","3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl3 N O4 S -","- C24 H25 Cl3 N O4 S -","- C96 H100 Cl12 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.71075","MoKα","","","0.1498","","","","0.3072","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027199","7.149","0.005","9.428","0.006","14.029","0.01","78.84","0.03","78.62","0.03","80.2","0.03","900.8","1.1","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N -","- C28 H15 N -","- C56 H30 N2 -","2","1","","Tomohito Ide; Sho Sakamoto; Daisuke Takeuchi; Kohtaro Osakada; Shigeru Machida","Strained and Unstrained Macrocycles Composed of Carbazole and Butadiyne Units: Electronic State and Optical Properties","Journal of Organic Chemistry","2012","77","","4837","4841","10.1021/jo300441k","","","0.7107","MoKα","","","0.0758","","","","0.207","","","","","","1.825","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027200","8.413","0.004","11.5095","0.0013","21.036","0.003","90","","90","","90","","2036.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O2 S -","- C23 H24 N2 O2 S -","- C92 H96 N8 O8 S4 -","4","1","","Damien Cartigny; Farouk Berhal; Takuto Nagano; Phannarath Phansavath; Tahar Ayad; Jean-Pierre Genêt; Takashi Ohshima; Kazushi Mashima; Virginie Ratovelomanana-Vidal","General Asymmetric Hydrogenation of 2-Alkyl- and 2-Aryl-Substituted Quinoxaline Derivatives Catalyzed by Iridium-Difluorphos: Unusual Halide Effect and Synthetic Application","Journal of Organic Chemistry","2012","77","","4544","4556","10.1021/jo300455y","","","1.54184","CuKα","","0.0442","0.0375","","","0.0972","0.1023","","","","","","1.032","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027201","16.1291","0.0016","7.6863","0.0007","16.5264","0.0016","90","","118.686","0.002","90","","1797.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Manjinder S. Lall; Garrett Hoge; Tuan P. Tran; William Kissel; Sean T. Murphy; Clarke Taylor; Kim Hutchings; Brian Samas; Edmund L. Ellsworth; Timothy Curran; H. D. Hollis Showalter","Stereoselective Synthesis of (S)-3-(Methylamino)-3-((R)-pyrrolidin-3-yl)propanenitrile","Journal of Organic Chemistry","2012","77","","4732","4739","10.1021/jo3004716","","","0.71073","MoKα","","0.107","0.0605","","","0.1249","0.1441","","","","","","1.046","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027202","13.7269","0.001","11.5617","0.0008","15.2996","0.0011","90","","98.286","0.002","90","","2402.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 F3 N2 O4 -","- C25 H29 F3 N2 O4 -","- C100 H116 F12 N8 O16 -","4","1","","James C. Anderson; Alexander J. Blake; Paul J. Koovits; Gregory J. Stepney","Diastereoselective Reductive Nitro-Mannich Reactions","Journal of Organic Chemistry","2012","77","","4711","4724","10.1021/jo300535h","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.11","","","","","","0.99","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027203","10.8003","0.0008","15.5619","0.0011","13.3428","0.001","90","","98.359","0.002","90","","2218.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 N2 O5 -","- C23 H21 F3 N2 O5 -","- C92 H84 F12 N8 O20 -","4","1","","James C. Anderson; Alexander J. Blake; Paul J. Koovits; Gregory J. Stepney","Diastereoselective Reductive Nitro-Mannich Reactions","Journal of Organic Chemistry","2012","77","","4711","4724","10.1021/jo300535h","","","0.71073","MoKα","","0.0532","0.0476","","","0.132","0.137","","","","","","1.05","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027204","11.0621","0.0005","17.185","0.0007","19.0239","0.0008","90","","90","","90","","3616.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Br N2 P Pd -","- C45 H38 Br N2 P Pd -","- C180 H152 Br4 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0719","0.0462","","","0.0917","0.0995","","","","","","1.044","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027205","11.0806","0.0006","16.439","0.0009","11.2749","0.0007","90","","114.756","0.001","90","","1865.03","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H35 Cl6 N2 P Pd -","- C37 H35 Cl6 N2 P Pd -","- C74 H70 Cl12 N4 P2 Pd2 -","2","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0311","0.0284","","","0.0594","0.0602","","","","","","0.997","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027206","8.2495","0.0003","15.617","0.0005","21.9201","0.0006","90","","90","","90","","2824.02","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Cl2 N2 P Pd -","- C29 H35 Cl2 N2 P Pd -","- C116 H140 Cl8 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0347","0.0306","","","0.0687","0.0709","","","","","","1.017","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027207","10.998","0.002","13.506","0.003","10.615","0.002","90","","104.76","0.03","90","","1524.7","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0696","0.0615","","","0.122","0.1268","","","","","","1.156","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027208","12.119","0.002","12.595","0.003","17.064","0.005","90","","131.633","0.018","90","","1946.7","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I O2 -","- C21 H27 I O2 -","- C84 H108 I4 O8 -","4","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0618","0.0501","","","0.0954","0.0995","","","","","","1.228","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027209","10.696","0.002","10.81","0.002","21.42","0.004","87.582","0.009","87.472","0.009","66.488","0.005","2268","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Li2 O5 -","- C52 H62 Li2 O5 -","- C104 H124 Li4 O10 -","2","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0943","0.0823","","","0.1783","0.1866","","","","","","1.146","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027210","36.7114","0.0004","36.7114","0.0004","6.5334","0.0001","90","","90","","90","","8805.24","0.19","120","2","120","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H26 N2 O8 -","- C19 H26 N2 O8 -","- C304 H416 N32 O128 -","16","2","","Jory Lietard; Christian J. Leumann","Synthesis, Pairing, and Cellular Uptake Properties of C(6')-Functionalized Tricyclo-DNA","Journal of Organic Chemistry","2012","77","","4566","4577","10.1021/jo300648u","","","0.71073","MoKα","","0.1122","0.076","","","0.1836","0.2037","","","","","","1.026","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027211","7.4477","0.0003","12.7681","0.0005","19.9691","0.0007","99.9974","0.0015","94.1978","0.0014","98.252","0.002","1841.32","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","5a","5a","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","2","","Shuhei Azuma; Kazuyuki Nishio; Konomi Kubo; Takahiro Sasamori; Norihiro Tokitoh; Kouji Kuramochi; Kazunori Tsubaki","Three Different Dimerizations of 2-Bromo-3-methyl-1,4-naphthoquinones","Journal of Organic Chemistry","2012","77","","4812","4820","10.1021/jo300696m","","","0.71075","MoKα","","0.0683","0.0426","","","0.0934","0.1052","","","","","","1.014","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027212","7.7643","0.0002","8.4551","0.0004","14.7234","0.0007","78.003","0.002","82.8791","0.0015","62.504","0.0018","838.22","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","8a","8a","","- C22 H13 Br O4 -","- C22 H13 Br O4 -","- C44 H26 Br2 O8 -","2","1","","Shuhei Azuma; Kazuyuki Nishio; Konomi Kubo; Takahiro Sasamori; Norihiro Tokitoh; Kouji Kuramochi; Kazunori Tsubaki","Three Different Dimerizations of 2-Bromo-3-methyl-1,4-naphthoquinones","Journal of Organic Chemistry","2012","77","","4812","4820","10.1021/jo300696m","","","0.71075","MoKα","","0.0319","0.0271","","","0.0635","0.0651","","","","","","1.066","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027213","13.3456","0.0017","13.9614","0.0018","17.993","0.002","80.542","0.004","76.244","0.004","81.536","0.004","3191.6","0.7","142","2","142","2","","","","","","","","8","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O2 P -","- C63 H54 B F24 Ir N O2 P -","- C126 H108 B2 F48 Ir2 N2 O4 P2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0702","0.0613","","","0.1567","0.1643","","","","","","1.075","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027214","18.343","0.003","19.435","0.004","36.805","0.007","90","","90","","90","","13121","4","122","2","122","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C64 H56 B F24 Ir N O2 P -","- C64 H56 B F24 Ir N O2 P -","- C512 H448 B8 F192 Ir8 N8 O16 P8 -","8","1","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0459","0.0354","","","0.0741","0.0775","","","","","","1.038","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027215","13.3687","0.0003","13.9471","0.0002","18.1489","0.0004","80.297","0.001","75.627","0.001","81.943","0.001","3213.96","0.11","152","2","152","2","","","","","","","","9","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O P S -","- C63 H54 B F24 Ir N O P S -","- C126 H108 B2 F48 Ir2 N2 O2 P2 S2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0547","0.0451","","","0.1189","0.1243","","","","","","1.045","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027216","7.2223","0.0006","8.8729","0.0007","10.2165","0.0008","97.124","0.007","97.815","0.007","106.878","0.008","611.38","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O3 -","- C12 H20 O3 -","- C24 H40 O6 -","2","1","","Björn Nelson; Sonja Herres-Pawlis; Wolf Hiller; Hans Preut; Carsten Strohmann; Martin Hiersemann","Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes: A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle","Journal of Organic Chemistry","2012","77","","4980","4995","10.1021/jo3004088","","","0.71073","MoKα","","0.0481","0.0372","","","0.0993","0.1024","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027217","9.0823","0.0009","11.2934","0.0007","11.7674","0.0016","87.965","0.007","72.478","0.01","77.756","0.007","1124.3","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H36 O6 -","- C22 H36 O6 -","- C44 H72 O12 -","2","1","","Björn Nelson; Sonja Herres-Pawlis; Wolf Hiller; Hans Preut; Carsten Strohmann; Martin Hiersemann","Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes: A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle","Journal of Organic Chemistry","2012","77","","4980","4995","10.1021/jo3004088","","","0.71073","MoKα","","0.1234","0.0674","","","0.2488","0.258","","","","","","1.181","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4027218","6.4296","0.001","11.576","0.002","13.443","0.003","88.587","0.011","77.275","0.009","75.406","0.01","944","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Indoline","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C44 H38 N2 O6 S2 -","2","1","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0518","0.0425","","","0.1186","0.131","","","","","","0.717","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027219","9.8549","0.001","12.8504","0.0013","15.1652","0.0015","88.796","0.005","74.623","0.005","86.501","0.005","1848.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Indole","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0723","0.0498","","","0.1401","0.1628","","","","","","0.872","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027220","11.5728","0.0013","13.8184","0.0016","14.6931","0.0016","90","","97.691","0.005","90","","2328.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetrahydroquinoline","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C100 H88 F12 N4 O12 S4 -","4","1","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0818","0.0705","","","0.2407","0.2524","","","","","","1.931","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027221","52.736","0.005","8.718","0.002","8.401","0.002","90","","95.568","0.005","90","","3844.2","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 B F2 N3 O3 -","- C19 H24 B F2 N3 O3 -","- C152 H192 B8 F16 N24 O24 -","8","1","","Gilles Ulrich; Alexandre Haefele; Pascal Retailleau; Raymond Ziessel","Carbonyl Derivatives of Boradiazaindacene via Catalytic CO Insertion","Journal of Organic Chemistry","2012","77","","5036","5048","10.1021/jo300477p","","","0.71069","MoKα","","0.0875","0.0605","","","0.1519","0.1738","","","","","","1.055","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027222","7.702","0.002","11.706","0.003","17.463","0.005","106.33","0.008","96.692","0.005","92.331","0.005","1496.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H35 B F2 N2 O4 -","- C33 H35 B F2 N2 O4 -","- C66 H70 B2 F4 N4 O8 -","2","1","","Gilles Ulrich; Alexandre Haefele; Pascal Retailleau; Raymond Ziessel","Carbonyl Derivatives of Boradiazaindacene via Catalytic CO Insertion","Journal of Organic Chemistry","2012","77","","5036","5048","10.1021/jo300477p","","","0.71069","MoKα","","0.1309","0.0947","","","0.2305","0.2481","","","","","","1.148","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027223","4.05","0.0013","16.162","0.005","5.946","0.002","90","","94.298","0.018","90","","388.1","0.2","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C20 H16 O4 -","2","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0682","0.0534","","","0.1423","0.1518","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027224","7.5014","0.0003","11.778","0.0005","16.6978","0.0006","109.783","0.002","96.555","0.002","95.722","0.002","1363.95","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H48 O10 -","- C75 H48 O10 -","- C75 H48 O10 -","1","0.5","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0847","0.0739","","","0.1633","0.1674","","","","","","1.246","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027225","7.23","0.0003","11.86","0.0004","11.276","0.0005","90","","96.494","0.002","90","","960.69","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","2","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0741","0.0606","","","0.1805","0.2005","","","","","","1.093","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027226","13.7031","0.0006","11.587","0.0006","9.2497","0.0006","90","","103.61","0.002","90","","1427.41","0.13","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0923","0.052","","","0.1356","0.1951","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027227","12.7013","0.0016","13.3293","0.0016","15.6503","0.0019","90","","106.462","0.007","90","","2541","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O2 -","- C28 H26 N4 O2 -","- C112 H104 N16 O8 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.2668","0.0628","","","0.1382","0.2161","","","","","","0.804","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027228","9.8152","0.0006","10.6246","0.0005","17.8012","0.0008","90","","90","","90","","1856.35","0.17","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H15 Cl2 N3 O -","- C20 H15 Cl2 N3 O -","- C80 H60 Cl8 N12 O4 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0809","0.0452","","","0.1166","0.138","","","","","","0.836","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027229","9.2005","0.0005","12.503","0.0006","17.8158","0.0009","90","","90","","90","","2049.42","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.1198","0.0473","","","0.0884","0.1069","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027230","19.1122","0.0016","12.5233","0.001","7.4703","0.0006","90","","100.455","0.004","90","","1758.3","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","0.5","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0602","0.0512","","","0.1541","0.1651","","","","","","1.281","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027231","9.8369","0.0015","4.7221","0.0008","11.647","0.0018","90","","91.268","0.01","90","","540.88","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0381","0.0351","","","0.0864","0.0887","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027232","5.8381","0.0013","11.958","0.003","12.782","0.003","106.642","0.019","92.54","0.02","91.559","0.019","853.4","0.4","298","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Cl2 N3 -","- C20 H13 Cl2 N3 -","- C40 H26 Cl4 N6 -","2","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.1106","0.0811","","","0.2055","0.2311","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027233","20.0342","0.0007","8.4347","0.0003","6.9512","0.0002","90","","95.392","0.002","90","","1169.43","0.07","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 F N2 O4 -","- C12 H15 F N2 O4 -","- C48 H60 F4 N8 O16 -","4","1","","Punit P. Seth; Jinghua Yu; Ali Jazayeri; Pradeep S. Pallan; Charles R Allerson; Michael E. Østergaard; Fengwu Liu; Piet Herdewijn; Martin Egli; Eric E. Swayze","Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA","Journal of Organic Chemistry","2012","77","","5074","5085","10.1021/jo300594b","","","1.54178","CuKα","","0.0254","0.0249","","","0.0645","0.0649","","","","","","1.054","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027234","9.5109","0.0012","17.89","0.002","10.9068","0.0013","90","","99.108","0.002","90","","1832.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Xiao-Dan Han; Yu-Long Zhao; Jia Meng; Chuan-Qing Ren; Qun Liu","Synthesis of Acridines and Persubstituted Phenols from Cyclobutenones and Active Methylene Ketones","Journal of Organic Chemistry","2012","77","","5173","5178","10.1021/jo300615t","","","0.71073","MoKα","","0.1289","0.072","","","0.1749","0.2117","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027235","9.7188","0.0009","9.6693","0.0009","22.025","0.002","90","","90.29","0.001","90","","2069.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","","Xiao-Dan Han; Yu-Long Zhao; Jia Meng; Chuan-Qing Ren; Qun Liu","Synthesis of Acridines and Persubstituted Phenols from Cyclobutenones and Active Methylene Ketones","Journal of Organic Chemistry","2012","77","","5173","5178","10.1021/jo300615t","","","0.71073","MoKα","","0.0495","0.0386","","","0.0953","0.1025","","","","","","1.054","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027236","11.6744","0.0011","18.397","0.0011","7.8711","0.0007","90","","114.956","0.004","90","","1532.7","0.2","293.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C56 H80 O32 -","4","1","","Arif Baran; Sinem Çambul; Mehmet Nebioglu; Metin Balci","Design, Synthesis, and Biological Activities of Some Branched Carbasugars: Construction of a Substituted 6-Oxabicyclo[3.2.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","5086","5097","10.1021/jo300655p","","","0.7107","MoKα","","","0.059","","","","0.083","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027237","4.8321","0.0007","21.157","0.003","6.4661","0.0009","90","","95.816","0.003","90","","657.64","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 S -","- C12 H13 O5 S -","- C24 H26 O10 S2 -","2","1","","Antonio Latorre; Irakusne López; Victoria Ramírez; Santiago Rodríguez; Javier Izquierdo; Florenci V. González; Cristian Vicent","Radical Mechanism in the Elimination of 2-Arylsulfinyl Esters","Journal of Organic Chemistry","2012","77","","5191","5197","10.1021/jo300699w","","","0.71073","MoKα","","0.0685","0.0424","","","0.0928","0.1034","","","","","","1.03","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027238","6.175","0.0003","12.2731","0.0007","18.6361","0.001","90","","93.8223","0.0007","90","","1409.22","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","0.71073","MoKα","","0.0427","0.0349","","","0.0908","0.0965","","","","","","1.04","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027239","7.5236","0.0006","9.5911","0.0007","8.5262","0.0007","90","","105.191","0.0009","90","","593.75","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","0.71073","MoKα","","0.0348","0.0321","","","0.0787","0.0806","","","","","","1.06","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027240","12.8042","0.0003","6.8053","0.0002","11.993","0.0003","90","","115.906","0.001","90","","940.01","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","1.54178","CuKα","","0.0441","0.0397","","","0.1162","0.128","","","","","","1.145","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027241","8.66143","0.00018","8.7821","0.00017","11.5908","0.0002","90","","90","","90","","881.66","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C24 H44 N4 O24 S4 -","4","1","","Vincent Gauchot; Andreea R. Schmitzer","Asymmetric Aldol Reaction Catalyzed by the Anion of an Ionic Liquid","Journal of Organic Chemistry","2012","77","","4917","4923","10.1021/jo300737u","","","1.54178","CuKα","","0.0229","0.0225","","","0.0615","0.0618","","","","","","1.092","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027242","8.189","0.0006","7.185","0.0005","11.259","0.0007","90","","93.555","0.002","90","","661.18","0.08","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl F O3 -","- C14 H12 Cl F O3 -","- C28 H24 Cl2 F2 O6 -","2","1","","Yunkui Liu; Jie Zhu; Jianqiang Qian; Zhenyuan Xu","Gold-Catalyzed Simultaneous Formation of C-C, C=O, and C-F bonds in the Presence of Selectfluor: A Synthesis of Fluoroindenes from Allene Esters","Journal of Organic Chemistry","2012","77","","5411","5417","10.1021/jo3006528","","","0.71073","MoKα","","0.1222","0.0478","","","0.1115","0.1494","","","","","","1","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027243","6.8882","0.0005","20.8439","0.0015","8.2554","0.0006","90","","90.028","0.001","90","","1185.29","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","","Xinfang Xu; Dmitry Shabashov; Peter Y. Zavalij; Michael P. Doyle","Substrate-Dependent Divergent Outcomes from Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides: Azabicyclo[3.1.0]hexanes or 5-Arylaminofuran-2(3H)-ones","Journal of Organic Chemistry","2012","77","","5313","5317","10.1021/jo3006733","","","0.71073","MoKα","","0.0379","0.035","","","0.0702","0.0714","","","","","","1","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027244","20.464","0.003","6.1223","0.0009","19.024","0.003","90","","114.916","0.006","90","","2161.6","0.6","143","1","143","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F2 N2 O5 -","- C21 H30 F2 N2 O5 -","- C84 H120 F8 N8 O20 -","4","1","","Grant R. Krow; Matthew D. Shoulders; Ramakrishna Edupuganti; Deepa Gandla; Fang Yu; Philip E. Sonnet; Matthew Sender; Amit Choudhary; Charles DeBrosse; Charles W. Ross; Patrick Carroll; Ronald T. Raines","Synthesis of 5-Fluoro- and 5-Hydroxymethanoprolines via Lithiation of N-BOC-methanopyrrolidines. Constrained Cγ-Exo and Cγ-Endo Flp and Hyp Conformer Mimics","Journal of Organic Chemistry","2012","77","","5331","5344","10.1021/jo300700a","","","0.71073","MoKα","","0.1687","0.1252","","","0.3161","0.3533","","","","","","1.087","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027245","13.0951","0.001","9.4194","0.0007","20.0552","0.0012","90","","117.713","0.004","90","","2190","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 O7 P -","- C22 H27 O7 P -","- C88 H108 O28 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0609","0.0498","","","0.1209","0.1268","","","","","","1.035","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027246","6.6332","0.0006","19.8814","0.0018","15.591","0.0014","90","","105.794","0.008","90","","1978.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 O2 P -","- C24 H21 O2 P -","- C96 H84 O8 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0699","0.0518","","","0.1222","0.1307","","","","","","1.026","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027247","12.678","0.002","17.397","0.003","17.716","0.005","90","","114.278","0.018","90","","3561.9","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 O2 P -","- C21 H17 O2 P -","- C168 H136 O16 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0952","0.0426","","","0.0823","0.0916","","","","","","0.866","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027248","9.892","0.003","11.884","0.004","18.63","0.006","97.442","0.005","98.266","0.006","90.151","0.005","2148.6","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 O2 P -","- C26 H25 O2 P -","- C104 H100 O8 P4 -","4","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0834","0.0674","","","0.1692","0.1789","","","","","","1.114","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027249","11.4961","0.0007","14.8975","0.0011","16.1208","0.0012","90","","132.778","0.004","90","","2026.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O2 P -","- C24 H23 O2 P -","- C96 H92 O8 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.1116","0.0584","","","0.0946","0.1145","","","","","","0.983","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027250","17.5578","0.0008","8.6412","0.0004","28.8289","0.0017","90","","90","","90","","4373.9","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl O2 P -","- C24 H24 Cl O2 P -","- C192 H192 Cl8 O16 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0636","0.0397","","","0.0831","0.0893","","","","","","0.95","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027251","6.6397","0.0001","9.9763","0.0002","7.518","0.0002","90","","92.753","0.001","90","","497.415","0.018","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","1","","Hyeon-Kyu Lee; Soyeong Kang; Eun Bok Choi","Stereoselective Synthesis of Norephedrine and Norpseudoephedrine by Using Asymmetric Transfer Hydrogenation Accompanied by Dynamic Kinetic Resolution","Journal of Organic Chemistry","2012","77","","5454","5460","10.1021/jo300867y","","","0.71073","MoKα","","0.0307","0.0289","","","0.0754","0.077","","","","","","1.029","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027252","7.7016","0.0003","13.849","0.0005","26.611","0.0011","90","","90","","90","","2838.31","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 -","- C32 H41 N O7 -","- C128 H164 N4 O28 -","4","1","","Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Yulia V. Nelyubina; Stephane Gerard; Sema L. Ioffe; Vladimir A. Tartakovsky","Synthesis of PDE IVb Inhibitors. 3. Synthesis of (+)-, (-)-, and (\±)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one via Reductive Domino Transformations of 3-β-Carbomethoxyethyl-Substituted Six-Membered Cyclic Nitronates","Journal of Organic Chemistry","2012","77","","5465","5469","10.1021/jo300955n","","","0.71073","MoKα","","0.0402","0.034","","","0.0816","0.0857","","","","","","1.004","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027253","33.13","0.005","10.4844","0.0017","16.523","0.003","90","","111.386","0.003","90","","5344.1","1.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C232 H248 N24 O48 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0859","0.0437","","","0.0872","0.1026","","","","","","1.011","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027254","9.3727","0.0019","10.02","0.002","15.193","0.003","102.788","0.004","104.677","0.003","99.305","0.004","1309.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C58 H62 N6 O12 -","2","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0865","0.0673","","","0.1576","0.1703","","","","","","1.097","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027255","9.929","0.004","18.23","0.006","21.043","0.007","90","","90","","90","","3809","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0465","0.0448","","","0.1002","0.1013","","","","","","1.172","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027256","10.2239","0.0008","10.7231","0.0009","15.4953","0.0013","91.714","0.001","103.39","0.001","117.764","0.001","1443.5","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","2","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.043","0.0374","","","0.0941","0.0987","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027257","7.4388","0.0005","26.4633","0.0017","14.6237","0.001","90","","93.58","0.003","90","","2873.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N3 O8 -","- C31 H31 N3 O8 -","- C124 H124 N12 O32 -","4","2","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0527","0.0375","","","0.0752","0.0821","","","","","","1.047","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027258","15.345","0.002","11.1876","0.0018","12.2187","0.0019","90","","103.406","0.002","90","","2040.5","0.5","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H25 N O10 -","- C17 H25 N O10 -","- C68 H100 N4 O40 -","4","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0355","0.0351","","","0.0889","0.0894","","","","","","1.087","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027259","19.998","0.002","5.522","0.001","18.252","0.005","90","","96.127","0.005","90","","2004","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4S,5S,6S)-N-benzyl-5-(benzylamino)-6-hydroxy-1,2,3-oxathiazepane -4-carboxamide 2,2-dioxide","","- C19 H23 N3 O5 S -","- C19 H23 N3 O5 S -","- C76 H92 N12 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71069","MoKα","","0.0841","0.0564","","","0.099","0.1123","","","","","","1.104","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027260","6.465","0.004","6.493","0.004","17.064","0.008","90","","90","","90","","716.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","aziridino-γ-lactone","(2aS,2a1R,5aS)-tetrahydro-2H-1,4-dioxa-3-thia-2b- azacyclopropa[hi]inden-2-one 3,3-dioxide","","- C5 H5 N O5 S -","- C5 H5 N O5 S -","- C20 H20 N4 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71073","MoKα","","0.0679","0.0647","","","0.1538","0.1553","","","","","","1.135","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027261","8.521","0.003","8.286","0.002","14.091","0.004","90","","102.858","0.005","90","","969.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Lilia Fuentes; Urbano Osorio; Leticia Quintero; Herbert Höpfl; Nixache Vázquez-Cabrera; Fernando Sartillo-Piscil","Direct Chemical Method for Preparing 2,3-Epoxyamides Using Sodium Chlorite","Journal of Organic Chemistry","2012","77","","5515","5524","10.1021/jo300542d","","","0.71073","MoKα","","0.0699","0.0497","","","0.1069","0.1243","","","","","","1.007","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027262","27.241","0.01","5.734","0.002","23.284","0.008","90","","112.558","0.007","90","","3359","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C160 H152 N8 O24 -","4","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.0865","0.0516","","","0.1279","0.1549","","","","","","1.013","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027263","4.8953","0.001","12.709","0.003","14.175","0.003","88.727","0.004","83.038","0.004","79.127","0.004","859.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N6 O2 -","- C38 H50 N6 O2 -","- C38 H50 N6 O2 -","1","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.0703","0.0485","","","0.134","0.1562","","","","","","0.929","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027264","4.806","0.006","14.85","0.02","14.93","0.02","60.43","0.02","85.26","0.02","89.2","0.02","923","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N6 O2 -","- C40 H38 N6 O2 -","- C40 H38 N6 O2 -","1","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.2011","0.1","","","0.1992","0.2218","","","","","","0.998","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027265","9.2588","0.0005","9.4467","0.0005","12.5446","0.0007","90","","90","","90","","1097.21","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0431","0.032","","","0.0751","0.0784","","","","","","0.969","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027266","9.649","0.0005","5.8746","0.0003","12.3783","0.0007","90","","107.487","0.006","90","","669.23","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0472","0.0344","","","0.0707","0.0732","","","","","","0.926","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027267","7.2906","0.001","6.4842","0.0011","13.31","0.002","90","","104.68","0.01","90","","608.67","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0977","0.0686","","","0.17","0.1868","","","","","","1.18","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027268","10.0211","0.0005","5.8555","0.0002","11.9154","0.0006","90","","93.215","0.002","90","","698.08","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0454","0.0392","","","0.0939","0.097","","","","","","1.148","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027269","6.1373","0.0002","10.5263","0.0004","30.6532","0.0013","90","","90","","90","","1980.29","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O2 Si -","- C19 H36 O2 Si -","- C76 H144 O8 Si4 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0482","0.0344","","","0.0695","0.072","","","","","","0.92","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027270","6.4233","0.0005","9.7999","0.0007","8.5116","0.0007","90","","100.147","0.004","90","","527.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0493","0.0379","","","0.0895","0.0953","","","","","","1.081","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027271","5.8846","0.0004","9.0415","0.0005","26.2051","0.0014","90","","90","","90","","1394.26","0.14","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0552","0.0361","","","0.0696","0.0738","","","","","","0.894","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027272","14.752","0.004","10.622","0.006","18.402","0.007","90","0.05","99.04","0.02","90","0.03","2848","2","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenyl-TATA","4,8,12-Triphenyl-4,8,12-triazatriangulenium Tetrafluoroborate","","- C37 H24 B F4 N3 -","- C37 H24 B F4 N3 -","- C148 H96 B4 F16 N12 -","4","1","","Peter Hammershøj; Thomas Just Sørensen; Bao-Hang Han; Bo W. Laursen","Base-Assisted One-Pot Synthesis of N,N',N""-Triaryltriazatriangulenium Dyes: Enhanced Fluorescence Efficiency by Steric Constraints","Journal of Organic Chemistry","2012","77","","5606","5612","10.1021/jo3007732","","","0.71073","MoKα","","0.0867","0.0523","","","0.1463","0.1704","","","","","","1.18","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027273","14.517","0.0017","10.943","0.0018","19.669","0.0018","90","0.007","101.562","0.016","90","0.011","3061.2","0.7","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-bromophenyl-TATA","4,8,12-Tris(4-bromophenyl)-4,8,12-triazatriangulenium Tetrafluoroborate","","- C37 H21 B Br3 F4 N3 -","- C37 H21 B Br3 F4 N3 -","- C148 H84 B4 Br12 F16 N12 -","4","1","","Peter Hammershøj; Thomas Just Sørensen; Bao-Hang Han; Bo W. Laursen","Base-Assisted One-Pot Synthesis of N,N',N""-Triaryltriazatriangulenium Dyes: Enhanced Fluorescence Efficiency by Steric Constraints","Journal of Organic Chemistry","2012","77","","5606","5612","10.1021/jo3007732","","","0.71073","MoKα","","0.0956","0.0617","","","0.1852","0.2135","","","","","","1.438","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027274","13.321","0.003","7.8902","0.0016","11.259","0.002","90","","92.32","0.03","90","","1182.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O S2 -","- C11 H9 N3 O S2 -","- C44 H36 N12 O4 S8 -","4","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.1086","0.0607","","","0.1546","0.1836","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027275","21.383","0.004","9.84","0.002","7.4392","0.0015","90","","90","","90","","1565.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C56 H56 N24 O8 S8 -","8","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0717","0.0543","","","0.1566","0.1708","","","","","","1.078","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027276","16.8378","0.0018","5.0024","0.0005","13.1719","0.0013","90","","98.84","0.003","90","","1096.28","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O S -","- C12 H9 N3 O S -","- C48 H36 N12 O4 S4 -","4","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0657","0.0431","","","0.1093","0.1205","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027277","8.06","0.004","8.06","0.004","45.41","0.03","90","","90","","90","","2950","3","296","2","296","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0904","0.0576","","","0.1329","0.1517","","","","","","1.011","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027278","7.646","0.012","8.221","0.013","24.74","0.04","90","","90","","90","","1555","4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0899","0.0554","","","0.1219","0.1416","","","","","","1.013","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027279","7.876","0.002","11.589","0.003","16.392","0.004","90","","103.375","0.002","90","","1455.6","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0676","0.0445","","","0.0887","0.0999","","","","","","0.963","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027280","12.4399","0.0002","14.7988","0.0004","22.9356","0.0005","90","","119.712","0.002","90","","3667.22","0.16","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 B Br P -","- C18 H29 B Br P -","- C144 H232 B8 Br8 P8 -","8","2","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0908","0.0448","","","0.0854","0.0984","","","","","","0.975","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027281","9.4694","0.0002","17.9407","0.0004","13.206","0.0003","90","","125.9","0.02","90","","1817.4","0.5","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 B Br P -","- C20 H21 B Br P -","- C80 H84 B4 Br4 P4 -","4","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71069","MoKα","","0.0394","0.0318","","","0.0788","0.0831","","","","","","1.052","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027282","7.6961","0.0002","14.5022","0.0005","9.1795","0.0003","90","","108.628","0.001","90","","970.85","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Br Fe P -","- C22 H21 B Br Fe P -","- C44 H42 B2 Br2 Fe2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0338","0.0293","","","0.0629","0.0647","","","","","","1.058","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027283","7.8827","0.0002","14.6045","0.0003","9.2236","0.0003","90","","108.951","0.001","90","","1004.29","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Fe I P -","- C22 H21 B Fe I P -","- C44 H42 B2 Fe2 I2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0334","0.0314","","","0.0775","0.0788","","","","","","1.042","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027284","7.7546","0.0003","7.9132","0.0003","13.8306","0.0005","90","","94.355","0.002","90","","846.25","0.06","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br O P -","- C19 H16 Br O P -","- C38 H32 Br2 O2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71069","MoKα","","0.0386","0.0317","","","0.0675","0.0707","","","","","","1.026","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027285","7.4323","0.0008","18.203","0.004","10.8672","0.0013","90","","90.004","0.01","90","","1470.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Liyao Zheng; Jia Ju; Yunhui Bin; Ruimao Hua","Synthesis of Isoquinolines and Heterocycle-Fused Pyridines via Three-Component Cascade Reaction of Aryl Ketones, Hydroxylamine, and Alkynes","Journal of Organic Chemistry","2012","77","","5794","5800","10.1021/jo3010414","","","0.71073","MoKα","","0.1134","0.0616","","","0.1095","0.1379","","","","","","1.046","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027286","11.4395","0.0016","10.344","0.0014","29.606","0.003","90","","90","","90","","3503.3","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C208 H152 N8 O16 -","8","1","","Heinz Langhals; Christian Dietl; Andreas Zimpel; Peter Mayer","Noncovalent Control of Absorption and Fluorescence Spectra","Journal of Organic Chemistry","2012","77","","5965","5970","10.1021/jo300540h","","","0.71073","MoKα","","0.1209","0.0605","","","0.1142","0.137","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027287","13.6243","0.0001","10.1431","0.0001","16.1047","0.0001","90","","90.032","0.001","90","","2225.55","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","2","","Arben I. Haziri; Christian J. Leumann","Synthesis and Pairing Properties of Oligodeoxynucleotides Containing Bicyclo-RNA and Bicyclo-ANA Modifications","Journal of Organic Chemistry","2012","77","","5861","5869","10.1021/jo300554w","","","0.71073","MoKα","","0.035","0.0314","","","0.089","0.0906","","","","","","1.07","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027288","8.1897","0.0001","10.6876","0.0001","11.0632","0.0002","72.737","0.001","88.705","0.001","79.657","0.001","909.21","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Cl4 O3 -","- C15 H10 Cl4 O3 -","- C30 H20 Cl8 O6 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0612","0.0393","","","0.081","0.0856","","","","","","0.886","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027289","15.0317","0.0015","14.8962","0.0015","6.9832","0.0007","90","","90","","90","","1563.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 Cl4 O3 -","- C15 H10 Cl4 O3 -","- C60 H40 Cl16 O12 -","4","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.096","0.0485","","","0.1059","0.1214","","","","","","0.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027290","11.7205","0.0007","10.086","0.0006","13.4468","0.0008","90","","110.531","0.003","90","","1488.62","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl4 O2 -","- C15 H10 Cl4 O2 -","- C60 H40 Cl16 O8 -","4","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0831","0.0779","","","0.1723","0.1743","","","","","","1.238","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027291","8.10471","0.00007","10.58276","0.00009","11.01017","0.0001","70.911","0.0003","87.9066","0.0004","82.4967","0.0004","884.756","0.014","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H7 Cl5 O2 -","- C14 H7 Cl5 O2 -","- C28 H14 Cl10 O4 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0277","0.0239","","","0.0631","0.0641","","","","","","1.074","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027292","11.827","0.002","25.952","0.004","10.3778","0.0018","90","","118.359","0.003","90","","2803","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cl4 O2 -","- C14 H8 Cl4 O2 -","- C112 H64 Cl32 O16 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0599","0.0434","","","0.1038","0.1134","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027293","7.1671","0.0018","10.654","0.003","12.606","0.003","85.824","0.006","79.449","0.005","89.246","0.005","943.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl4 O4 -","- C15 H12 Cl4 O4 -","- C30 H24 Cl8 O8 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0476","0.0433","","","0.1135","0.1155","","","","","","1.103","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027294","11.804","0.016","37.23","0.03","7.129","0.006","90","","90","","90","","3133","6","294","2","294","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H9 Cl5 O3 -","- C14 H9 Cl5 O3 -","- C112 H72 Cl40 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0886","0.0652","","","0.1444","0.1651","","","","","","0.922","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027295","11.6597","0.0014","34.37","0.004","7.0803","0.0009","90","","90","","90","","2837.4","0.6","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H10 Cl4 O3 -","- C14 H10 Cl4 O3 -","- C112 H80 Cl32 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0686","0.0631","","","0.1431","0.147","","","","","","1.147","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027296","9.3264","0.0015","10.1503","0.0019","12.7968","0.0019","82.257","0.014","74.207","0.014","66.55","0.016","1068.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F3 N3 O4 S -","- C22 H22 F3 N3 O4 S -","- C44 H44 F6 N6 O8 S2 -","2","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.119","0.0487","","","0.1067","0.1127","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027297","8.4617","0.001","13.2934","0.0016","15.59","0.002","90","","94.826","0.011","90","","1747.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O -","- C21.988 H23 N3 O -","- C87.952 H92 N12 O4 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1074","0.0468","","","0.1111","0.121","","","","","","1.01","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027298","17.543","0.002","6.2491","0.0006","17.155","0.002","90","","96.562","0.01","90","","1868.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1518","0.0453","","","0.082","0.0887","","","","","","1.002","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027299","9.2825","0.001","14.3343","0.0007","13.1795","0.0014","90","","107.327","0.01","90","","1674.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 S -","- C16 H23 N3 O2 S -","- C64 H92 N12 O8 S4 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1028","0.0396","","","0.0926","0.0974","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027300","8.4511","0.0017","9.701","0.0019","9.863","0.002","65.48","0.03","86.54","0.03","75.41","0.03","711.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Teresa Varea; Ana Alcalde; Carolina López de Dicastillo; Carmen Ramírez de Arellano; Fernando P. Cossío; Gregorio Asensio","Selective ""One-Pot"" Synthesis of Functionalized Cyclopentenones","Journal of Organic Chemistry","2012","77","","6327","6331","10.1021/jo300806y","","","0.71073","MoKα","","0.0572","0.0394","","","0.0928","0.1009","","","","","","1.033","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027301","6.1261","0.0008","28.654","0.004","10.7204","0.0016","90","","103.418","0.007","90","","1830.5","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C80 H76 N12 O12 S4 -","4","1","","Muthupandi Nagaraj; Muthusamy Boominathan; Devanathan Perumal; Shanmugam Muthusubramanian; Nattamai Bhuvanesh","Copper(I)-Catalyzed Cascade Sulfonimidate to Sulfonamide Rearrangement: Synthesis of Imidazo[1,2-a][1,4]diazepin-7(6H)-one","Journal of Organic Chemistry","2012","77","","6319","6326","10.1021/jo300855f","","","1.54178","CuKα","","0.0731","0.0677","","","0.1553","0.1595","","","","","","1.095","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027302","10.3272","0.0012","14.0891","0.0017","11.5515","0.0015","90","","115.18","0.007","90","","1521","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","imidazole derivative","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Muthupandi Nagaraj; Muthusamy Boominathan; Devanathan Perumal; Shanmugam Muthusubramanian; Nattamai Bhuvanesh","Copper(I)-Catalyzed Cascade Sulfonimidate to Sulfonamide Rearrangement: Synthesis of Imidazo[1,2-a][1,4]diazepin-7(6H)-one","Journal of Organic Chemistry","2012","77","","6319","6326","10.1021/jo300855f","","","1.54178","CuKα","","0.0776","0.0697","","","0.1587","0.1645","","","","","","1.075","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027303","5.8205","0.0005","12.3343","0.0011","27.224","0.003","90","","90","","90","","1954.5","0.3","298","2","571","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl F N O -","- C19 H23 Cl F N O -","- C76 H92 Cl4 F4 N4 O4 -","4","1","","Bruno Anxionnat; Benoit Robert; Pascal George; Gino Ricci; Marc-Antoine Perrin; Domingo Gomez Pardo; Janine Cossy","Ring Expansion of Cyclic β-Amino Alcohols Induced by Diethylaminosulfur Trifluoride: Synthesis of Cyclic Amines with a Tertiary Fluorine at C3","Journal of Organic Chemistry","2012","77","","6087","6099","10.1021/jo300887u","","","0.71073","MoKα","","0.0598","0.0504","","","0.1599","0.1662","","","","","","1.137","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027304","4.693","0.002","8.435","0.004","8.485","0.004","103.867","0.008","102.721","0.017","99.713","0.007","309.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0628","0.042","","","0.1068","0.1191","","","","","","1.036","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027305","14.229","0.006","9.395","0.004","19.2","0.009","90","","108.457","0.011","90","","2434.7","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C112 H32 F48 N32 -","8","1","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0425","0.0373","","","0.1069","0.1128","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027306","14.24403","0.00016","9.39943","0.00009","19.2102","0.0002","90","","108.48","0.0012","90","","2439.35","0.05","99.94","0.19","99.94","0.19","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C112 H32 F48 N32 -","8","1","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.7107","MoKα","","0.0403","0.0346","","","0.0947","0.0992","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027307","4.881","0.002","7.116","0.004","10.683","0.005","86.323","0.012","83.458","0.009","88.653","0.014","367.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H4 F10 N4 -","- C16 H4 F10 N4 -","- C16 H4 F10 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0407","0.0355","","","0.1016","0.1079","","","","","","1.072","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027308","6.776","0.003","5.063","0.002","27.434","0.013","90","","96.026","0.008","90","","936","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H4 F14 N4 -","- C18 H4 F14 N4 -","- C36 H8 F28 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.1345","0.1002","","","0.2536","0.2771","","","","","","1.146","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027309","5.469","0.004","8.662","0.006","19.04","0.014","90","","91.63","0.019","90","","901.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H4 F14 N4 -","- C18 H4 F14 N4 -","- C36 H8 F28 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0889","0.0692","","","0.1587","0.1679","","","","","","1.105","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027310","21.2334","0.0007","12.6047","0.0003","8.5605","0.0002","90","","92.62","0.003","90","","2288.74","0.11","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H10 F10 N4 O -","- C24 H4 F10 N4 -","- C96 H16 F40 N16 -","4","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","1.5418","CuKα","","0.0324","0.0295","","","0.0806","0.0829","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027311","9.554","0.005","10.669","0.006","10.996","0.005","73.939","0.014","81.9","0.009","84.005","0.01","1063.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H2 Br2 F6 N4 -","- C14 H2 Br2 F6 N4 -","- C42 H6 Br6 F18 N12 -","3","1.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0309","0.0254","","","0.0635","0.0657","","","","","","1.105","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027312","4.959","0.002","8.559","0.004","10.259","0.005","90.869","0.011","94.021","0.007","102.739","0.015","423.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H2 Br2 F10 N4 -","- C16 H2 Br2 F10 N4 -","- C16 H2 Br2 F10 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0335","0.0281","","","0.0683","0.0706","","","","","","1.062","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027313","10.572","0.002","12.965","0.004","12.987","0.003","90","","107.308","0.006","90","","1699.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H16 Br4 F10 N4 -","- C38 H16 Br4 F10 N4 -","- C76 H32 Br8 F20 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0816","0.0473","","","0.1107","0.1181","","","","","","1.19","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027314","5.101","0.003","7.908","0.004","9.882","0.005","80.425","0.011","82.339","0.007","76.7","0.013","380.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 Cl4 F6 N4 -","- C14 Cl4 F6 N4 -","- C14 Cl4 F6 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0577","0.0379","","","0.0828","0.0923","","","","","","1.024","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027315","10.9456","0.0002","12.8552","0.0002","21.7566","0.0004","90","","100.84","0.001","90","","3006.7","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B P -","- C18 H16 B P -","- C144 H128 B8 P8 -","8","2","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0466","0.0407","","","0.1176","0.1247","","","","","","1.136","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027316","12.6583","0.0003","12.9947","0.0003","15.0536","0.0004","73.549","0.001","66.123","0.001","81.019","0.001","2169.14","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 B O2 P -","- C26 H24 B O2 P -","- C104 H96 B4 O8 P4 -","4","2","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0702","0.0567","","","0.155","0.1747","","","","","","1.059","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027317","10.9425","0.0002","14.361","0.0004","26.7154","0.0007","90","","90","","90","","4198.2","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B O P -","- C26 H24 B O P -","- C208 H192 B8 O8 P8 -","8","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0782","0.0559","","","0.1388","0.1548","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027318","11.1694","0.0003","14.4645","0.0006","14.2419","0.0005","90","","92.162","0.002","90","","2299.28","0.14","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C108 H104 B4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0426","0.0414","","","0.1157","0.1174","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027319","9.6796","0.0003","15.0266","0.0007","15.7565","0.0006","90","","95.443","0.002","90","","2281.47","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 B O2 P -","- C25 H30 B O2 P -","- C100 H120 B4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0675","0.0488","","","0.1247","0.1407","","","","","","1.074","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027320","8.6791","0.0002","13.0784","0.0002","28.9528","0.0007","90","","94.256","0.001","90","","3277.33","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 B Br O2 P -","- C35 H47 B Br O2 P -","- C140 H188 B4 Br4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0447","0.0357","","","0.1018","0.1104","","","","","","1.067","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027321","9.555","0.0004","9.2222","0.0004","13.7263","0.0005","90","","107.389","0.001","90","","1154.26","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C54 H52 B2 O4 P2 -","2","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0323","0.0291","","","0.078","0.0866","","","","","","1.127","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027322","11.283","0.002","15.681","0.003","22.336","0.005","90","","90","","90","","3951.9","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B N O2 -","- C51 H48 B N O2 -","- C204 H192 B4 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0895","0.0535","","","0.1053","0.12","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027323","11.198","0.003","12.171","0.003","19.804","0.005","90","","90","","90","","2699.1","1.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O2 -","- C35 H33 N O2 -","- C140 H132 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0669","0.0526","","","0.1188","0.1277","","","","","","0.978","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027324","11.458","0.002","17.247","0.003","27.663","0.006","90","","90","","90","","5466.7","1.8","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H58 B Cl6 N O2 -","- C62 H58 B Cl6 N O2 -","- C248 H232 B4 Cl24 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.3058","0.1056","","","0.2036","0.2796","","","","","","0.882","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027325","6.8825","0.0006","10.5619","0.0008","13.8053","0.0011","90","","90","","90","","1003.54","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Day-Shin Hsu; Shih-Chung Lin","Total Syntheses of Cladoacetals A and B: Confirmation of Absolute Configurations","Journal of Organic Chemistry","2012","77","","6139","6146","10.1021/jo300923e","","","0.71073","MoKα","","0.0543","0.048","","","0.0941","0.0967","","","","","","1.102","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027326","12.3286","0.0003","10.3522","0.0002","10.205","0.0002","90","","96.066","0.002","90","","1295.15","0.05","250.01","0.11","250.01","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Dennis U. Nielsen; Karoline Neumann; Rolf H. Taaning; Anders T. Lindhardt; Amalie Modvig; Troels Skrydstrup","Palladium-Catalyzed Double Carbonylation Using Near Stoichiometric Carbon Monoxide: Expedient Access to Substituted 13C2-Labeled Phenethylamines","Journal of Organic Chemistry","2012","77","","6155","6165","10.1021/jo3009337","","","0.7107","MoKα","","0.0552","0.0414","","","0.1017","0.1108","","","","","","1.038","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027327","9.2335","0.0018","10.93","0.002","14.245","0.003","95.14","0.03","90.06","0.03","112.38","0.03","1323","0.5","160","2","160","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","2","","Dennis U. Nielsen; Karoline Neumann; Rolf H. Taaning; Anders T. Lindhardt; Amalie Modvig; Troels Skrydstrup","Palladium-Catalyzed Double Carbonylation Using Near Stoichiometric Carbon Monoxide: Expedient Access to Substituted 13C2-Labeled Phenethylamines","Journal of Organic Chemistry","2012","77","","6155","6165","10.1021/jo3009337","","x-ray","0.71073","MoKα","","0.0827","0.0512","","","0.1308","0.1488","","","","","","1.032","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027328","10.855","0.002","6.9558","0.0014","20.812","0.004","90","","93.333","0.004","90","","1568.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Sritama Bose; Manju Ghosh; Subrata Ghosh","Domino Ring-Opening Metathesis-Ring-Closing Metathesis of Bicyclo[2.2.2]octene Derivatives: Scope and Limitations","Journal of Organic Chemistry","2012","77","","6345","6350","10.1021/jo300945b","","","0.71073","MoKα","","0.0549","0.0471","","","0.1222","0.1337","","","","","","0.904","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027329","9.2644","0.0017","9.7808","0.0018","20.85","0.004","88.078","0.002","86.288","0.002","88.819","0.002","1883.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N4 O3 -","- C47 H40 N4 O3 -","- C94 H80 N8 O6 -","2","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","0.71073","MoKα","","0.1201","0.0652","","","0.1939","0.2545","","","","","","0.822","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027330","10.6322","0.0011","12.8331","0.0013","26.909","0.003","90","","90.658","0.005","90","","3671.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 N4 O -","- C49 H42 N4 O -","- C196 H168 N16 O4 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","1.54178","CuKα","","0.0429","0.0408","","","0.1127","0.1153","","","","","","0.823","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027331","13.2442","0.0013","18.707","0.0019","17.9647","0.0018","90","","91.793","0.001","90","","4448.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N5 O2 Zn -","- C52 H41 N5 O2 Zn -","- C208 H164 N20 O8 Zn4 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","0.71073","MoKα","","0.1079","0.0609","","","0.1463","0.1679","","","","","","0.912","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027332","12.6533","0.0008","15.8418","0.0002","8.8587","0.0001","90","","105.971","0.008","90","","1707.19","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","James C. Anderson; Lisa R. Horsfall; Andreas S. Kalogirou; Matthew R. Mills; Gregory J. Stepney; Graham J. Tizzard","Stereoselective Synthesis of Densely Functionalized Pyrrolidin-2-ones by a Conjugate Addition/Nitro-Mannich/Lactamization Reaction","Journal of Organic Chemistry","2012","77","","6186","6198","10.1021/jo301000r","","","1.54187","CuKα","","0.09","0.0739","","","0.2028","0.2354","","","","","","1.062","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027333","8.3399","0.0001","10.1614","0.0001","22.2832","0.0015","90","","90","","90","","1888.39","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C76 H76 F12 N8 O12 S4 -","4","1","","James C. Anderson; Lisa R. Horsfall; Andreas S. Kalogirou; Matthew R. Mills; Gregory J. Stepney; Graham J. Tizzard","Stereoselective Synthesis of Densely Functionalized Pyrrolidin-2-ones by a Conjugate Addition/Nitro-Mannich/Lactamization Reaction","Journal of Organic Chemistry","2012","77","","6186","6198","10.1021/jo301000r","","","1.54187","CuKα","","0.0253","0.0248","","","0.0635","0.0637","","","","","","1.058","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027334","6.34","0.001","8.649","0.0012","21.069","0.002","90","","90","","90","","1155.3","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Aidang Lu; Keling Hu; Youming Wang; Haibin Song; Zhenghong Zhou; Jianxin Fang; Chuchi Tang","Enantioselective Synthesis of trans-Dihydrobenzofurans via Primary Amine-Thiourea Organocatalyzed Intramolecular Michael Addition","Journal of Organic Chemistry","2012","77","","6208","6214","10.1021/jo301006e","","","1.54187","CuKα","","0.0703","0.0676","","","0.1428","0.1508","","","","","","1.122","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027335","8.8631","0.0005","19.8424","0.0014","25.717","0.002","90","","90","","90","","4522.7","0.5","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-(1-pyrene)-1,3-diphenylfulvene","6-(1-pyrene)-1,3-diphenylfulvene","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0499","0.0375","","","0.0844","0.0924","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027336","17.449","0.006","5.698","0.002","16.787","0.006","90","","99.761","0.004","90","","1644.9","1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3,6-triphenylfulvene","1,3,6-triphenylfulvene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0465","0.0414","","","0.1047","0.1085","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027337","8.177","0.0018","8.7726","0.0018","14.965","0.004","104.847","0.003","90.349","0.003","109.606","0.002","972.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene","6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene","","- C26 H22 O2 -","- C26 H22 O2 -","- C52 H44 O4 -","2","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0454","0.0425","","","0.1155","0.1187","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027338","21.841","0.003","6.1472","0.0008","26.751","0.003","90","","93.188","0.002","90","","3586.1","0.8","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","6-cyclohexyl-1,3-diphenylfulvene","6-cyclohexyl-1,3-diphenylfulvene","","- C24 H24 -","- C24 H24 -","- C192 H192 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0611","0.0467","","","0.1124","0.1216","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027339","31.085","0.005","10.1123","0.0018","10.3012","0.0018","90","","90.279","0.002","90","","3238","1","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","6-(tert-butyl)-1,3-diphenylfulvene","6-(tert-butyl)-1,3-diphenylfulvene","","- C22 H22 -","- C22 H22 -","- C176 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0539","0.0435","","","0.1107","0.1177","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027340","17.699","0.002","17.699","0.002","5.8563","0.0004","90","","90","","90","","1834.5","0.3","200","0.2","200","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","","Leleti Rajender Reddy; Kapa Prasad; Mahavir Prashad","A Protocol for an Asymmetric Synthesis of γ-Amino Acids","Journal of Organic Chemistry","2012","77","","6296","6301","10.1021/jo301177f","","","1.54184","CU-Kα","","0.068","0.063","","","0.173","0.182","","","","","","1.112","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4027341","8.2998","0.0007","12.7159","0.0011","24.849","0.002","90","","90","","90","","2622.5","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 I N4 -","- C14 H11 I N4 -","- C112 H88 I8 N32 -","8","1","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0219","0.0177","","","0.041","0.0435","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027342","23.9334","0.0009","8.3486","0.0003","20.4206","0.0009","90","","90","","90","","4080.2","0.3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0496","0.0379","","","0.0671","0.0707","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027343","9.5161","0.0009","15.6549","0.0015","15.886","0.0015","83.461","0.001","74.229","0.001","78.522","0.001","2227.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 I3 N -","- C16 H36 I3 N -","- C64 H144 I12 N4 -","4","2","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.031","0.0281","","","0.0713","0.0728","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027344","6.3491","0.0004","10.393","0.0006","12.2632","0.0007","94.175","0.001","100.446","0.001","100.344","0.001","778.2","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H28 N4 O2 -","- C42.996 H28 N4 O1.992 -","- C42.996 H28 N4 O1.992 -","1","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0581","0.0565","","","0.1378","0.1389","","","","","","1.157","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027345","14.863","0.009","17.01","0.011","14.667","0.009","90","","93.844","0.01","90","","3700","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H31 N5 O2 Zn -","- C48 H31 N5 O2 Zn -","- C192 H124 N20 O8 Zn4 -","4","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.1308","0.0918","","","0.1962","0.2128","","","","","","1.169","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027346","6.3538","0.0016","10.375","0.003","12.253","0.003","94.819","0.004","99.495","0.004","101.047","0.004","776.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N4 O -","- C42.998 H29.996 N4 O0.998 -","- C42.998 H29.996 N4 O0.998 -","1","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0593","0.0449","","","0.1109","0.1206","","","","","","1.066","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027347","13.46","0.003","13.46","0.003","9.7678","0.0018","90","","90","","90","","1769.6","0.6","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C44 H33 N4 O2.5 -","- C44 H33 N4 O2.5 -","- C88 H66 N8 O5 -","2","0.125","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0646","0.0531","","","0.153","0.1651","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027348","10.4629","0.0019","13.445","0.002","20.798","0.004","91.532","0.003","91.461","0.003","108.916","0.003","2764.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 N5 O2 Zn -","- C36 H23 N5 O2 Zn -","- C144 H92 N20 O8 Zn4 -","4","2","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0501","0.0404","","","0.1096","0.1137","","","","","","1.071","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027349","10.5042","0.0002","6.092","0.0001","24.0074","0.0004","90","","95.815","0.001","90","","1528.37","0.05","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","","Dongxu Shu; Xiaoxun Li; Min Zhang; Patrick J. Robichaux; Ilia A. Guzei; Weiping Tang","Rhodium-Catalyzed Carbonylation of Cyclopropyl Substituted Propargyl Esters: A Tandem 1,3-Acyloxy Migration [5 + 1] Cycloaddition","Journal of Organic Chemistry","2012","77","","6463","6472","10.1021/jo300973r","","","1.54178","CuKα","","0.0388","0.0361","","","0.1272","0.131","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027350","10.1195","0.0011","12.7149","0.0013","13.618","0.0014","90","","92.809","0.002","90","","1750.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O -","- C18 H22 Cl N3 O -","- C72 H88 Cl4 N12 O4 -","4","1","","María García-Valverde; Ignacio Alfonso; David Quiñonero; Roberto Quesada","Conformational Analysis of a Model Synthetic Prodiginine","Journal of Organic Chemistry","2012","77","","6538","6544","10.1021/jo301008c","","","0.71073","MoKα","","0.0639","0.0411","","","0.1042","0.1113","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027351","9.5644","0.0009","10.5005","0.001","19.778","0.0019","83.838","0.002","86.955","0.002","89.422","0.002","1972","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","2","","María García-Valverde; Ignacio Alfonso; David Quiñonero; Roberto Quesada","Conformational Analysis of a Model Synthetic Prodiginine","Journal of Organic Chemistry","2012","77","","6538","6544","10.1021/jo301008c","","","0.71073","MoKα","","0.1151","0.0644","","","0.1461","0.1728","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027352","21.2044","0.0004","10.4376","0.0002","21.7778","0.0005","90","","112.687","0.001","90","","4446.99","0.16","113","","113","","","","","","","","Synthetic compound","6","P 1 21/n 1","-P 2yn","14","[5,10,15-tris(4-methoxycarbonylphenyl)-5-oxaporphyrinato]zinc(II)","[5,10,15-tris(4-methoxycarbonylphenyl)-5-oxaporphyrinato] (trifluoroacetato)zinc(II)","","- C50 H29 F3 N4 O9 Zn -","- C50 H29 F3 N4 O9 Zn -","- C200 H116 F12 N16 O36 Zn4 -","4","1","","Kazuhisa Kakeya; Aya Nakagawa; Tadashi Mizutani; Yutaka Hitomi; Masahito Kodera","Synthesis, Reactivity, and Spectroscopic Properties of meso-Triaryl-5-oxaporphyrins","Journal of Organic Chemistry","2012","77","","6510","6519","10.1021/jo3010342","","x-ray","1.54187","CuKα","","0.1405","0.0852","","","0.2359","0.2791","","","","","","0.986","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027353","12.6159","0.0004","8.2338","0.0002","14.704","0.0004","90","","108.352","0.001","90","","1449.72","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Manoj R. Zanwar; Mustafa J. Raihan; Sachin D. Gawande; Veerababurao Kavala; Donala Janreddy; Chun-Wei Kuo; Ram Ambre; Ching-Fa Yao","Alcohol Mediated Synthesis of 4-Oxo-2-aryl-4H-chromene-3-carboxylate Derivatives from 4-Hydroxycoumarins","Journal of Organic Chemistry","2012","77","","6495","6504","10.1021/jo301044y","","","0.71073","MoKα","","0.0422","0.0363","","","0.1038","0.118","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027354","10.5667","0.0008","17.1216","0.0012","13.9635","0.001","90","","92.699","0.001","90","","2523.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cr Fe O6 S -","- C27 H20 Cr Fe O6 S -","- C108 H80 Cr4 Fe4 O24 S4 -","4","1","","Alexandra R. Rivero; Israel Fernández; Miguel A. Sierra","Regioselective and Stepwise [8 + 2] Cycloaddition Reaction between Alkynyl-Fischer Carbene Complexes and Tropothione","Journal of Organic Chemistry","2012","77","","6648","6652","10.1021/jo3011304","","","0.71073","MoKα","","0.0924","0.043","","","0.0745","0.0835","","","","","","0.989","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027355","5.651","0.002","11.88","0.007","15.389","0.008","109.06","0.03","100.31","0.04","90.81","0.03","957.8","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N5 O5 -","- C20 H17 N5 O5 -","- C40 H34 N10 O10 -","2","1","","Dane J. Clausen; Paul E. Floreancig","Aromatic Cations from Oxidative Carbon-Hydrogen Bond Cleavage in Bimolecular Carbon-Carbon Bond Forming Reactions","Journal of Organic Chemistry","2012","77","","6574","6582","10.1021/jo301185h","","","1.54178","CuKα","","0.2896","0.1007","","","0.1999","0.2759","","","","","","0.983","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027356","7.4379","0.0009","12.254","0.0015","9.8924","0.0013","90","","94.972","0.003","90","","898.24","0.19","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 Fe N -","- C19 H19 Br2 Fe N -","- C38 H38 Br4 Fe2 N2 -","2","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0565","","","","0.1011","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027357","7.8693","0.0009","11.3517","0.0012","17.9846","0.0017","90","","90","","90","","1606.6","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 Fe -","- C18 H16 Br2 Fe -","- C72 H64 Br8 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0493","","","","0.1188","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027358","10.0011","0.0005","15.0572","0.0007","22.5214","0.0012","90","","90","","90","","3391.5","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Fe P2 -","- C42 H36 Fe P2 -","- C168 H144 Fe4 P8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0463","","","","0.0748","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027359","7.4365","0.001","8.3916","0.0008","24.421","0.003","90","","90","","90","","1524","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Fe -","- C18 H17 Br Fe -","- C72 H68 Br4 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0564","","","","0.1692","","","","","","1.064","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027360","9.3072","0.0011","20.213","0.003","20.551","0.003","90","","90","","90","","3866.2","0.9","203","","203","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 Fe2 Se2 -","- C42 H34 Fe2 Se2 -","- C168 H136 Fe8 Se8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.1844","","","","0.2557","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027361","7.5254","0.0004","8.5763","0.0005","21.9048","0.001","90","","90","","90","","1413.74","0.13","183","","183","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Fe -","- C18 H18 Fe -","- C72 H72 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0277","","","","0.049","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027362","7.9189","0.0016","11.749","0.003","18.368","0.004","90","","90","","90","","1708.9","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Fe I2 -","- C18 H16 Fe I2 -","- C72 H64 Fe4 I8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0298","","","","0.0675","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027363","23.305","0.018","7.753","0.011","10.364","0.008","90","","90","","90","","1873","3","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Fe I2 N -","- C19 H19 Fe I2 N -","- C76 H76 Fe4 I8 N4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.7107","MoKα","","","0.0465","","","","0.0472","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027364","29.1512","0.0011","10.2639","0.0007","8.9612","0.0004","90","","96.206","0.004","90","","2665.5","0.2","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H22 Br2 N2 O5 -","- C29 H22 Br2 N2 O5 -","- C116 H88 Br8 N8 O20 -","4","1","","Wenguo Yang; Davin Tan; Lixin Li; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Choon-Hong Tan; Zhiyong Jiang","Direct Asymmetric Allylic Alkenylation of N-Itaconimides with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2012","77","","6600","6607","10.1021/jo3012539","","","1.5418","CuKα","","0.0375","0.0358","","","0.0944","0.0967","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027365","16.4227","0.0016","18.478","0.0019","25.266","0.003","90","","103.557","0.002","90","","7453.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H92 Cl4 N6 O3 Pd2 -","- C62 H92 Cl4 N6 O3 Pd2 -","- C248 H368 Cl16 N24 O12 Pd8 -","4","1","","Zhan-Yong Wang; Gao-Qi Chen; Li-Xiong Shao","N-Heterocyclic Carbene-Palladium(II)-1-Methylimidazole Complex-Catalyzed Suzuki-Miyaura Coupling of Aryl Sulfonates with Arylboronic Acids","Journal of Organic Chemistry","2012","77","","6608","6614","10.1021/jo301270t","","","0.71073","MoKα","","0.0704","0.0581","","","0.2081","0.2229","","","","","","1.065","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027366","13.1264","0.0016","20.83","0.003","10.1064","0.0012","90","","109.576","0.002","90","","2603.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in manuscript 7b","","","- C14.5 H12 Cl N O3 -","- C14.5 H12 Cl N O3 -","- C116 H96 Cl8 N8 O24 -","8","2","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0999","0.076","","","0.187","0.2035","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027367","14.8352","0.001","9.2601","0.0007","8.4422","0.0005","90","","105.966","0.002","90","","1115.01","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in manuscript 8a","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0789","0.0508","","","0.1272","0.1455","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027368","16.2661","0.0003","10.6115","0.0001","7.2249","0.0001","90","","93.381","0.001","90","","1244.9","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in manuscript 8e","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0545","0.0429","","","0.1096","0.1185","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027369","7.459","0.004","8.165","0.004","10.383","0.005","91.258","0.011","101.305","0.011","96.017","0.011","616.1","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.1154","0.0763","","","0.151","0.1659","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027370","7.618","0.0018","10.819","0.003","15.469","0.004","90","","92.552","0.005","90","","1273.7","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","in manuscript 8b","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0824","0.0572","","","0.1208","0.1312","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027371","11.553","0.0002","14.4441","0.0003","18.2458","0.0003","69.634","0.001","78.432","0.001","69.941","0.001","2669.83","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in manuscript 7m","","","- C12 H7 F6 N O3 -","- C12 H7 F6 N O3 -","- C96 H56 F48 N8 O24 -","8","4","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0836","0.0501","","","0.1171","0.1356","","","","","","1.018","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027372","13.6482","0.0007","10.2749","0.0005","13.7082","0.0007","90","","103.145","0.001","90","","1871.98","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0655","0.0482","","","0.1264","0.1391","","","","","","1.035","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027373","12.8046","0.0007","10.1185","0.0005","15.2099","0.0008","90","","105.492","0.001","90","","1899.05","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0507","0.0401","","","0.109","0.1186","","","","","","1.027","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027374","27.9292","0.0015","8.1522","0.0004","19.4546","0.001","90","","92.986","0.001","90","","4423.5","0.4","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C224 H200 N8 O16 S8 -","8","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0471","0.0402","","","0.105","0.1118","","","","","","1.042","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027375","9.2838","0.0004","15.2658","0.0007","15.8794","0.0007","89.642","0.002","84.485","0.002","87.787","0.002","2238.41","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H70 Cl3 N5 O11 -","- C36 H68 Cl3 N5 O11 -","- C72 H136 Cl6 N10 O22 -","2","1","","Pedro Mateus; Rita Delgado; Patrick Groves; Sara R. R. Campos; António M. Baptista; Paula Brandão; Vítor Félix","Water Encapsulation in a Polyoxapolyaza Macrobicyclic Compound","Journal of Organic Chemistry","2012","77","","6816","6824","10.1021/jo300799s","","","0.71073","MoKα","","0.067","0.048","","","0.1407","0.172","","","","","","1.07","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027376","6.1718","0.0014","13.887","0.003","15.127","0.003","90","","90","","90","","1296.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Jia-Dai Zhai; Dongmei Li; Jing Long; Hao-Liang Zhang; Jian-Ping Lin; Chuan-Jiang Qiu; Quan Zhang; Yue Chen","Biomimetic Semisynthesis of Arglabin from Parthenolide","Journal of Organic Chemistry","2012","77","","7103","7107","10.1021/jo300888s","","","0.71073","MoKα","","0.0397","0.0316","","","0.0611","0.0629","","","","","","1.036","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027377","13.8975","0.0005","15.3683","0.0006","21.8526","0.0008","90","","90","","90","","4667.3","0.3","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 Cl N2 O2 P Pd S -","- C54 H52 Cl N2 O2 P Pd S -","- C216 H208 Cl4 N8 O8 P4 Pd4 S4 -","4","1","","Yinhua Huang; Renta Jonathan Chew; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Asymmetric Synthesis of Enaminophosphines via Palladacycle-Catalyzed Addition of Ph2PH to α,β-Unsaturated Imines","Journal of Organic Chemistry","2012","77","","6849","6854","10.1021/jo300893s","","","0.71073","MoKα","","0.0849","0.051","","","0.1101","0.1397","","","","","","1.051","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027378","7.425","0.001","17.223","0.002","13.022","0.001","90","","96.835","0.01","90","","1653.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 O4 -","- C23 H14 O4 -","- C92 H56 O16 -","4","1","","Alessia Coletti; Sara Lentini; Valeria Conte; Barbara Floris; Olga Bortolini; Fabio Sforza; Fabrizia Grepioni; Pierluca Galloni","Unexpected One-Pot Synthesis of Highly Conjugated Pentacyclic Diquinoid Compounds","Journal of Organic Chemistry","2012","77","","6873","6879","10.1021/jo300985x","","","0.71073","MoKα","","0.0821","0.0382","","","0.0557","0.069","","","","","","0.897","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027379","16.6789","0.0003","9.6995","0.0002","18.7844","0.0004","90","","98.08","0.001","90","","3008.72","0.1","298","2","298","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","bis([3-(tert-butyl-diphenyl-silanyloxy)-diphenyl]-phenylmethyl)-ethynylethyne","","- C74 H66 O2 Si2 -","- C74 H66 O2 Si2 -","- C148 H132 O4 Si4 -","2","0.5","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.1465","0.0632","","","0.1354","0.1682","","","","","","1.009","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027380","14.2314","0.0012","12.007","0.0011","17.6949","0.0018","90","","95.164","0.005","90","","3011.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl-[3-(1,1-diphenyl-prop-2-ynyl)-phenoxy]-diphenyl-silane","","- C37 H34 O Si -","- C37 H34 O Si -","- C148 H136 O4 Si4 -","4","1","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.2523","0.0832","","","0.1394","0.1857","","","","","","0.977","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027381","13.0434","0.0003","14.8934","0.0007","16.8459","0.0008","71.822","0.001","74.263","0.003","71.997","0.003","2901.1","0.2","171","2","171","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Bis(tris-[3-(tert-butyl-diphenyl-silanyloxy)-diphenyl]-phenylmethyl) -ethynylethyne","","- C138 H138 O6 Si6 -","- C138 H138 O6 Si6 -","- C138 H138 O6 Si6 -","1","0.5","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.1578","0.08","","","0.1468","0.1795","","","","","","1.014","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027382","16.6075","0.0012","15.5958","0.0011","9.3671","0.0007","90","","105.497","0.002","90","","2337.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br F3 N2 O4 -","- C24 H20 Br F3 N2 O4 -","- C96 H80 Br4 F12 N8 O16 -","4","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0665","0.0487","","","0.126","0.134","","","","","","1.03","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027383","14.066","0.002","8.7343","0.0013","18.513","0.003","90","","93.425","0.002","90","","2270.4","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br F3 N2 O4 S -","- C22 H17 Br F3 N2 O4 S -","- C88 H68 Br4 F12 N8 O16 S4 -","4","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0637","0.0509","","","0.1363","0.1469","","","","","","1.024","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027384","9.6156","0.0018","10.448","0.002","12.197","0.002","86.817","0.003","74.115","0.003","62.824","0.003","1045","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Br N2 O2 -","- C22 H29 Br N2 O2 -","- C44 H58 Br2 N4 O4 -","2","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0798","0.0646","","","0.1738","0.1899","","","","","","1.069","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027385","6.0736","0.0002","9.8371","0.0004","24.153","0.0011","80.949","0.003","86.31","0.002","78.412","0.002","1395.24","0.1","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 Br2 O2 -","- C37 H24 Br2 O2 -","- C74 H48 Br4 O4 -","2","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.0773","0.0393","","","0.0663","0.09","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027386","8.9009","0.0008","17.725","0.0017","28.318","0.003","90","","90","","90","","4467.7","0.8","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 O2 -","- C31 H22 O2 -","- C248 H176 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1487","0.0673","","","0.1623","0.198","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027387","11.8795","0.0011","15.5465","0.0014","13.6599","0.0011","90","","111.548","0.002","90","","2346.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1169","0.0533","","","0.1275","0.1802","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027388","27.0519","0.0005","14.3057","0.0003","18.1255","0.0006","90","","131.33","0.001","90","","5267.3","0.2","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 O2 -","- C35 H30 O2 -","- C280 H240 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.0824","0.0502","","","0.1355","0.1657","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027389","9.308","0.0007","12.27","0.0009","31.682","0.002","90","","90","","90","","3618.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 N5 O9 S -","- C32 H39 N5 O9 S -","- C128 H156 N20 O36 S4 -","4","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Regio- and Diastereoselective Synthesis of β-Lactam-Triazole Hybrids via Passerini/CuAAC Sequence","Journal of Organic Chemistry","2012","77","","6917","6928","10.1021/jo301113g","","","0.71073","MoKα","","0.1424","0.0415","","","0.0678","0.0832","","","","","","0.989","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027390","11.279","0.0003","13.8867","0.0004","14.0971","0.0004","90","","95.564","0.003","90","","2197.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N O5 P -","- C24 H24 N O5 P -","- C96 H96 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0618","0.0454","","","0.1137","0.1234","","","","","","1.043","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027391","13.8122","0.0006","13.1379","0.0004","11.7893","0.0006","90","","112.165","0.006","90","","1981.23","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N O5 P -","- C20 H24 N O5 P -","- C80 H96 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0594","0.0416","","","0.0952","0.1045","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027392","7.1222","0.0009","17.729","0.002","16.957","0.002","90","","93.189","0.003","90","","2137.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N O5 P -","- C23 H28 N O5 P -","- C92 H112 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.1811","0.1215","","","0.1844","0.2058","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027393","13.362","0.003","13.883","0.003","7.8491","0.0017","90","","103.842","0.003","90","","1413.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0586","0.0501","","","0.1283","0.1351","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027394","9.1437","0.0008","9.3147","0.0007","12.7844","0.0016","92.975","0.008","95.65","0.009","91.661","0.006","1081.47","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl3 N O4 S -","- C21 H18 Cl3 N O4 S -","- C42 H36 Cl6 N2 O8 S2 -","2","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0787","0.0536","","","0.1375","0.1581","","","","","","1.063","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027395","13.0768","0.0016","16.069","0.002","8.6435","0.0009","90","","105.021","0.013","90","","1754.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.2069","0.0583","","","0.101","0.1276","","","","","","0.783","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027396","24.956","0.005","8.9926","0.0008","16.635","0.003","90","","129.57","0.03","90","","2877.7","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 N2 O4 -","- C38 H30 N2 O4 -","- C152 H120 N8 O16 -","4","0.5","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.1027","0.0566","","","0.1024","0.1302","","","","","","1.044","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027397","9.1473","0.0001","22.6768","0.0002","10.6126","0.0001","90","","114.247","0.001","90","","2007.19","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","2","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0285","0.0281","","","0.0748","0.0752","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027398","7.4794","0.0004","5.8669","0.0003","21.0058","0.0013","90","","95.322","0.005","90","","917.78","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0496","0.0404","","","0.0973","0.1052","","","","","","1.072","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027399","7.5942","0.0004","5.8783","0.0003","20.3254","0.0009","90","","93.956","0.004","90","","905.18","0.08","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C44 H40 Cl2 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.062","0.046","","","0.1099","0.1239","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027400","7.6626","0.0002","5.8192","0.0003","21.5776","0.0008","90","","93.278","0.003","90","","960.58","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 F3 N O2 -","- C23 H20 F3 N O2 -","- C46 H40 F6 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0706","0.0661","","","0.1557","0.1589","","","","","","1.049","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027401","9.5228","0.0001","9.7155","0.0001","22.5964","0.0003","90","","90","","90","","2090.59","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0321","0.0306","","","0.0789","0.0805","","","","","","1.063","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027402","10.5822","0.0006","13.911","0.0011","14.6147","0.0011","90","","90","","90","","2151.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl2 N O3 -","- C24 H23 Cl2 N O3 -","- C96 H92 Cl8 N4 O12 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.094","0.0625","","","0.1281","0.1669","","","","","","1.072","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027403","15.882","0.0016","9.5654","0.0007","11.5424","0.0012","90","","132.73","0.1","90","","1288","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Br4 -","- C12 H8 Br4 -","- C48 H32 Br16 -","4","0.5","","Bichismitha Sahu; Guddeangadi N. Gururaja; Tarun Kumar; Anamitra Chatterjee; Bishwajit Ganguly; Shaikh M. Mobin; Irishi N. N. Namboothiri","Generation and Trapping of a Cage Annulated Vinylidenecarbene and Approaches to Its Cycloalkyne Isomer","Journal of Organic Chemistry","2012","77","","6998","7004","10.1021/jo301215d","","","0.7093","MoKα","","0.1072","0.077","","","0.1878","0.2069","","","","","","1.143","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027404","7.2921","0.0004","7.3234","0.0004","9.7967","0.0006","102.695","0.003","94.987","0.003","109.832","0.002","472.62","0.05","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","1","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0319","0.0305","","0.074","0.0728","0.074","","","","","","0.9999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027405","6.0474","0.0002","6.8974","0.0002","13.9812","0.0004","90","","96.696","0.003","90","","579.2","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","1.5418","CuKα","","0.0351","0.0329","","0.0882","0.0845","0.0869","","","","","","1.0018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027406","6.0224","0.0003","6.8706","0.0003","15.3642","0.0006","90","","93.565","0.002","90","","634.5","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C28 H40 N4 O4 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0582","0.043","","0.1052","0.0971","0.1052","","","","","","0.9669","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027407","14.4974","0.0006","15.9362","0.0007","12.8494","0.0005","90","","111.3","0.003","90","","2765.9","0.2","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B O2 -","- C30 H37 B O2 -","- C120 H148 B4 O8 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1525","0.0782","","","0.2032","0.2416","","","","","","1.226","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027408","6.9096","0.0005","28.792","0.002","16.0491","0.0012","90","","99.82","0.004","90","","3146","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 F6 -","- C37 H32 F6 -","- C148 H128 F24 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1922","0.0676","","","0.1807","0.2505","","","","","","1.002","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027409","10.2047","0.0002","12.2407","0.0002","13.1535","0.0003","90","","101.253","0.001","90","","1611.45","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 B3 O6 -","- C34 H43 B3 O6 -","- C68 H86 B6 O12 -","2","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.0826","0.0763","","","0.1862","0.1911","","","","","","1.043","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027410","6.459","0.005","15.98","0.012","24.291","0.019","90","","95.458","0.011","90","","2496","3","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2,4,7-tri-tolyl-pyrene","","","- C37 H28 -","- C37 H28 -","- C148 H112 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1256","0.0596","","","0.1478","0.1912","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027411","20.9783","0.001","7.8705","0.0004","11.662","0.0005","90","","91.72","","90","","1924.64","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Br N O3 S -","- C20 H22 Br N O3 S -","- C80 H88 Br4 N4 O12 S4 -","4","1","","Andrew J. Clark; Alana E. C. Collis; David J. Fox; Lauren L. Halliwell; Natalie James; Rachel K. O'Reilly; Hemal Parekh; Andrew Ross; Andrew B. Sellars; Helen Willcock; Paul Wilson","Atom-Transfer Cyclization with CuSO4/KBH4: A Formal ""Activators Generated by Electron Transfer"" Process Also Applicable to Atom-Transfer Polymerization","Journal of Organic Chemistry","2012","77","","6778","6788","10.1021/jo301429a","","","0.71073","MoKα","","0.0933","0.0606","","","0.1395","0.1547","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027412","24.6918","0.0003","13.08924","0.00015","29.3558","0.0004","90","","90.7654","0.0011","90","","9486.9","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H59 Au2 F6 P2 S Sb -","- C46 H59 Au2 F6 P2 S Sb -","- C368 H472 Au16 F48 P16 S8 Sb8 -","8","2","","Richard J. Mudd; Paul C. Young; James A. Jordan-Hore; Georgina M. Rosair; Ai-Lan Lee","Gold(I)-Catalyzed Addition of Thiols and Thioacids to 3,3-Disubstituted Cyclopropenes","Journal of Organic Chemistry","2012","77","","7633","7639","10.1021/jo300930c","","","1.5418","CuKα","","0.0315","0.0313","","","0.0819","0.082","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027413","9.3522","0.0017","6.0075","0.0011","12.278","0.002","90","","98.837","0.003","90","","681.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0315","0.0259","","","0.0551","0.0568","","","","","","0.993","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027414","9.8613","0.0003","16.2226","0.0005","17.3882","0.0005","90","","98.704","0.001","90","","2749.66","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","2","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0242","0.024","","","0.0625","0.0627","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027415","9.3871","0.0004","10.3132","0.0005","28.3675","0.0013","90","","90","","90","","2746.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0288","0.0257","","","0.0611","0.0623","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027416","7.4228","0.0001","7.4246","0.0001","13.3468","0.0002","82.911","0.001","89.498","0.001","77.18","0.001","711.609","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br Cl N2 -","- C14 H18 Br Cl N2 -","- C28 H36 Br2 Cl2 N4 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0228","0.0221","","","0.057","0.0576","","","","","","1.092","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027417","5.562","0.0002","7.5197","0.0002","31.5189","0.001","90","","90","","90","","1318.26","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0321","0.032","","","0.0811","0.0812","","","","","","1.079","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027418","9.1778","0.0005","11.4057","0.0007","16.8718","0.001","90","","99.864","0.001","90","","1740.02","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 Br N3 O5 S -","- C40 H36 Br N3 O5 S -","- C80 H72 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0217","0.0202","","","0.0514","0.052","","","","","","1.024","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027419","10.001","0.0002","12.0602","0.0002","23.3614","0.0004","90","","90","","90","","2817.71","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Br N2 O2 -","- C34 H31 Br N2 O2 -","- C136 H124 Br4 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0217","0.0215","","","0.0572","0.0574","","","","","","1.075","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027420","11.1883","0.0006","6.6495","0.0004","14.707","0.0008","90","","100.137","0.001","90","","1077.07","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N3 O5 S -","- C21 H22 Br N3 O5 S -","- C42 H44 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.025","0.0234","","","0.0575","0.0583","","","","","","1.039","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027421","19.8216","0.0016","8.806","0.0007","18.8374","0.0016","90","","94.835","0.001","90","","3276.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N3 O5 S -","- C39 H35 N3 O5 S -","- C156 H140 N12 O20 S4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0498","0.0406","","","0.1032","0.1112","","","","","","1.032","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027422","6.9421","0.0002","13.605","0.0003","15.4899","0.0004","90","","90","","90","","1462.98","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0333","0.0325","","","0.083","0.0844","","","","","","1.037","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027423","11.203","","15.093","","27.684","","90","","90","","90","","4681","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C91 H19 N O -","- C91 H19 N O -","- C364 H76 N4 O4 -","4","1","","Ling Ni; Wei-Wei Yang; Zong-Jun Li; Di Wu; Xiang Gao","Regioselective Oxazolination of C702- and Formation of cis-1 C70 Adduct with Respect to the Apical Pentagon","Journal of Organic Chemistry","2012","77","","7299","7306","10.1021/jo301017a","","","0.71073","MoKα","","0.0865","0.0578","","","0.1136","0.1279","","","","","","0.954","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027424","13.8598","0.0007","11.5756","0.0007","23.3102","0.0012","90","","90","","90","","3739.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H Cl N O -","- C2.13333 H1.70667 Cl0.213333 N0.213333 O0.213333 -","- C160 H128 Cl16 N16 O16 -","75","18.75","","Zhiguo Zhang; Shiliang Fang; Qingfeng Liu; Guisheng Zhang","Approach to Polysubstituted 4-Pyridones from N-Aryl Acetoacetamides via a N to C1,3-Acyl Migration Mediated by Sodium Persulfate","Journal of Organic Chemistry","2012","77","","7665","7670","10.1021/jo3010217","","","0.71073","MoKα","","0.1029","0.0502","","","0.0923","0.1111","","","","","","1.009","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027425","8.6034","0.0001","8.8273","0.0001","29.7562","0.0003","90","","92.384","0.001","90","","2257.87","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(tetramethylammonium) Methylbutenoate-2-hydroxylate-3-diazeniumdiolate trihydrate methanolate","","- C14 H40 N4 O9 -","- C14 H40 N4 O9 -","- C56 H160 N16 O36 -","4","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0801","0.0462","","","0.1129","0.1248","","","","","","0.926","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027426","7.96","0.0005","13.3679","0.0008","7.1314","0.0005","90","","110.789","0.001","90","","709.44","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 K2 N2 O5 -","- C2 H4 K2 N2 O5 -","- C8 H16 K8 N8 O20 -","4","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0182","0.0169","","","0.0432","0.0438","","","","","","1.052","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027427","8.5716","0.0002","13.3306","0.0004","11.4902","0.0004","90","","99.517","0.002","90","","1294.85","0.07","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 K N2 O4 -","- C4 H3 K N2 O4 -","- C32 H24 K8 N16 O32 -","8","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0354","0.0301","","","0.0868","0.0899","","","","","","1.052","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027428","6.45626","0.0001","19.1","0.0003","10.28008","0.00018","90","","93.5342","0.0016","90","","1265.27","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","1.54184","CuKα","","0.0417","0.0392","","0.0992","0.0964","0.0992","","","","","","0.9573","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027429","18.217","0.0003","11.5367","0.0003","18.8611","0.0004","90","","118.595","0.0013","90","","3480.43","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl3 N O3 -","- C16 H20 Cl3 N O3 -","- C128 H160 Cl24 N8 O24 -","8","2","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0754","0.0525","","0.0729","0.0554","0.0527","","","","","","1.1169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027430","9.9494","0.0002","12.344","0.0002","16.4318","0.0003","90","","98.2484","0.0008","90","","1997.2","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0744","0.0439","","0.0803","0.044","0.0414","","","","","","1.1342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027431","14.8991","0.0004","5.5973","0.0002","18.9178","0.0006","90","","108.126","0.0016","90","","1499.35","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0901","0.0479","","0.0858","0.0465","0.043","","","","","","1.1383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027432","5.6912","0.0001","11.144","0.0003","12.9653","0.0004","85.9331","0.0012","84.5582","0.0012","87.1641","0.0016","815.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C40 H48 F2 N2 O2 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0816","0.048","","0.083","0.0493","0.046","","","","","","1.1348","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027433","6.5113","0.0001","14.8776","0.0002","35.9265","0.0006","90","","95.0616","0.0006","90","","3466.72","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C160 H192 F8 N8 O8 -","8","2","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0841","0.0457","","0.106","0.0927","0.106","","","","","","0.9597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027434","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027435","15.0623","0.0003","9.4128","0.0002","17.4909","0.0004","90","","110.578","0.0009","90","","2321.6","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B Cl3 F5 N O -","- C20 H24 B Cl3 F5 N O -","- C80 H96 B4 Cl12 F20 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0886","0.07","","0.1855","0.1724","0.1855","","","","","","1.0157","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027436","9.8827","0.0002","15.4422","0.0003","12.2289","0.0003","90","","108.235","0.0009","90","","1772.54","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0494","0.0365","","0.0903","0.085","0.0903","","","","","","0.9613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027437","6.0856","0.0001","17.563","0.0004","14.1524","0.0003","90","","101.753","0.001","90","","1480.92","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0413","0.0356","","0.0827","0.0805","0.0827","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027438","12.5153","0.0004","5.484","0.0002","17.6551","0.0005","90","","103.719","0.0013","90","","1177.17","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 F N O -","- C13 H18 F N O -","- C52 H72 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0499","0.0413","","0.103","0.0986","0.103","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027439","8.0438","0.0002","10.6147","0.0002","14.3517","0.0003","79.2464","0.001","84.2125","0.001","87.7064","0.0008","1197.45","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C54 H58 F2 N4 O8 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0447","0.037","","0.0946","0.0898","0.0946","","","","","","0.9809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027440","11.27558","0.00011","17.01873","0.00018","20.3064","0.0002","90","","90","","90","","3896.72","0.07","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 F N O -","- C24 H26 F N O -","- C192 H208 F8 N8 O8 -","8","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","1.54184","CuKα","","0.0442","0.0372","","0.0967","0.0907","0.0967","","","","","","0.9959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027441","8.5321","0.0001","15.4179","0.0002","18.4954","0.0003","90","","97.311","0.0007","90","","2413.24","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C108 H116 F4 N8 O16 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0547","0.042","","0.0995","0.0929","0.0995","","","","","","0.9927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027442","10.1973","0.0002","8.2488","0.0001","24.7522","0.0005","90","","96.244","0.0006","90","","2069.69","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F N O -","- C25 H28 F N O -","- C100 H112 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0639","0.0437","","0.1135","0.1042","0.1135","","","","","","0.9457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027443","9.834","0.003","21.975","0.006","10.063","0.003","90","","101.023","0.005","90","","2134.5","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.0982","0.0538","","","0.1014","0.114","","","","","","0.802","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027444","9.157","0.004","11.436","0.005","11.83","0.005","111.732","0.008","92.678","0.007","111.409","0.008","1047.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.1081","0.0607","","","0.1243","0.1349","","","","","","0.801","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027445","10.503","0.003","12.281","0.003","11.173","0.003","90","","100.114","0.005","90","","1418.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.114","0.0568","","","0.0905","0.1034","","","","","","0.745","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027446","10.897","0.003","16.638","0.004","12.533","0.003","90","","91.566","0.005","90","","2271.4","1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frows01","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","William T. Spencer; Alison J. Frontier","Cycloaromatization Protocol for Synthesis of Polysubstituted Phenol Derivatives: Method Development and Mechanistic Studies","Journal of Organic Chemistry","2012","77","","7730","7736","10.1021/jo3010952","","","0.71073","MoKα","","0.0959","0.0522","","","0.1251","0.1472","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027447","11.1006","0.0018","15.181","0.002","7.5819","0.0012","90","","90.084","0.003","90","","1277.7","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","frows03","","","- C16 H13 D5 O -","- C16 H13 D5 O -","- C64 H52 D20 O4 -","4","1","","William T. Spencer; Alison J. Frontier","Cycloaromatization Protocol for Synthesis of Polysubstituted Phenol Derivatives: Method Development and Mechanistic Studies","Journal of Organic Chemistry","2012","77","","7730","7736","10.1021/jo3010952","","","0.71073","MoKα","","0.1003","0.067","","","0.1677","0.1898","","","","","","1.037","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027448","13.724","0.006","7.874","0.004","7.137","0.003","90","","90","","90","","771.2","0.6","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Xi-Ai Gao; Ru-Long Yan; Xian-Xue Wang; Hao Yan; Jian Li; Han Guo; Guo-Sheng Huang","Pd(II)-Catalyzed Synthesis of Benzisoxazolones from Benzohydroxamic Acids via C-H Activation","Journal of Organic Chemistry","2012","77","","7700","7705","10.1021/jo301180k","","","0.71073","MoKα","","0.0526","0.0394","","","0.092","0.0999","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027449","10.321","0.003","10.321","0.003","57.75","0.02","90","","90","","90","","6152","3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C31 H28 N3 O2 -","- C31 H28 N3 O2 -","- C248 H224 N24 O16 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.2026","0.1402","","","0.34","0.3851","","","","","","1.035","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027450","11.822","0.003","15.382","0.003","28.246","0.007","90","","90","","90","","5136","2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H26 Cl3 N3 O -","- C28 H26 Cl3 N3 O -","- C224 H208 Cl24 N24 O8 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.0825","0.0472","","","0.1071","0.1243","","","","","","1.062","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027451","10.2734","0.0003","17.7404","0.0004","14.016","0.0003","90","","129.904","0.001","90","","1959.59","0.09","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 I N O3 S -","- C22 H18 I N O3 S -","- C88 H72 I4 N4 O12 S4 -","4","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0287","0.023","","","0.0515","0.0532","","","","","","1.046","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027452","19.4403","0.0016","7.8778","0.0007","23.408","0.002","90","","90","","90","","3584.9","0.5","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C176 H144 F8 N8 O16 S8 -","8","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0869","0.0455","","","0.1165","0.1555","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027453","12.13","0.003","19.101","0.005","14.668","0.004","90","","99.951","0.003","90","","3347.4","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H46 O2 -","- C78 H46 O2 -","- C156 H92 O4 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.0833","0.0696","","","0.213","0.2259","","","","","","1.059","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027454","9.5315","0.001","21.487","0.002","17.0652","0.0019","90","","101.999","0.001","90","","3418.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 O4 -","- C82 H50 O4 -","- C164 H100 O8 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.087","0.0717","","","0.2003","0.2099","","","","","","1.205","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027455","22.661","0.003","11.8591","0.0015","16.804","0.002","90","","104.866","0.002","90","","4364.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87.32 H57.32 Cl9.96 O4 -","- C87.32 H57.32 Cl9.96 O4 -","- C174.64 H114.64 Cl19.92 O8 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.0924","0.0793","","","0.2442","0.2555","","","","","","1.055","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027456","7.4988","0.0001","25.1729","0.0004","8.5003","0.0001","90","","115.622","0.001","90","","1446.79","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Evans O. Onyango; Peter A. Jacobi","Synthetic Studies on Furanosteroids: Construction of the Viridin Core Structure via Diels-Alder/retro-Diels-Alder and Vinylogous Mukaiyama Aldol-Type Reaction","Journal of Organic Chemistry","2012","77","","7411","7427","10.1021/jo301232w","","x-ray","1.54178","CuKα","","0.0402","0.0369","","","0.0957","0.0983","","","","","","1.067","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027457","24.4458","0.0005","24.4458","0.0005","26.3085","0.0004","90","","90","","120","","13615.6","0.4","150","1","150","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30.33 H37.67 Br2 Fe N3 O1.33 -","- C30.34 H37.68 Br2 Fe N3 O1.33 -","- C546.12 H678.24 Br36 Fe18 N54 O23.94 -","18","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0596","0.0394","","","0.0865","0.0932","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027458","10.302","0.0003","9.9176","0.0003","20.2026","0.0008","90","","94.2098","0.0019","90","","2058.55","0.12","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0828","0.0511","","","0.1167","0.1317","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027459","8.0434","0.0005","11.8212","0.0008","17.4583","0.0011","90","","95.022","0.002","90","","1653.61","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Ende Li; Xingcan Cheng; Chengyu Wang; Yushang Shao; Yanzhong Li","Palladium-Catalyzed Synthesis of 2,3,4-Trisubstituted Furans via Cascade Reactions of Aryloxy-enynes with Aryl Halides","Journal of Organic Chemistry","2012","77","","7744","7748","10.1021/jo3012545","","","0.71073","MoKα","","0.0531","0.0425","","","0.1094","0.1174","","","","","","1.03","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027460","15.1","0.002","10.896","0.001","10.787","0.001","90","","90","","90","","1774.8","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","5,5-difluoro-2,8-dimethyl-3,7-di(thiophen-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinin-6-ium-5-uide","","- C19 H15 B F2 N2 S2 -","- C19 H15 B F2 N2 S2 -","- C76 H60 B4 F8 N8 S8 -","4","1","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","0.7107","MoKα","","0.0538","0.0362","","","0.0793","0.0885","","","","","","1.058","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027461","14.048","0.005","6.393","0.006","14.113","0.003","90","","90","","90","","1267.5","1.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5-difluoro-2,3,7,8-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2] diazaborinin-6-ium-5-uide","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","0.5","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","1.54187","CuKα","","0.0615","0.0464","","","0.1294","0.1525","","","","","","1.068","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027462","29.821","0.003","13.0253","0.0012","11.3123","0.001","90","","108.2","0.008","90","","4174.2","0.7","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","7,7'-([2,2'-bithiophene]-5,5'-diyl)bis(3-(5-bromothiophen-2-yl)- 5,5-difluoro-2,8-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2] diazaborinin-6-ium-5-uide)","","- C40 H30 B2 Br2 F4 N4 O0.5 S4 -","- C38 H26 B2 Br2 F4 N4 S4 -","- C152 H104 B8 Br8 F16 N16 S16 -","4","0.5","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","1.54187","CuKα","","0.1234","0.0893","","","0.257","0.3144","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027463","17.7159","0.0018","9.6703","0.0009","29.114","0.003","90","","90","","90","","4987.8","0.9","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Br Cl F N2 O -","- C28 H23 Br Cl F N2 O -","- C224 H184 Br8 Cl8 F8 N16 O8 -","8","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1201","0.0557","","","0.1372","0.1549","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027464","6.562","0.0008","15.7896","0.0016","22.268","0.002","90","","93.484","0.001","90","","2303","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl N2 O3 -","- C25 H25 Cl N2 O3 -","- C100 H100 Cl4 N8 O12 -","4","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1705","0.0599","","","0.0809","0.0966","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027465","7.744","0.008","17.071","0.016","10.665","0.01","90","","104.316","0.014","90","","1366","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N4 O S3 -","- C14 H8 N4 O S3 -","- C56 H32 N16 O4 S12 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.71075","MoKα","","0.0754","0.0604","","","0.1589","0.1841","","","","","","1.336","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027466","13.891","0.003","11.994","0.003","12.028","0.003","90","0.0016","122.982","0.002","90","0.0016","1681","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 S3 -","- C18 H14 N4 S3 -","- C72 H56 N16 S12 -","4","0.5","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0397","0.0386","","","0.1005","0.1017","","","","","","1.098","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027467","7.961","0.003","9.065","0.004","23.363","0.008","90","0.004","92.484","0.004","90","0.004","1684.4","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 S3 -","- C18 H14 N4 S3 -","- C72 H56 N16 S12 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0477","0.0444","","","0.1479","0.1528","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027468","19.399","0.003","73.053","0.006","6.4702","0.0007","90","","90","","90","","9169.3","1.9","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H26 N4 O S -","- C26 H28 N4 O S -","- C416 H448 N64 O16 S16 -","16","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0358","0.0351","","","0.1011","0.1042","","","","","","0.817","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027469","21.1724","0.0011","13.2827","0.0005","7.0396","0.0002","90","","90","","90","","1979.72","0.14","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C96 H88 N16 O8 S4 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0261","0.0261","","","0.0716","0.0716","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027470","10.505","0.002","24.665","0.004","11.273","0.002","90","","116.31","0.01","90","","2618.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 S2 -","- C28 H34 N2 O3 S2 -","- C112 H136 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.0551","0.0414","","","0.0923","0.1008","","","","","","1.02","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027471","11.5299","0.0008","10.2662","0.0004","11.8713","0.0008","90","","119.144","0.008","90","","1227.29","0.16","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C48 H60 N4 O6 S4 -","2","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0362","0.0336","","","0.0839","0.0858","","","","","","1.007","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027472","21.3898","0.0014","9.7688","0.0008","12.5363","0.0009","90","","109.462","0.005","90","","2469.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C96 H120 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1331","0.0663","","","0.1291","0.1847","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027473","5.8634","0.0001","16.1936","0.0004","29.196","0.0002","90","","90","","90","","2772.15","0.09","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.065","0.0424","","","0.079","0.1056","","","","","","1.181","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027474","6.285","0.001","17.836","0.003","27.578","0.003","90","","90","","90","","3091.5","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl3 N2 O5 S2 -","- C26 H31 Cl3 N2 O5 S2 -","- C104 H124 Cl12 N8 O20 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.1087","0.0798","","","0.2019","0.2292","","","","","","1.04","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027475","13.0891","0.0004","9.7802","0.0003","22.77","0.0016","90","","96.735","0.007","90","","2894.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1101","0.0408","","","0.0811","0.1173","","","","","","1.1","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027476","5.7918","0.0001","17.1657","0.0005","25.058","0.0017","90","","90","","90","","2491.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S2 -","- C22 H23 N3 O8 S2 -","- C88 H92 N12 O32 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0895","0.0516","","","0.1204","0.1695","","","","","","1.215","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027477","9.4174","0.0004","10.2417","0.0004","13.5578","0.0004","107.832","0.001","90.81","","93.429","0.001","1241.88","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Paul A. Vadola; Dalibor Sames","Catalytic Coupling of Arene C-H Bonds and Alkynes for the Synthesis of Coumarins: Substrate Scope and Application to the Development of Neuroimaging Agents","Journal of Organic Chemistry","2012","77","","7804","7814","10.1021/jo3006842","","","0.71073","MoKα","","0.0673","0.0476","","","0.122","0.1341","","","","","","1.031","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027478","21.575","0.014","8.693","0.005","10.727","0.006","90","","90","","90","","2012","2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H25 N O9 -","- C19 H25 N O9 -","- C76 H100 N4 O36 -","4","1","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.7107","MoKα","","0.113","0.0714","","","0.1576","0.1881","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027479","12.405","0.003","5.4897","0.0014","27.102","0.005","90","","97.034","0.016","90","","1831.7","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O9 -","- C18 H22 O9 -","- C72 H88 O36 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.71073","MoKα","","0.1858","0.0923","","","0.1834","0.2372","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027480","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.049","0.0444","","","0.1175","0.1212","","","","","","1.069","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027481","15.598","0.008","5.885","0.007","24.32","0.003","90","","99.165","0.01","90","","2204","3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.0874","0.0502","","","0.1078","0.1297","","","","","","1.021","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027482","8.064","0.002","9.03","0.002","16.884","0.005","97.742","0.003","98.905","0.003","111.668","0.002","1103.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C56 H48 O10 -","2","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.059","0.0429","","","0.1031","0.1154","","","","","","1.01","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027483","9.627","0.006","22.777","0.015","20.968","0.014","90","","90.706","0.007","90","","4597","5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 O10 -","- C56 H44 O10 -","- C224 H176 O40 -","4","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.1454","0.0588","","","0.1052","0.1468","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027484","8.4484","0.0009","5.7765","0.0007","20.541","0.003","90","","92.337","0.003","90","","1001.6","0.2","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C21 H25 N3 O6 -","- C21 H25 N3 O6 -","- C42 H50 N6 O12 -","2","1","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0758","0.0668","","","0.1806","0.1899","","","","","","1.004","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027485","6.299","0.001","39.634","0.008","9.864","0.002","90","","108.327","0.014","90","","2337.7","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C24 H28 Cl2 O6 -","- C24 H28 Cl2 O6 -","- C96 H112 Cl8 O24 -","4","2","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0956","0.0841","","","0.1676","0.1729","","","","","","1.185","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027486","8.2485","0.0012","18.038","0.003","18.437","0.003","90","","98.36","0.003","90","","2714","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-benzene","","- C30 H32 O2 -","- C30 H32 O2 -","- C120 H128 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1161","0.0759","","","0.2181","0.2447","","","","","","1.039","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027487","8.2078","0.001","17.596","0.002","17.918","0.002","90","","97.284","0.002","90","","2566.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-Benzonitrile","","- C31 H33 N O2 -","- C31 H31 N O2 -","- C124 H124 N4 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0674","0.0475","","","0.1166","0.1284","","","","","","1.018","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027488","8.0967","0.0018","17.94","0.004","17.98","0.004","89.165","0.004","83.195","0.005","89.235","0.004","2592.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-o-dichlorobenzene","","- C30 H32 Cl2 O2 -","- C30 H30 Cl2 O2 -","- C120 H120 Cl8 O8 -","4","2","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1039","0.0712","","","0.1908","0.2122","","","","","","1.061","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027489","8.201","0.0018","17.558","0.004","17.919","0.004","90","","96.593","0.005","90","","2563.1","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-nitrobenzene","","- C30 H33 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0978","0.0683","","","0.1817","0.2024","","","","","","1.054","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027490","12.377","0.003","14.581","0.004","13.551","0.004","90","","96.804","0.005","90","","2428.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-pyridine","","- C29 H33 N O2 -","- C29 H31 N O2 -","- C116 H124 N4 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0824","0.0626","","","0.1688","0.1848","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027491","17.4544","0.0018","18.217","0.002","17.9014","0.0018","90","","94.161","0.002","90","","5677","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-4Benzene","","- C72 H66 O4 -","- C69 H63 O4 -","- C276 H252 O16 -","4","2","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1577","0.0934","","","0.1878","0.2145","","","","","","1.051","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027492","8.811","0.003","18.184","0.006","17.936","0.006","90","","92.682","0.007","90","","2870.5","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-3Benzonitrile","","- C69 H57 N3 O4 -","- C69 H57 N3 O4 -","- C138 H114 N6 O8 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1288","0.0768","","","0.1564","0.1814","","","","","","1.05","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027493","7.946","0.005","16.796","0.01","18.346","0.011","90","","98.591","0.011","90","","2421","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-2Nitrobenzene","","- C60 H52 N2 O8 -","- C30 H26 N O4 -","- C120 H104 N4 O16 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1203","0.0626","","","0.1474","0.1675","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027494","8.773","0.004","18.152","0.008","17.899","0.008","90","","92.966","0.009","90","","2847","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-1Nitrobenzene-2Benzene","","- C66 H59 N O6 -","- C66 H59 N O6 -","- C132 H118 N2 O12 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1195","0.0778","","","0.1985","0.2116","","","","","","1.01","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4027495","12.268","0.002","12.809","0.002","13.237","0.002","62.041","0.003","74.343","0.003","86.046","0.003","1765.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene -4ortho-dichlorobenzene-2pyridine","","- C82 H68 Cl8 N2 O4 -","- C41 H34 Cl4 N O2 -","- C82 H68 Cl8 N2 O4 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0946","0.0702","","","0.1831","0.2008","","","","","","1.048","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027496","6.33117","0.00011","16.0227","0.0003","16.6694","0.0012","72.265","0.005","86.022","0.006","81.314","0.006","1591.66","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","2","","Santosh Keshipeddy; Isamir Martínez; Bernard F. Castillo; Martha D. Morton; Amy R. Howell","Toward a Formal Synthesis of Laureatin: Unexpected Rearrangements Involving Cyclic Ether Nucleophiles","Journal of Organic Chemistry","2012","77","","7883","7890","10.1021/jo301048z","","","1.54187","CuKα","","","0.0639","","","","0.1884","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027497","6.3318","0.0007","10.132","0.002","11.589","0.002","101.78","0.02","92.89","0.02","80.51","0.02","717.8","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","","1.54178","CuKα","","0.0525","0.0525","","0.0802","","0.0802","","","1.867","","","1.867","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027498","20.131","0.004","5.594","0.0011","10.268","0.002","90","","93.24","0.03","90","","1154.5","0.4","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","0.71073","MoKα","","0.0925","0.0563","","","0.1225","0.1412","","","","","","1.127","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027499","9.988","0.002","7.3613","0.0015","20.055","0.004","90","","101.07","0.03","90","","1447.1","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","1.54178","CuKα","","0.0891","0.0664","","","0.1774","0.1932","","","","","","1.038","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027500","8.898","0.0018","11.057","0.002","16.775","0.003","90","","90","","90","","1650.4","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C64 H104 N8 O12 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","1.54178","CuKα","","0.072","0.0407","","","0.1023","0.1147","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027501","7.5536","0.0018","7.5571","0.0018","16.888","0.004","91.672","0.003","98.728","0.003","102.127","0.003","929.7","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H22 Br N O4 S -","- C18 H22 Br N O4 S -","- C36 H44 Br2 N2 O8 S2 -","2","2","","Yun-Long Guo; Jian-Fei Bai; Lin Peng; Liang-Liang Wang; Li-Na Jia; Xi-Ya Luo; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","Direct Asymmetric Vinylogous Mannich Reaction of 3,4-Dihalofuran-2(5H)-one with Aldimine Catalyzed by Quinine","Journal of Organic Chemistry","2012","77","","8338","8343","10.1021/jo301115t","","","0.71073","MoKα","","0.0584","0.0457","","","0.1174","0.1274","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027502","7.723","0.006","14.057","0.011","9.372","0.007","90","","100.703","0.013","90","","999.7","1.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H18 F6 Fe N O P -","- C18 H18 F6 Fe N O P -","- C36 H36 F12 Fe2 N2 O2 P2 -","2","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.035","0.0339","","","0.0965","0.098","","","","","","1.035","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027503","9.4989","0.0009","14.4181","0.0014","25.099","0.002","90","","90","","90","","3437.5","0.5","132","2","132","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Mo N O7 P -","- C36 H26 Mo N O7 P -","- C144 H104 Mo4 N4 O28 P4 -","4","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.028","0.0257","","","0.062","0.063","","","","","","0.934","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027504","9.6342","0.0006","31.0416","0.0018","10.4692","0.0006","90","","107.998","0.001","90","","2977.7","0.3","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C24 H25 F12 N O P Pd Sb -","- C24 H25 F12 N O P Pd Sb -","- C96 H100 F48 N4 O4 P4 Pd4 Sb4 -","4","2","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.0306","0.029","","","0.0714","0.0724","","","","","","1.052","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027505","7.648","0.004","18.045","0.01","11.434","0.006","90","","103.497","0.007","90","","1534.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O Pd S2 -","- C14 H13 Br N2 O Pd S2 -","- C56 H52 Br4 N8 O4 Pd4 S8 -","4","1","","Qun-Li Luo; Jian-Ping Tan; Zhi-Fu Li; Wen-Hui Nan; Dong-Rong Xiao","Suzuki-Miyaura Coupling of Aryl Iodides, Bromides, and Chlorides Catalyzed by Bis(thiazole) Pincer Palladium Complexes","Journal of Organic Chemistry","2012","77","","8332","8337","10.1021/jo3011733","","","0.71073","MoKα","","0.0887","0.0686","","","0.1881","0.2041","","","","","","1.341","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027506","23.163","0.005","6.9651","0.0014","23.617","0.005","90","","118.15","0.03","90","","3359.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 O3.5 Pd S2 -","- C16 H14 N2 O3.5 Pd S2 -","- C128 H112 N16 O28 Pd8 S16 -","8","2","","Qun-Li Luo; Jian-Ping Tan; Zhi-Fu Li; Wen-Hui Nan; Dong-Rong Xiao","Suzuki-Miyaura Coupling of Aryl Iodides, Bromides, and Chlorides Catalyzed by Bis(thiazole) Pincer Palladium Complexes","Journal of Organic Chemistry","2012","77","","8332","8337","10.1021/jo3011733","","","0.71073","MoKα","","0.2588","0.0796","","","0.1347","0.1783","","","","","","0.928","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027507","9.6958","0.0006","6.1371","0.0004","10.4129","0.0006","90","","92.587","0.001","90","","618.98","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C26 H38 N2 O8 -","2","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","0.71073","MoKα","","0.0318","0.0307","","","0.0763","0.077","","","","","","1.505","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027508","5.6966","0.0001","15.5167","0.0004","19.3507","0.0005","90","","90","","90","","1710.46","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","1.54178","CuKα","","0.0312","0.0311","","","0.0842","0.0843","","","","","","1.056","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027509","10.656","0.0002","8.0887","0.0001","12.7562","0.0003","90","","105.223","0.001","90","","1060.92","0.03","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 Si -","- C21 H30 O3 Si -","- C42 H60 O6 Si2 -","2","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0406","0.0371","","","0.0895","0.0923","","","","","","1.03","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027510","19.6136","0.0012","7.3535","0.0004","16.0097","0.001","90","","100.394","0.004","90","","2271.2","0.2","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H33 N O2 Si -","- C24 H33 N O2 Si -","- C96 H132 N4 O8 Si4 -","4","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0401","0.0347","","","0.0795","0.0828","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027511","12.8713","0.0008","6.0733","0.0004","16.3916","0.001","90","","107.338","0.001","90","","1223.13","0.13","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0431","0.0403","","","0.1017","0.1052","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027512","8.0061","0.0006","12.2611","0.0009","18.0754","0.0015","90","","100.975","0.002","90","","1741.9","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0618","0.0376","","","0.0861","0.1006","","","","","","1.019","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027513","9.9079","0.0004","7.3435","0.0003","18.4664","0.0008","90","","101.148","0.001","90","","1318.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 O4 -","- C32 H32 N4 O4 -","- C64 H64 N8 O8 -","2","0.5","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0436","0.0388","","","0.1172","0.123","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027514","19.36","0.0007","19.1405","0.0007","20.7892","0.0006","90","","101.023","0.001","90","","7561.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(14R(S),15R(S))-14-Carbamoyl-15-carboxy-7- azadispiro[5.1.5.2]pentadecane-7-oxyl ethyl acetate solvate","","- C17 H27 N2 O4.5 -","- C17 H27 N2 O4.5 -","- C272 H432 N32 O72 -","16","4","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.1168","0.0742","","","0.1977","0.2377","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027515","6.6265","0.0003","20.2553","0.0009","11.5994","0.0005","90","","103.759","0.002","90","","1512.22","0.12","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","14-Carbamoyl-7-azadispiro[5.1.5.2]pentadecane-7-oxyl monohydrate","","- C15 H27 N2 O3 -","- C15 H27 N2 O3 -","- C60 H108 N8 O12 -","4","1","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.0456","0.0384","","","0.1062","0.1232","","","","","","1.127","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027516","9.2386","0.0008","24.0533","0.0017","6.5901","0.0005","90","","90","","90","","1464.4","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","14R(S),15R(S)-14,15-dicyano-7-azadispiro[5.1.5.2]pentadecane-7-oxyl","","- C16 H22 N3 O -","- C16 H22 N3 O -","- C64 H88 N12 O4 -","4","1","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.0363","0.035","","","0.0926","0.098","","","","","","1.155","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027517","7.3151","0.0008","7.761","0.0009","11.2261","0.0012","110.235","0.005","93.78","0.005","93.453","0.005","594.35","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","","Sharavathi G. Parameswarappa; F. Christopher Pigge","Intramolecular Cyclization Manifolds of 4-Alkylpyridines Bearing Ambiphilic Side Chains: Construction of Spirodihydropyridines or Benzylic Cyclization via Anhydrobase Intermediates","Journal of Organic Chemistry","2012","77","","8038","8048","10.1021/jo301247c","","","0.71073","MoKα","","0.0993","0.0688","","","0.1695","0.2008","","","","","","1.391","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027518","8.2463","0.0011","8.2323","0.0011","13.291","0.0018","90","","105.257","0.001","90","","870.5","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Ping Huang; Qin Yang; Zhiyuan Chen; Qiuping Ding; Jingshi Xu; Yiyuan Peng","Metal Cocatalyzed Tandem Alkynylative Cyclization Reaction of in Situ Formed N-Iminoisoquinolinium Ylides with Bromoalkynes via C-H Bond Activation","Journal of Organic Chemistry","2012","77","","8092","8098","10.1021/jo3013429","","","0.71073","MoKα","","0.0455","0.0373","","","0.0955","0.1012","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027519","11.0264","0.0003","12.8797","0.0003","14.4734","0.0003","90","","90","","90","","2055.46","0.09","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Sabine Strobel; Thomas Schleid; Uwe Beifuss","Cu-Catalyzed Reaction of 1,2-Dihalobenzenes with 1,3-Cyclohexanediones for the Synthesis of 3,4-Dihydrodibenzo[b,d]furan-1(2H)-ones","Journal of Organic Chemistry","2012","77","","7793","7803","10.1021/jo3014275","","","0.71073","MoKα","","0.0803","0.0617","","","0.156","0.1716","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027520","8.2833","0.0017","11.337","0.002","14.145","0.003","88.66","0.03","84.99","0.03","80.94","0.03","1306.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N6 O6 -","- C25 H34 N6 O6 -","- C50 H68 N12 O12 -","2","1","","Wei-Jun Chu; Jianming Chen; Chuan-Feng Chen; Yong Yang; Zhigang Shuai","Amidourea-Based Hydrogen-Bonded Heteroduplexes: Structure and Assembling Selectivity","Journal of Organic Chemistry","2012","77","","7815","7822","10.1021/jo301434a","","","0.71073","MoKα","","0.24","0.1392","","","0.2236","0.274","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027521","6.6086","0.0015","7.6941","0.0018","13.414","0.003","88.615","0.018","79.423","0.017","75.95","0.019","650.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ADT-TMSI","ADT-TMSI","","- C24 H24 I2 S2 Si2 -","- C24 H24 I2 S2 Si2 -","- C24 H24 I2 S2 Si2 -","1","0.5","","Masahiro Nakano; Kazuki Niimi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Isomerically Pure Anthra[2,3-b:6,7-b']-difuran (anti-ADF), -dithiophene (anti-ADT), and -diselenophene (anti-ADS): Selective Synthesis, Electronic Structures, and Application to Organic Field-Effect Transistors","Journal of Organic Chemistry","2012","77","","8099","8111","10.1021/jo301438t","","","0.71069","MoKα","","0.0686","0.0673","","","0.187","0.1882","","","","","","1.174","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027522","7.36","0.002","8.125","0.003","20.588","0.007","90","","90","","90","","1231.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Bowen Fang; Huaiji Zheng; Changgui Zhao; Peng Jing; Huilin Li; Xingang Xie; Xuegong She","Synthesis of the Tetracyclic Core (ABCE Rings) of Daphenylline","Journal of Organic Chemistry","2012","77","","8367","8373","10.1021/jo301533f","","","0.71073","MoKα","","0.0604","0.0444","","","0.0881","0.0944","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027523","7.866","0.004","11.435","0.006","13.934","0.007","74.892","0.005","75.847","0.005","80.987","0.005","1167.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O7 S -","- C21 H22 N2 O7 S -","- C42 H44 N4 O14 S2 -","2","1","","Bowen Fang; Huaiji Zheng; Changgui Zhao; Peng Jing; Huilin Li; Xingang Xie; Xuegong She","Synthesis of the Tetracyclic Core (ABCE Rings) of Daphenylline","Journal of Organic Chemistry","2012","77","","8367","8373","10.1021/jo301533f","","","0.71073","MoKα","","0.0814","0.0533","","","0.1427","0.1585","","","","","","1.044","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027524","9.6169","0.0005","12.7831","0.0009","13.5263","0.0009","90","","90.225","0.002","90","","1662.83","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Akhilesh K. Verma; Rajeev R. Jha; Ritu Chaudhary; Rakesh K. Tiwari; Kotla Siva K. Reddy; Abhinandan Danodia","Copper-Catalyzed Tandem Synthesis of Indolo-, Pyrrolo[2,1-a]isoquinolines, Naphthyridines and Bisindolo/Pyrrolo[2,1-a]isoquinolines via Hydroamination of ortho-Haloarylalkynes Followed by C-2 Arylation","Journal of Organic Chemistry","2012","77","","8191","8205","10.1021/jo301572p","","","0.71073","MoKα","","0.0657","0.0527","","","0.1309","0.1429","","","","","","1.025","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027525","14.1239","0.0007","14.642","0.0006","16.5327","0.0009","113.017","0.004","96.965","0.004","113.944","0.005","2712.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H51 N5 O3 -","- C55 H51 N5 O3 -","- C110 H102 N10 O6 -","2","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","1.54178","CuKα","","0.1041","0.083","","","0.2254","0.2358","","","","","","1.385","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027526","9.4631","0.001","14.978","0.0014","15.1031","0.0016","69.754","0.009","80.705","0.009","73.915","0.009","1924.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 Cl N4 O -","- C50 H41 Cl N4 O -","- C100 H82 Cl2 N8 O2 -","2","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.3536","0.0663","","","0.0557","0.0839","","","","","","0.635","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027527","11.5264","0.0002","26.2557","0.0004","13.4965","0.0002","90","","91.037","0.001","90","","4083.83","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H44 N4 O2 -","- C51 H44 N4 O2 -","- C204 H176 N16 O8 -","4","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.0714","0.0584","","","0.2085","0.2225","","","","","","0.925","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027528","12.5499","0.0007","29.401","0.0015","12.8567","0.0007","90","","92.946","0.005","90","","4737.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Cl6 N4 O3 -","- C52 H44 Cl6 N4 O3 -","- C208 H176 Cl24 N16 O12 -","4","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.1874","0.0595","","","0.1314","0.1648","","","","","","0.732","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027529","12.92","0.02","6.86","0.02","15.68","0.03","90","","95.1","0.2","90","","1384","5","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.04","","","","0.1","","","","","","0.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027530","6.527","0.003","22.527","0.009","9.912","0.004","90","","105.66","0.03","90","","1403.3","1","173.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.047","","","","0.088","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027531","10.1517","0.0006","14.9384","0.0008","24.3639","0.0014","90","","98.064","0.001","90","","3658.3","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Br N7 O2 -","- C42 H40 Br N7 O2 -","- C168 H160 Br4 N28 O8 -","4","1","","Kesavapillai Sreenath; Ronald J. Clark; Lei Zhu","Tricolor Emission of a Fluorescent Heteroditopic Ligand over a Concentration Gradient of Zinc(II) Ions","Journal of Organic Chemistry","2012","77","","8268","8279","10.1021/jo3016659","","","0.71073","MoKα","","0.0568","0.0392","","","0.0838","0.0909","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027532","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.0492","0.0445","","","0.1191","0.1229","","","","","","1.069","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027533","6.993","0.0014","8.711","0.0017","13.512","0.003","74.66","0.03","75.88","0.03","85.75","0.03","769.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 F N O2 S2 Si -","- C13 H14 F N O2 S2 Si -","- C26 H28 F2 N2 O4 S4 Si2 -","2","1","","Rakesh Kumar; Barbara Zajc","Stereoselective Synthesis of Conjugated Fluoro Enynes","Journal of Organic Chemistry","2012","77","","8417","8427","10.1021/jo300971w","","","0.71073","MoKα","","0.0706","0.0487","","","0.1109","0.1215","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027534","13.3608","0.0008","11.5312","0.0007","14.2727","0.0009","90","","113.297","0.001","90","","2019.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CE-OH.H2O","","","- C22 H26 O8 -","- C22 H26 O8 -","- C88 H104 O32 -","4","1","","Prem N. Basa; Andrew G. Sykes","Differential Sensing of Zn(II) and Cu(II) via Two Independent Mechanisms","Journal of Organic Chemistry","2012","77","","8428","8434","10.1021/jo301193n","","","0.71073","MoKα","","0.0737","0.044","","","0.0994","0.1148","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027535","10.3937","0.0013","10.5073","0.0013","25.914","0.003","90","","90","","90","","2830.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O9 -","- C30 H37 N O9 -","- C120 H148 N4 O36 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1954","0.0603","","","0.1795","0.2478","","","","","","1.175","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027536","10.8975","0.0004","18.7065","0.0008","11.7408","0.0005","90","","92.968","0.003","90","","2390.2","0.17","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","2","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.096","0.0482","","","0.1253","0.187","","","","","","0.99","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027537","6.9969","0.0017","11.484","0.003","27.382","0.007","90","","90","","90","","2200.2","1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C92 H112 O32 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","0.71073","MoKα","","0.0511","0.0438","","","0.0906","0.0944","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027538","10.068","0.003","9.308","0.002","11.584","0.003","90","","108.829","0.01","90","","1027.5","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C44 H48 O14 -","2","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1246","0.0714","","","0.2309","0.2943","","","","","","1.156","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027539","7.4004","0.0002","13.9268","0.0003","17.7637","0.0005","90","","91.185","0.001","90","","1830.4","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1078","0.0675","","","0.1778","0.2044","","","","","","1.039","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027540","9.4871","0.0004","16.6809","0.0007","14.2027","0.0008","90","","103.861","0.002","90","","2182.17","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1308","0.0708","","","0.1807","0.2193","","","","","","1.028","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027541","9.9265","0.0003","13.7635","0.0005","16.0077","0.0006","90","","101.314","0.002","90","","2144.53","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.0753","0.0471","","","0.1147","0.137","","","","","","0.84","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027542","6.4451","0.0002","26.2633","0.0011","9.9175","0.0005","90","","99.505","0.002","90","","1655.68","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1613","0.0642","","","0.1493","0.2046","","","","","","0.953","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027543","5.4838","0.0008","9.3179","0.0016","15.686","0.002","90.263","0.009","94.18","0.008","103.759","0.009","776.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","1","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0974","0.0821","","","0.196","0.2032","","","","","","1.1","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027544","15.0414","0.0006","8.2503","0.0003","33.904","0.0012","90","","90","","90","","4207.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H48 N4 S6 -","- C46 H48 N4 S6 -","- C184 H192 N16 S24 -","4","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0748","0.0652","","","0.1622","0.1701","","","","","","1.078","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027545","10.17209","0.00014","18.426","0.0003","18.4308","0.0003","90","","90.2749","0.0013","90","","3454.46","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C128 H144 N16 O32 S16 -","4","2","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54184","CuKα","","0.0637","0.0609","","","0.1534","0.156","","","","","","1.058","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027546","4.9134","0.0006","7.2588","0.0008","11.1904","0.0012","93.4364","0.0014","92.2282","0.0014","95.7291","0.0014","396","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-iodophenylboronic acid","","- C6 H6 B I O2 -","- C6 H6 B I O2 -","- C12 H12 B2 I2 O4 -","2","1","","Nicolas Gernigon; Raed M. Al-Zoubi; Dennis G. Hall","Direct Amidation of Carboxylic Acids Catalyzed byortho-Iodo Arylboronic Acids: Catalyst Optimization, Scope, and Preliminary Mechanistic Study Supporting a Peculiar Halogen Acceleration Effect","Journal of Organic Chemistry","2012","77","","8386","8400","10.1021/jo3013258","","","0.71073","MoKα","","0.0263","0.0257","","","0.0662","0.0667","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027547","8.6065","0.0002","14.1372","0.0006","21.6104","0.0009","90","","90","","90","","2629.38","0.17","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 F2 N O4 Si2 -","- C20 H39 F2 N O4 Si2 -","- C80 H156 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.1003","0.0888","","","0.2369","0.2518","","","","","","1.068","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027548","9.943","0.0002","12.3857","0.0004","21.2265","0.0007","90","","90","","90","","2614.07","0.13","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 F2 N O4 Si2 -","- C21 H41 F2 N O4 Si2 -","- C84 H164 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.0482","","","0.1034","0.1164","","","","","","1.044","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027549","6.1397","0.0001","10.0767","0.0003","31.8096","0.0011","90","","90","","90","","1967.99","0.1","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F2 N O4 -","- C22 H23 F2 N O4 -","- C88 H92 F8 N4 O16 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.053","","","0.1297","0.141","","","","","","1.049","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027550","6.4369","0.0002","10.2183","0.0002","21.4391","0.0007","90","","90","","90","","1410.14","0.07","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 F2 N O2 -","- C13 H23 F2 N O2 -","- C52 H92 F8 N4 O8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0509","0.0449","","","0.1229","0.1292","","","","","","1.054","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027551","11.898","0.002","8.131","0.0006","12.412","0.002","90","","114.293","0.004","90","","1094.4","0.3","298","2","298","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C23 H25 F2 N O4 -","- C23 H25 F2 N O4 -","- C46 H50 F4 N2 O8 -","2","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","","0.71073","MoKα","","0.097","0.0553","","","0.1265","0.1508","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027552","9.9052","0.0002","10.4099","0.0003","15.6229","0.0004","90","","100.067","0.002","90","","1586.11","0.07","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","","Krishnendu Bera; Soumen Sarkar; Swapnadeep Jalal; Umasish Jana","Synthesis of Substituted Phenanthrene by Iron(III)-Catalyzed Intramolecular Alkyne-Carbonyl Metathesis","Journal of Organic Chemistry","2012","77","","8780","8786","10.1021/jo301371n","","","0.71073","MoKα","","0.0697","0.0499","","","0.1362","0.1502","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027553","11.3522","0.0002","12.9233","0.0003","9.3901","0.0001","90","","90","","90","","1377.6","0.04","200","","200","","","","","","","","local","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 F5 N O4 -","- C12 H10 F5 N O4 -","- C48 H40 F20 N4 O16 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0372","0.0325","","0.0829","0.08","0.0829","","","","","","1.0015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027554","8.2952","0.0002","11.0345","0.0003","17.188","0.0004","90","","103.883","0.0014","90","","1527.31","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C60 H60 N4 O20 S4 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.049","0.0334","","0.0884","0.0846","0.0884","","","","","","0.9237","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027555","13.2294","0.0003","5.3122","0.0001","25.1873","0.0005","90","","97.6851","0.0013","90","","1754.19","0.06","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl3 N O3 -","- C17 H16 Cl3 N O3 -","- C68 H64 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0525","0.0404","","0.1058","0.1004","0.1058","","","","","","0.9907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027556","10.5574","0.0001","11.1904","0.0002","12.0818","0.0002","90","","104.971","0.0009","90","","1378.91","0.04","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C44 H48 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0341","0.0317","","0.0801","0.0783","0.0801","","","","","","1.0021","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027557","9.7962","0.0004","10.5984","0.0003","13.7503","0.0005","90","","90.062","0.002","90","","1427.61","0.09","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Cl3 N O3 -","- C12 H14 Cl3 N O3 -","- C48 H56 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.047","0.0337","","0.084","0.0772","0.084","","","","","","1.0001","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027558","6.5153","0.0001","9.6632","0.0003","11.5125","0.0004","88.8571","0.0015","77.467","0.002","85.8","0.002","705.63","0.04","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C22 H24 Cl6 N2 O6 -","2","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0412","0.0359","","0.0932","0.0897","0.0932","","","","","","0.9934","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027559","8.3539","0.0013","9.2782","0.0014","13.883","0.002","101.664","0.002","90.914","0.002","115.71","0.002","942.9","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S -","- C10 H8 N2 O S -","- C40 H32 N8 O4 S4 -","4","2","","Yongmei Zhao; Yanmiao Wu; Jiong Jia; Dongju Zhang; Chen Ma","One-Pot Synthesis of Benzo[1,4]thiazin-3(4H)-ones and a Theoretical Study of the S-N Type Smiles Rearrangement Mechanism","Journal of Organic Chemistry","2012","77","","8501","8506","10.1021/jo3014287","","","0.71073","MoKα","","0.0544","0.0381","","","0.0989","0.1099","","","","","","1.017","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027560","12.7506","0.001","9.9723","0.0008","13.5743","0.0011","90","","116.398","0.001","90","","1546","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F6 N2 -","- C17 H14 F6 N2 -","- C68 H56 F24 N8 -","4","1","","Artur K. Mailyan; Alexander S. Peregudov; Pierre H. Dixneuf; Christian Bruneau; Sergey N. Osipov","Cyclobutene Ring-Opening of Bicyclo[4.2.0]octa-1,6-dienes: Access to CF3-Substituted 5,6,7,8-Tetrahydro-1,7-naphthyridines","Journal of Organic Chemistry","2012","77","","8518","8526","10.1021/jo301501r","","","0.71073","MoKα","","0.0564","0.0482","","","0.1339","0.1432","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027561","10.116","0.005","11.267","0.006","16.714","0.004","90","","90","","90","","1905","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N O5 -","- C23 H16 Cl N O5 -","- C92 H64 Cl4 N4 O20 -","4","1","","Sumit K. Ray; Pradeep K. Singh; Nagaraju Molleti; Vinod K. Singh","Enantioselective Synthesis of Coumarin Derivatives by PYBOX-DIPH-Zn(II) Complex Catalyzed Michael Reaction","Journal of Organic Chemistry","2012","77","","8802","8808","10.1021/jo301513x","","","0.71069","MoKα","","0.0633","0.0486","","","0.0986","0.1098","","","","","","1.077","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027562","11.789","0.001","5.3518","0.0005","30.328","0.003","90","","95.048","0.008","90","","1906","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C108 H76 N4 O8 -","4","1","","Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma","Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines","Journal of Organic Chemistry","2012","77","","8562","8573","10.1021/jo3015374","","","0.71073","MoKα","","0.071","0.0532","","","0.1211","0.1282","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027563","30.5692","0.0016","7.513","0.0003","17.2889","0.0008","90","","90.341","0.004","90","","3970.6","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 I N O3 -","- C24 H18 I N O3 -","- C192 H144 I8 N8 O24 -","8","1","","Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma","Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines","Journal of Organic Chemistry","2012","77","","8562","8573","10.1021/jo3015374","","","0.71073","MoKα","","0.0222","0.0195","","","0.0497","0.0505","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027564","13.2473","0.0003","11.0985","0.0002","30.004","0.0007","90","","90","","90","","4411.34","0.16","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.1119","0.0538","","","0.1113","0.1354","","","","","","1.006","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027565","8.2964","0.0002","11.3994","0.0003","9.5886","0.0003","90","","90.87","0.001","90","","906.73","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.0373","0.0345","","","0.0942","0.0967","","","","","","1.05","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027566","6.579","0.002","8.691","0.003","12.535","0.005","90","","97.438","0.007","90","","710.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Adán B. González-Pérez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","Mechanistic and Sterochemical Insights on the Pt-Catalyzed Rearrangement of Oxiranylpropargylic Esters to Cyclopentenones","Journal of Organic Chemistry","2012","77","","8733","8743","10.1021/jo301651r","","","0.71073","MoKα","","0.0763","0.0441","","","0.105","0.1258","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027567","12.2137","0.0013","6.9492","0.0008","37.007","0.004","90","","96.598","0.002","90","","3120.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","2","","Adán B. González-Pérez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","Mechanistic and Sterochemical Insights on the Pt-Catalyzed Rearrangement of Oxiranylpropargylic Esters to Cyclopentenones","Journal of Organic Chemistry","2012","77","","8733","8743","10.1021/jo301651r","","","0.71073","MoKα","","0.1013","0.0457","","","0.1105","0.1486","","","","","","1.02","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027568","28.679","0.002","5.3909","0.0004","21.5262","0.0016","90","","106.523","0.002","90","","3190.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 F O -","- C19 H21 F O -","- C152 H168 F8 O8 -","8","1","","Xiaowei Lin; Feng Zheng; Feng-Ling Qing","Regio- and Diastereoselective Nickel-Catalyzed Allylation of Aromatic Aldehydes with α-Halo-β,β-difluoropropene Derivatives","Journal of Organic Chemistry","2012","77","","8696","8704","10.1021/jo301688d","","","0.71073","MoKα","","0.0562","0.0463","","","0.1205","0.1292","","","","","","1.037","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027569","15.587","0.002","6.0979","0.0008","11.5256","0.0015","90","","103.146","0.002","90","","1066.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 O6 P2 -","- C18 H30 N2 O6 P2 -","- C36 H60 N4 O12 P4 -","2","0.5","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0431","0.0385","","","0.099","0.1021","","","","","","1.077","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027570","22.0358","0.0019","6.0237","0.0005","24.783","0.002","90","","90","","90","","3289.6","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0876","0.0802","","","0.1989","0.205","","","","","","1.168","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027571","5.5991","0.0008","10.837","0.0015","13.4812","0.0018","104.942","0.012","99.962","0.011","96.168","0.011","768.43","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 N O5 P -","- C13 H22 N O5 P -","- C26 H44 N2 O10 P2 -","2","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0691","0.0483","","","0.1229","0.1337","","","","","","1.081","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027572","8.0841","0.0011","6.8413","0.0009","20.348","0.003","90","","103.655","0.005","90","","1093.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0787","0.0548","","","0.1325","0.1447","","","","","","1.058","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027573","11.605","0.003","20.308","0.005","10.711","0.003","90","","106.598","0.005","90","","2419.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.2527","0.1027","","","0.1558","0.1973","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027574","26.308","0.004","7.3631","0.0012","18.361","0.003","90","","127.008","0.002","90","","2840.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","anti-36","","","- C16 H13 F5 O2 -","- C16 H13 F5 O2 -","- C128 H104 F40 O16 -","8","1","","Peng Zhang; Christian Wolf","Synthesis of Pentafluorinated β-Hydroxy Ketones","Journal of Organic Chemistry","2012","77","","8840","8844","10.1021/jo3017583","","","0.71073","MoKα","","0.0406","0.034","","","0.084","0.0882","","","","","","1.122","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027575","10.6771","0.0002","10.6771","0.0002","21.568","0.0008","90","","90","","90","","2458.76","0.11","293","2","293","2","","","","","","","synthesis as described","3","P 41","P 4w","76","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","1.5418","CuKα","","0.0415","0.0337","","","0.0838","0.0866","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027576","8.0272","0.0004","25.3773","0.0012","9.6448","0.0004","90","","91.76","","90","","1963.8","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H25 Br N O2.5 -","- C19 H25 Br N O2.5 -","- C76 H100 Br4 N4 O10 -","4","2","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","0.71073","MoKα","","0.135","0.0402","","","0.0631","0.0722","","","","","","0.702","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027577","16.43","0.002","5.3391","0.0008","21.585","0.003","90","","107.66","0.002","90","","1804.2","0.4","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","0.71073","MoKα","","0.0455","0.0379","","","0.0965","0.1025","","","","","","1.038","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027578","8.032","0.004","13.461","0.006","16.37","0.008","90","","90","","90","","1769.9","1.5","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O5 -","- C20 H27 O5 -","- C80 H108 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.1025","0.0501","","","0.0779","0.0892","","","","","","1.005","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027579","12.689","0.007","12.547","0.007","11.914","0.007","90","","114.756","0.019","90","","1722.5","1.7","383","2","383","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.2899","0.0591","","","0.0681","0.1262","","","","","","1.007","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027580","7.1136","0.0009","10.69","0.0013","12.643","0.0016","88.659","0.009","86.896","0.009","70.776","0.009","906.5","0.2","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.0521","0.0406","","","0.1015","0.1062","","","","","","1.05","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027581","8.1672","0.0009","12.5208","0.0019","12.8466","0.0018","62.988","0.004","87.794","0.005","89.783","0.005","1169.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H17 Cl3 N2 O -","- C28 H17 Cl3 N2 O -","- C56 H34 Cl6 N4 O2 -","2","1","","Marco Santella; Virginia Mazzanti; Martyn Jevric; Christian Richard Parker; Søren Lindbaek Broman; Andrew D. Bond; Mogens Brøndsted Nielsen","Dihydroazulene-Buckminsterfullerene Conjugates","Journal of Organic Chemistry","2012","77","","8922","8932","10.1021/jo301306y","","","0.71073","MoKα","","0.0781","0.0458","","","0.0986","0.1121","","","","","","1.017","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027582","15.7913","0.0015","10.545","0.0011","16.6502","0.0017","90","","90.77","0.006","90","","2772.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MJ03","","","- C96 H22 I2 N4 -","- C96 H22 I2 N4 -","- C192 H44 I4 N8 -","2","0.5","","Marco Santella; Virginia Mazzanti; Martyn Jevric; Christian Richard Parker; Søren Lindbaek Broman; Andrew D. Bond; Mogens Brøndsted Nielsen","Dihydroazulene-Buckminsterfullerene Conjugates","Journal of Organic Chemistry","2012","77","","8922","8932","10.1021/jo301306y","","","0.71073","MoKα","","0.1036","0.0613","","","0.13","0.1453","","","","","","1.042","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027583","12.495","0.004","11.278","0.003","18.337","0.005","90","","99.091","0.006","90","","2551.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl3 N3 O2 -","- C28 H22 Cl3 N3 O2 -","- C112 H88 Cl12 N12 O8 -","4","1","","Ming Li; Peng Shao; Shu-Wen Wang; Wei Kong; Li-Rong Wen","Four-Component Cascade Heteroannulation of Heterocyclic Ketene Aminals: Synthesis of Functionalized Tetrahydroimidazo[1,2-a]pyridine Derivatives","Journal of Organic Chemistry","2012","77","","8956","8967","10.1021/jo3013836","","","0.71073","MoKα","","0.1439","0.1141","","","0.1456","0.155","","","","","","1.286","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027584","8.852","0.005","7.722","0.005","26.705","0.005","90","0.005","93.784","0.005","90","0.005","1821.4","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(thiophene-2-yl)-4-p-tolylnaphtho[2,3-b]thiophene","","- C21 H15 S2 -","- C23 H16 S2 -","- C92 H64 S8 -","4","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.0692","0.0388","","","0.0921","0.1103","","","","","","1.009","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027585","11.7061","0.0006","28.9651","0.0012","8.9072","0.0004","90","","90","","90","","3020.1","0.2","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","6-(thiophen-2-yl)benzo[b]naphtha[2,3-d]thiophene","","- C20 H12 S2 -","- C20 H12 S2 -","- C160 H96 S16 -","8","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.0666","0.0368","","","0.0877","0.1029","","","","","","1.04","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027586","9.0328","0.0006","10.9285","0.0008","11.0232","0.0008","105.619","0.004","95.63","0.004","111.055","0.004","954.75","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","7-phenylanthra[2,3-d]benzo[b]thiophene","","- C26 H16 S -","- C26 H16 S -","- C52 H32 S2 -","2","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.119","0.1067","","","0.3673","0.3877","","","","","","1.747","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027587","10.735","0.006","16.83","0.008","19.618","0.009","90","","95.45","0.02","90","","3528","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Se6 -","- C30 H54 Se6 -","- C120 H216 Se24 -","4","1","","Dayna L. Turner; Thomas P. Vaid","Synthesis of Protected Benzenepolyselenols","Journal of Organic Chemistry","2012","77","","9397","9400","10.1021/jo301447h","","","0.71073","MoKα","","0.1263","0.0702","","","","0.2174","","","","","","0.992","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027588","10.6088","0.0009","11.2696","0.0012","15.5586","0.0015","70.237","0.008","85.636","0.007","77.221","0.007","1707.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N3 O10 -","- C36 H38 N3 O10 -","- C72 H76 N6 O20 -","2","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.0651","0.0396","","","0.0803","0.0838","","","","","","1.04","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027589","18.019","0.004","15.495","0.003","23.592","0.005","90","","90","","90","","6587","2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl N3 O10 -","- C32 H34 Cl N3 O10 -","- C256 H272 Cl8 N24 O80 -","8","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.1753","0.1529","","","0.3297","0.338","","","","","","1.111","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027590","12.4645","0.0013","14.0496","0.001","18.536","0.002","90","","104.63","0.008","90","","3140.8","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 N3 O10 -","- C32 H35 N3 O10 -","- C128 H140 N12 O40 -","4","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.0984","0.0479","","","0.097","0.1029","","","","","","0.967","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027591","11.759","0.002","13.661","0.003","13.815","0.003","73.33","0.03","67.47","0.03","83.35","0.03","1963.7","0.9","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","cyclo(Leu-D-Leu-Aib)2","","","- C33 H62 N6 O7 -","- C33 H62 N6 O7 -","- C66 H124 N12 O14 -","2","2","","Yosuke Demizu; Saori Nagoya; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Masaaki Kurihara","Twisted Structure of a Cyclic Hexapeptide Containing a Combination of Alternating l-Leu-d-Leu-Aib Segments","Journal of Organic Chemistry","2012","77","","9361","9365","10.1021/jo301509c","","","0.71073","MoKα","","0.0919","0.0774","","","0.2134","0.2288","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027592","8.073","0.007","17.079","0.014","18.725","0.015","90","","90","","90","","2582","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O S Si -","- C26 H33 N3 O S Si -","- C104 H132 N12 O4 S4 Si4 -","4","1","","Yu Peng; Yu-Man Dong; Ming Dong; Ya-Wen Wang","A Selective, Sensitive, Colorimetric, and Fluorescence Probe for Relay Recognition of Fluoride and Cu(II) Ions with ""Off-On-Off"" Switching in Ethanol-Water Solution","Journal of Organic Chemistry","2012","77","","9072","9080","10.1021/jo301548v","","","0.71073","MoKα","","0.1054","0.0772","","","0.1852","0.2119","","","","","","1.035","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027593","14.6652","0.0005","14.6652","0.0005","7.5699","0.0003","90","","90","","90","","1628.04","0.1","173.1","","173.1","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H44 Cu4 I4 N4 -","- C20 H44 Cu4 I4 N4 -","- C40 H88 Cu8 I8 N8 -","2","0.25","","Mingwen Zhu; Ken-ichi Fujita; Ryohei Yamaguchi","Aerobic Oxidative Amidation of Aromatic and Cinnamic Aldehydes with Secondary Amines by CuI/2-Pyridonate Catalytic System","Journal of Organic Chemistry","2012","77","","9102","9109","10.1021/jo301553v","","","0.71075","MoKα","","","0.032","","","","0.0337","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027594","16.1631","0.0003","17.2094","0.0004","18.0568","0.0003","90","","106.224","0.002","90","","4822.61","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H59.5 N6 O6 Pd -","- C51.5 H59.5 N6 O6 Pd -","- C206 H238 N24 O24 Pd4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.7107","MoKα","","0.069","0.0465","","","0.1416","0.1468","","","","","","1.223","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027595","6.8234","0.0002","9.2369","0.0002","9.4964","0.0002","80.708","0.001","74.517","0.001","79.485","0.001","563.09","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C30 H24 N4 O2 -","2","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0515","0.0424","","","0.1076","0.1145","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027596","7.8322","0.0002","17.051","0.0004","9.8396","0.0002","90","","111.932","0.001","90","","1218.95","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0807","0.0467","","","0.1102","0.1253","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027597","7.094","0.0003","10.3688","0.0004","16.6945","0.0008","90","","90","","90","","1227.99","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0475","0.0368","","","0.0825","0.0868","","","","","","1.306","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027598","10.3353","0.0002","19.1288","0.0004","7.0464","0.0001","90","","97.652","0.001","90","","1380.68","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0599","0.048","","","0.1264","0.1336","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027599","7.2403","0.0015","9.903","0.002","17.387","0.004","90","","90","","90","","1246.7","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0866","0.0435","","","0.1029","0.1234","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027600","8.7269","0.0011","19.5851","0.0017","10.0288","0.0006","90","","101.028","0.008","90","","1682.4","0.3","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Mikhail V. Varaksin; Irina A. Utepova; Oleg N. Chupakhin; Valery N. Charushin","Palladium(II)-Catalyzed Oxidative C-H/C-H Coupling and Eliminative SNH Reactions in Direct Functionalization of Imidazole Oxides with Indoles","Journal of Organic Chemistry","2012","77","","9087","9093","10.1021/jo301618b","","","0.71073","MoKα","","0.102","0.0325","","","0.0365","0.039","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027601","7.0534","0.0007","9.6657","0.001","13.8868","0.0014","84.001","0.008","77.75","0.009","74.099","0.009","888.71","0.16","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Mikhail V. Varaksin; Irina A. Utepova; Oleg N. Chupakhin; Valery N. Charushin","Palladium(II)-Catalyzed Oxidative C-H/C-H Coupling and Eliminative SNH Reactions in Direct Functionalization of Imidazole Oxides with Indoles","Journal of Organic Chemistry","2012","77","","9087","9093","10.1021/jo301618b","","","0.71073","MoKα","","0.1356","0.0403","","","0.0652","0.072","","","","","","1","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027602","15.7466","0.0017","15.9485","0.0018","8.156","0.001","90","","90","","90","","2048.3","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C112 H96 N8 -","4","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0411","0.0398","","","0.0914","0.092","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027603","12.5742","0.0014","10.484","0.0011","14.8433","0.0015","90","0.001","96.8734","0.001","90","0.001","1942.7","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H56 N2 -","- C46 H56 N2 -","- C92 H112 N4 -","2","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0593","0.0555","","","0.127","0.1292","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027604","11.3501","0.0009","10.9536","0.0008","15.5409","0.0013","90","0.001","97.3418","0.0011","90","0.001","1916.3","0.3","153","2","153","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C46 H58 N2 -","- C46 H58 N2 -","- C92 H116 N4 -","2","0.5","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0558","0.0538","","","0.1337","0.1354","","","","","","1.122","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027605","9.0364","0.0004","9.0364","0.0004","14.7769","0.0009","90","","90","","90","","1206.63","0.11","293","2","293.15","","","","","","","","","6","P 41","P 4w","76","","","","- C13 H11 F N O S -","- C13 H10 F N O S -","- C52 H40 F4 N4 O4 S4 -","4","1","","Jun Li; Yunfei Cai; Weiliang Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly Enantioselective Fluorination of Unprotected 3-Substituted Oxindoles: One-Step Synthesis of BMS 204352 (MaxiPost)","Journal of Organic Chemistry","2012","77","","9148","9155","10.1021/jo301705t","","","0.7107","MoKα","","0.0638","0.0475","","","0.1087","0.1229","","","","","","1.067","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027606","9.689","0.006","10.771","0.007","10.909","0.007","83.523","0.006","72.003","0.006","72.64","0.006","1033.2","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H21 N -","- C29 H21 N -","- C58 H42 N2 -","2","1","","Xiao-Feng Xia; Ning Wang; Lu-Lu Zhang; Xian-Rong Song; Xue-Yuan Liu; Yong-Min Liang","Palladium(II)-Catalyzed Tandem Cyclization/C-H Functionalization of Alkynes for the Synthesis of Functionalized Indoles","Journal of Organic Chemistry","2012","77","","9163","9170","10.1021/jo301741j","","","0.71073","MoKα","","0.0918","0.0508","","","0.1091","0.1271","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027607","16.843","0.008","18.307","0.009","11.541","0.006","90","","105.894","0.005","90","","3423","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 F N -","- C24 H18 F N -","- C192 H144 F8 N8 -","8","1","","Xiao-Feng Xia; Ning Wang; Lu-Lu Zhang; Xian-Rong Song; Xue-Yuan Liu; Yong-Min Liang","Palladium(II)-Catalyzed Tandem Cyclization/C-H Functionalization of Alkynes for the Synthesis of Functionalized Indoles","Journal of Organic Chemistry","2012","77","","9163","9170","10.1021/jo301741j","","","0.71073","MoKα","","0.0887","0.0427","","","0.0962","0.127","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027608","10.68236","0.00019","3.83987","0.00007","12.9514","0.0002","90","","111.159","0.001","90","","495.436","0.015","95","2","95","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","FT-TF","5,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C24 H12 O4 S4 -","2","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0317","0.0311","","","0.0868","0.0873","","","","","","1.066","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027609","10.3846","0.0002","20.5813","0.0004","4.71636","0.0001","90","","90","","90","","1008.02","0.03","95","2","95","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","TF-TF","2,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","1","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0581","0.0384","","","0.0706","0.101","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027610","10.22625","0.0001","5.79315","0.0001","16.6887","0.0003","90","","90","","90","","988.68","0.03","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TF-FT","2,2'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0315","0.0299","","","0.0793","0.0806","","","","","","1.128","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027611","9.2917","0.001","18.442","0.002","19.455","0.002","90","","94.085","0.004","90","","3325.3","0.6","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O7 -","- C15 H20 O7 -","- C120 H160 O56 -","8","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0625","0.0495","","","0.1361","0.1502","","","","","","0.986","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027612","7.8514","0.0009","10.0365","0.0011","17.1","0.002","90","","92.832","0.004","90","","1345.8","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O7 -","- C12 H16 O7 -","- C48 H64 O28 -","4","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0535","0.0416","","","0.1224","0.1404","","","","","","1.012","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027613","9.2928","0.0013","9.495","0.0015","10.1967","0.0017","92.191","0.005","116.979","0.005","111.629","0.005","722.1","0.2","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0727","0.0535","","","0.1248","0.1358","","","","","","1.151","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027614","8.1652","0.0006","12.6259","0.0009","14.254","0.0011","90","","90","","90","","1469.49","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C52 H72 O28 -","4","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0387","0.0326","","","0.0807","0.0851","","","","","","1.031","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027615","22.2814","0.0005","22.3082","0.0005","23.4074","0.0005","89.896","0.002","74.785","0.002","88.907","0.002","11224.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 Cl6 O11 -","- C52 H56 Cl6 O11 -","- C416 H448 Cl48 O88 -","8","4","","Luzhi Liu; Lingyun Wang; Changchun Liu; Zhiyong Fu; Herbert Meier; Derong Cao","Dimerization Control in the Self-Assembly Behavior of Copillar[5]arenes Bearing ω-Hydroxyalkoxy Groups","Journal of Organic Chemistry","2012","77","","9413","9417","10.1021/jo301779y","","","1.54178","CuKα","","0.1925","0.1741","","","0.4997","0.5424","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027616","8.139","0.002","18.435","0.005","11.81","0.004","90","","95.955","0.005","90","","1762.4","0.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0828","0.0728","","","0.1576","0.1634","","","","","","1.204","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027617","13.333","0.003","8.0402","0.0016","14.989","0.003","90","","90","","90","","1606.8","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","0.5","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0696","0.0655","","","0.137","0.1393","","","","","","1.212","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027618","8.4399","0.0017","9.5116","0.0019","23.546","0.005","90","","90","","90","","1890.2","0.7","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0499","0.0489","","","0.1241","0.1249","","","","","","1.144","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027619","13.114","0.003","23.968","0.005","9.0151","0.0018","90","","109","0.03","90","","2679.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C116 H124 N12 O20 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.1265","0.1097","","","0.232","0.2412","","","","","","1.271","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027620","12.972","0.003","23.832","0.005","9.0202","0.0018","90","","109.28","0.03","90","","2632.2","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C120 H124 N12 O16 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.1991","0.1419","","","0.234","0.2582","","","","","","1.252","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027621","10.7081","0.0018","11.528","0.003","15.923","0.004","82.572","0.013","71.608","0.011","62.462","0.009","1653.5","0.7","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","2","","Yoichiro Kuninobu; Takuya Yoshida; Kazuhiko Takai","Correction to Palladium-Catalyzed Synthesis of Dibenzophosphole Oxides via Intramolecular Dehydrogenative Cyclization","Journal of Organic Chemistry","2012","77","","9436","9436","10.1021/jo3021506","","","0.71075","MoKα","","","0.0549","","","","0.1479","","","","","","1.112","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027622","12.0996","0.0005","13.4499","0.0004","14.127","0.0006","90","","110.834","0.005","90","","2148.68","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N -","- C30 H21 N -","- C120 H84 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0694","0.044","","","0.1018","0.1174","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027623","6.8494","0.0003","12.5402","0.0004","12.5449","0.0005","90","","96.212","0.004","90","","1071.19","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H23 N -","- C30 H23 N -","- C60 H46 N2 -","2","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.046","0.0377","","","0.0818","0.088","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027624","17.6833","0.001","8.4181","0.0004","18.4664","0.0009","90","","101.609","0.005","90","","2692.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N -","- C37 H27 N -","- C148 H108 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0797","0.0473","","","0.1086","0.1263","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027625","8.7794","0.0003","14.9065","0.0006","16.4959","0.0007","75.161","0.003","75.409","0.003","88.174","0.003","2018.29","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 I N2 O2 -","- C24 H15 I N2 O2 -","- C96 H60 I4 N8 O8 -","4","2","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0548","0.043","","","0.1052","0.1117","","","","","","1.073","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027626","12.2313","0.0008","15.1198","0.0008","10.5013","0.0006","90","","96.38","0.006","90","","1930","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N -","- C26 H23 N -","- C104 H92 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0722","0.046","","","0.1137","0.1304","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027627","16.0637","0.0006","9.4505","0.0003","14.8945","0.0005","90","","100.187","0.003","90","","2225.49","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N -","- C31 H23 N -","- C124 H92 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.063","0.0409","","","0.0946","0.1096","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027628","9.7999","0.0003","15.8866","0.0006","15.9762","0.0006","90","","101.335","0.004","90","","2438.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 I N O -","- C31 H22 I N O -","- C124 H88 I4 N4 O4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0465","0.0322","","","0.07","0.0771","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027629","8.6864","0.0005","17.6725","0.0012","20.2622","0.0013","90","","90","","90","","3110.5","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Diego Núñez-Villanueva; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez","Azepane Quaternary Amino Acids As Effective Inducers of 310Helix Conformations","Journal of Organic Chemistry","2012","77","","9833","9839","10.1021/jo301379r","","","1.5418","CuKα","","0.0535","0.0523","","","0.1417","0.1433","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027630","10.4087","0.0004","11.763","0.0003","22.0902","0.0007","90","","90","","90","","2704.67","0.15","292","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O Se -","- C15 H11 F2 N O Se -","- C120 H88 F16 N8 O8 Se8 -","8","2","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0449","0.0312","","","0.0534","0.0563","","","","","","0.939","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027631","9.0384","0.0003","7.883","0.0003","27.4231","0.0011","90","","90","","90","","1953.89","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br O2 -","- C10 H9 Br O2 -","- C80 H72 Br8 O16 -","8","1","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0987","0.0387","","","0.0802","0.0968","","","","","","1.015","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027632","7.256","0.0006","19.1627","0.0017","12.7919","0.0011","90","","96.11","0.002","90","","1768.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Fe O7 -","- C19 H18 Fe O7 -","- C76 H72 Fe4 O28 -","4","1","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0401","0.0335","","","0.0811","0.0848","","","","","","1.033","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027633","12.145","0.003","16.906","0.004","18.104","0.004","68.923","0.004","84.618","0.004","78.411","0.004","3396.8","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H41.5 Fe O7 Si -","- C36.5 H41.5 Fe O7 Si -","- C146 H166 Fe4 O28 Si4 -","4","2","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0846","0.0601","","","0.1413","0.1568","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027634","21.2199","0.0013","10.4053","0.0007","18.6446","0.0012","90","","108.283","0.001","90","","3908.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Fe O7 -","- C20 H22 Fe O7 -","- C160 H176 Fe8 O56 -","8","2","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0525","0.0372","","","0.0859","0.0937","","","","","","1.031","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027635","7.521","0.0003","7.9161","0.0003","12.1346","0.0004","80.898","0.002","72.304","0.002","87.498","0.002","679.6","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","Pactamycate Ethanol Solvate","","","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","1","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0326","0.0317","","","0.0841","0.0848","","","","","","1.046","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027636","13.6063","0.0002","9.6562","0.0001","14.2364","0.0003","90","","98.806","0.001","90","","1848.4","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N O6 Si2 -","- C38 H51 N O6 Si2 -","- C76 H102 N2 O12 Si4 -","2","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0319","","","0.0794","0.0797","","","","","","1.075","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027637","26.146","0.002","26.146","0.002","9.7191","0.0008","90","","90","","120","","5754","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 61","P 61","169","","","","- C40 H42 Br N O7 Si -","- C40 H42 Br N O7 Si -","- C240 H252 Br6 N6 O42 Si6 -","6","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1643","0.1036","","","0.2734","0.2959","","","","","","1.086","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027638","29.813","0.004","9.5757","0.0016","11.6715","0.0018","90","","111.443","0.008","90","","3101.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C31 H33 N3 O9 -","- C31 H33 N3 O9 -","- C124 H132 N12 O36 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1183","0.0951","","","0.2455","0.2649","","","","","","1.09","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027639","15.7089","0.0005","9.9523","0.0003","19.9434","0.0007","90","","112.017","0.002","90","","2890.56","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N4 O4 Si -","- C31 H32 N4 O4 Si -","- C124 H128 N16 O16 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0399","0.0371","","","0.0935","0.0958","","","","","","1.03","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027640","8.8316","0.0003","10.0485","0.0003","36.6755","0.001","90","","90","","90","","3254.74","0.17","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O7 Si -","- C34 H37 N O7 Si -","- C136 H148 N4 O28 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0307","","","0.0837","0.0846","","","","","","1.052","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027641","7.0802","0.0001","34.2482","0.0004","7.5495","0.0001","90","","92.706","0.001","90","","1828.59","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N4 O6 -","- C17 H22 N4 O6 -","- C68 H88 N16 O24 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0374","0.0364","","","0.096","0.097","","","","","","1.033","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027642","17.8975","0.0007","7.3027","0.0003","28.5293","0.0011","90","","103.955","0.002","90","","3618.7","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C33 H38 N4 O5 Si -","- C33 H38 N4 O5 Si -","- C132 H152 N16 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0643","0.0612","","","0.1641","0.1676","","","","","","1.048","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027643","18.9799","0.0018","28.093","0.003","6.3717","0.0006","90","","90","","90","","3397.4","0.6","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 2","P 2 2ab","18","","","","- C32 H32 Br N5 O7 -","- C32 H32 Br N5 O7 -","- C128 H128 Br4 N20 O28 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0689","0.0494","","","0.1128","0.1211","","","","","","0.876","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027644","15.119","0.0019","8.9169","0.0011","40.931","0.004","90","","90.158","0.005","90","","5518.1","1.1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C43 H49 N5 O7 Si -","- C43 H49 N5 O7 Si -","- C172 H196 N20 O28 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1431","0.0847","","","0.2097","0.225","","","","","","0.876","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027645","11.312","0.0002","18.9201","0.0003","22.2551","0.0004","90","","90","","90","","4763.13","0.14","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H62 N6 O5 Si -","- C51 H62 N6 O5 Si -","- C204 H248 N24 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0362","0.0343","","","0.0911","0.0924","","","","","","1.024","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027646","6.2487","0.0002","12.2923","0.0004","13.6193","0.0005","113.238","0.002","90.23","0.002","101.336","0.002","938.62","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","1","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0408","0.0397","","","0.1086","0.1097","","","","","","1.037","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027647","5.6718","0.0002","7.7144","0.0004","8.1495","0.0003","68.847","0.003","80.1","0.003","71.118","0.003","314.04","0.02","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C12 H14 N6 O2 -","2","1","","Borys Ośmiałowski; Erkki Kolehmainen; Satu Ikonen; Arto Valkonen; Adam Kwiatkowski; Izabela Grela; Esa Haapaniemi","2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies","Journal of Organic Chemistry","2012","77","","9609","9619","10.1021/jo301643z","","","0.71073","MoKα","","0.0535","0.0508","","","0.1374","0.1413","","","","","","1.062","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027648","15.5349","0.0005","8.4134","0.0003","10.0678","0.0003","90","","94.753","0.002","90","","1311.35","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C60 H76 N12 O4 -","4","1","","Borys Ośmiałowski; Erkki Kolehmainen; Satu Ikonen; Arto Valkonen; Adam Kwiatkowski; Izabela Grela; Esa Haapaniemi","2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies","Journal of Organic Chemistry","2012","77","","9609","9619","10.1021/jo301643z","","","0.71073","MoKα","","0.0559","0.0421","","","0.1007","0.1093","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027649","10.213","0.002","5.204","0.001","15.962","0.003","90","","100.28","0.03","90","","834.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phaeosphaeride A - RRR Enantiomer","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C30 H46 N2 O10 -","2","1","","Anthoula Chatzimpaloglou; Maria P. Yavropoulou; Karien E. Rooij; Ralf Biedermann; Uwe Mueller; Stefan Kaskel; Vasiliki Sarli","Total Synthesis and Biological Activity of the Proposed Structure of Phaeosphaeride A","Journal of Organic Chemistry","2012","77","","9659","9667","10.1021/jo301662e","","","0.88561","synchrotron","","0.1225","0.0778","","","0.1906","0.2191","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027650","13.6137","0.0003","13.6137","0.0003","30.6199","0.0007","90","","90","","120","","4914.58","0.19","228","2","228","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C29 H44 N6 O7.5 -","- C29 H44 N6 O7.5 -","- C174 H264 N36 O45 -","6","1","","Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle","Total Synthesis and Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2012","77","","9859","9864","10.1021/jo301723y","","","1.54178","CuKα","","0.0488","0.0436","","","0.1126","0.1166","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027651","16.16","0.003","22.878","0.005","24.983","0.005","68.42","0.03","79.56","0.02","89.95","0.03","8425","4","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H246 N2 O14 -","- C166 H246 N2 O14 -","- C332 H492 N4 O28 -","2","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.77491","","","0.1658","0.1603","","","0.3719","0.3766","","","","","","1.204","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027652","12.3541","0.0002","28.8342","0.0006","24.1281","0.0007","90","","96.993","0.002","90","","8531","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H117 Cl3 N1.25 O15 -","- C84.6 H116.9 Cl3 N1.3 O15 -","- C338.4 H467.6 Cl12 N5.2 O60 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.85","","","0.0841","0.0822","","","0.2254","0.2273","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027653","21.68","0.01","19.1","0.02","24.02","0.01","90","","107.42","0.02","90","","9490","12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 H143 F12 N O11 -","- C93 H139.7 F12 N O11 -","- C372 H558.8 F48 N4 O44 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.8","","","0.0894","0.0833","","","0.2342","0.2406","","","","","","1.04","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027654","23.01","","18.23","","22","","90","","90","","90","","9228.39","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C89.5 H126.5 F6.5 N O17.25 -","- C89.4 H120.6 F6.6 N O17.2 -","- C357.6 H482.4 F26.4 N4 O68.8 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.88561","","","0.0957","0.0837","","","0.2139","0.2271","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027655","9.1808","0.0018","9.5375","0.0019","9.6144","0.0019","92.649","0.003","99.211","0.003","105.921","0.003","795.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Qinghe Gao; Yanping Zhu; Mi Lian; Meicai Liu; Jingjing Yuan; Guodong Yin; Anxin Wu","Unexpected C-C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones","Journal of Organic Chemistry","2012","77","","9865","9870","10.1021/jo301751e","","","0.71073","MoKα","","0.0653","0.0562","","","0.1774","0.1924","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027656","27.691","0.009","5.7527","0.0018","7.609","0.003","90","","103.635","0.005","90","","1177.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","","Qinghe Gao; Yanping Zhu; Mi Lian; Meicai Liu; Jingjing Yuan; Guodong Yin; Anxin Wu","Unexpected C-C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones","Journal of Organic Chemistry","2012","77","","9865","9870","10.1021/jo301751e","","","0.71073","MoKα","","0.058","0.0459","","","0.1065","0.1123","","","","","","1.043","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027657","14.132","0.004","14.31","0.004","15.368","0.004","64.256","0.006","84.342","0.007","64.504","0.006","2511.8","1.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","hexamidemacrocycle dichloroethane solvate","","","- C82 H74 Cl16 N6 O18 S6 -","- C74 H94 Cl7.876 N6 O18 S6 -","- C74 H94 Cl7.876 N6 O18 S6 -","1","0.5","","Thien H. Ngo; Hülya Berndt; Dieter Lentz; Hans-Ulrich Reissig","Linear and Cyclic Amides with a Thiophene Backbone: Ultrasound-Promoted Synthesis and Crystal Structures","Journal of Organic Chemistry","2012","77","","9676","9683","10.1021/jo3017605","","","0.71073","MoKα","","0.0794","0.0577","","","0.1577","0.169","","","","","","1.096","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027658","14.191","0.004","14.2","0.004","15.362","0.004","62.692","0.007","70.565","0.007","61.665","0.006","2394.8","1.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H62 Cl20 N6 O18 S6 -","- C68 H82 Cl4 N6 O18 S6 -","- C68 H82 Cl4 N6 O18 S6 -","1","0.5","","Thien H. Ngo; Hülya Berndt; Dieter Lentz; Hans-Ulrich Reissig","Linear and Cyclic Amides with a Thiophene Backbone: Ultrasound-Promoted Synthesis and Crystal Structures","Journal of Organic Chemistry","2012","77","","9676","9683","10.1021/jo3017605","","","0.71073","MoKα","","0.1308","0.0814","","","0.2118","0.2335","","","","","","1.057","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027659","10.0468","0.0005","23.7447","0.0011","10.5822","0.0005","90","","92.383","0.003","90","","2522.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl3 N O2 S -","- C25 H28 Cl3 N O2 S -","- C100 H112 Cl12 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0682","0.0599","","","0.1422","0.1473","","","","","","1.051","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027660","23.5879","0.001","10.0828","0.0005","20.9187","0.001","90","","102.153","0.003","90","","4863.6","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cl N O2 S -","- C26 H30 Cl N O2 S -","- C208 H240 Cl8 N8 O16 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0835","0.0592","","","0.1469","0.1615","","","","","","1.047","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027661","10.139","0.0014","10.6335","0.0016","12.1689","0.0018","85.808","0.003","71.051","0.002","86.101","0.003","1236.2","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl N O2 S -","- C27 H32 Cl N O2 S -","- C54 H64 Cl2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0561","0.0469","","","0.1339","0.1476","","","","","","1.061","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027662","6.4264","0.0002","9.032","0.0003","39.7647","0.0015","90","","92.139","0.001","90","","2306.46","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Br Cl N O2 S -","- C24 H25 Br Cl N O2 S -","- C96 H100 Br4 Cl4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1942","0.1333","","","0.3366","0.3696","","","","","","1.079","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027663","8.348","0.0002","17.558","0.0004","9.6511","0.0003","90","","115.451","0.001","90","","1277.32","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0757","0.0589","","","0.1541","0.1666","","","","","","1.102","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027664","13.7061","0.0005","8.9543","0.0004","18.3545","0.0007","90","","96.517","0.002","90","","2238.06","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br N O2 S -","- C24 H26 Br N O2 S -","- C96 H104 Br4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0538","0.0387","","","0.1004","0.1149","","","","","","1.099","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027665","11.0271","0.0013","18.617","0.002","12.3609","0.0016","90","","113.634","0.002","90","","2324.7","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O4 S -","- C24 H25 Cl N2 O4 S -","- C96 H100 Cl4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0694","0.0524","","","0.1329","0.1454","","","","","","1.027","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027666","12.578","0.005","6.194","0.002","14.866","0.006","90","","108.503","0.01","90","","1098.3","0.7","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl N O3 S -","- C25 H28 Cl N O3 S -","- C50 H56 Cl2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1117","0.0555","","","0.0923","0.1233","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027667","8.6695","0.0002","12.6691","0.0004","14.089","0.0004","97.409","0.001","97.279","0.001","91.611","0.001","1520.62","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 Cl O -","- C18 H21 Cl O -","- C72 H84 Cl4 O4 -","4","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0535","0.0468","","","0.1383","0.1474","","","","","","1.013","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027668","12.1863","0.0005","10.7876","0.0005","16.784","0.0006","90","","131.872","0.002","90","","1643","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl O2 -","- C19 H23 Cl O2 -","- C76 H92 Cl4 O8 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1026","0.0672","","","0.19","0.2311","","","","","","1.11","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027669","30.0806","0.0006","6.4962","0.0002","27.0302","0.0008","90","","122.762","0.001","90","","4441.7","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 I N O2 S -","- C24 H26 I N O2 S -","- C192 H208 I8 N8 O16 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1032","0.0565","","","0.1085","0.1266","","","","","","1.047","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027670","12.813","0.004","6.246","0.002","15.497","0.005","90","","110.299","0.004","90","","1163.2","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 I N O3 S -","- C25 H28 I N O3 S -","- C50 H56 I2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0594","0.0472","","","0.1122","0.1209","","","","","","1.024","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027671","5.6171","0.0004","8.6157","0.0008","26.29","0.003","90","","90","","90","","1272.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0401","0.0359","","","0.0852","0.0891","","","","","","1.085","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027672","7.4864","0.0005","9.6715","0.0005","10.1691","0.0004","90","","90.966","0.004","90","","736.19","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0485","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027673","16.439","0.002","8.9834","0.0007","18.551","0.002","90","","90","","90","","2739.6","0.5","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Takahiro Soeta; Shuhei Fujinami; Yutaka Ukaji","Chlorosilane-Promoted Addition Reaction of Isocyanides to 3,4-Dihydroisoquinoline N-Oxides","Journal of Organic Chemistry","2012","77","","9878","9883","10.1021/jo301791m","","","0.7107","MoKα","","","0.0403","","","","0.0554","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027674","22.874","0.003","14.556","0.002","12.493","0.0012","90","","94.773","0.009","90","","4145.2","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N O3 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Zenghui Lu; Weijian Cui; Siyuan Xia; Yihui Bai; Fang Luo; Gangguo Zhu","Preparation of 3,4,5-Trisubstituted Oxazolones by Pd-Catalyzed Coupling of N-Alkynyltert-Butyloxycarbamates with Aryl Halides and Related Electrophiles","Journal of Organic Chemistry","2012","77","","9871","9877","10.1021/jo301794w","","","0.71073","MoKα","","0.1317","0.0583","","","0.1641","0.2205","","","","","","0.87","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027675","6.9736","0.0002","17.1873","0.0006","15.2945","0.0005","90","","97.093","0.002","90","","1819.13","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Zenghui Lu; Weijian Cui; Siyuan Xia; Yihui Bai; Fang Luo; Gangguo Zhu","Preparation of 3,4,5-Trisubstituted Oxazolones by Pd-Catalyzed Coupling of N-Alkynyltert-Butyloxycarbamates with Aryl Halides and Related Electrophiles","Journal of Organic Chemistry","2012","77","","9871","9877","10.1021/jo301794w","","","0.71073","MoKα","","0.0639","0.0396","","","0.1005","0.1148","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027676","11.2632","0.0016","4.6207","0.0006","13.8939","0.0017","90","","110.966","0.003","90","","675.22","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","1","","Hanchao Cheng; Dingqiao Yang","Iridium-Catalyzed Asymmetric Ring-Opening of Oxabenzonorbornadienes with Phenols","Journal of Organic Chemistry","2012","77","","9756","9765","10.1021/jo3018507","","","0.71073","MoKα","","0.0395","0.0349","","","0.1006","0.1061","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027677","13.1243","0.0004","4.763","0.0001","15.8937","0.0006","90","","111.415","0.001","90","","924.94","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","arx","3,4,5,6-tetrahydro-1H-benzo[b]azocin-2-one","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.1032","0.1118","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027678","7.4984","0.0001","9.8472","0.0001","25.9083","0.0003","90","","90","","90","","1913.02","0.04","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","ar99","1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.056","0.0418","","","0.115","0.1254","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027679","12.0179","0.0004","7.871","0.0003","12.0993","0.0006","90","","115.665","0.001","90","","1031.59","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","a99me","2-methyl-1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0643","0.0445","","","0.1027","0.1162","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027680","7.0434","0.0003","15.9831","0.0007","9.6404","0.0004","90","","109.773","0.003","90","","1021.28","0.08","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 Cu F2 N4 O2 -","- C18 H22 Cl2 Cu F2 N4 O2 -","- C36 H44 Cl4 Cu2 F4 N8 O4 -","2","0.5","","Kseniya N. Sedenkova; Elena B. Averina; Yuri K. Grishin; Andrei G. Kutateladze; Victor B. Rybakov; Tamara S. Kuznetsova; Nikolay S. Zefirov","Three-Component Heterocyclization ofgem-Bromofluorocyclopropanes with NOBF4: Access to 4-Fluoropyrimidine N-Oxides","Journal of Organic Chemistry","2012","77","","9893","9899","10.1021/jo301880m","","","0.71073","MoKα","","0.1015","0.0481","","","0.0985","0.1135","","","","","","0.775","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027681","11.4647","0.0005","20.6943","0.0006","17.0214","0.0007","90","","104.283","0.003","90","","3913.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F N5 O8 -","- C15 H14 F N5 O8 -","- C120 H112 F8 N40 O64 -","8","2","","Kseniya N. Sedenkova; Elena B. Averina; Yuri K. Grishin; Andrei G. Kutateladze; Victor B. Rybakov; Tamara S. Kuznetsova; Nikolay S. Zefirov","Three-Component Heterocyclization ofgem-Bromofluorocyclopropanes with NOBF4: Access to 4-Fluoropyrimidine N-Oxides","Journal of Organic Chemistry","2012","77","","9893","9899","10.1021/jo301880m","","","0.71073","MoKα","","0.1531","0.0466","","","0.0735","0.0981","","","","","","0.71","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027682","12.261","0.003","23.082","0.007","28.567","0.008","108.262","0.004","91.474","0.003","105.118","0.005","7361","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56.5 H100.25 N4.25 O38.5 S4 -","- C56.5 H60 N4.25 O38.5 S4 -","- C226 H240 N17 O154 S16 -","4","2","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0705","0.057","","","0.1564","0.1663","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027683","14.067","0.003","31.391","0.006","14.279","0.003","90","","90","","90","","6305","2","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C60 H80 N4 O28 S4 -","- C60 H80 N4 O28 S4 -","- C240 H320 N16 O112 S16 -","4","0.5","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0441","0.0413","","","0.1031","0.1052","","","","","","1.086","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027684","15.794","0.006","17.349","0.006","17.438","0.007","110.905","0.001","113.174","0.006","97.646","0.004","3890","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 N4 O35.72 S4 -","- C65.98 H76 N4 O35.72 S4 -","- C131.96 H152 N8 O71.44 S8 -","2","1","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0942","0.0676","","","0.1691","0.1897","","","","","","1.048","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027685","23.581","0.005","15.123","0.003","10.468","0.002","90","","94.086","0.004","90","","3723.6","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 N13 O2 -","- C41 H41 N13 O2 -","- C164 H164 N52 O8 -","4","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.1441","0.0966","","","0.1448","0.1622","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027686","10.6023","0.0009","13.3109","0.0012","13.4391","0.0012","109.33","0.008","101.227","0.007","98.434","0.007","1709.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40.25 H34.5 Cl0.5 N12 -","- C40.25 H34.5 Cl0.5 N12 -","- C80.5 H69 Cl N24 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0783","0.0602","","","0.1396","0.1458","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027687","10.9901","0.0017","12.415","0.002","13.379","0.003","89.992","0.007","81.014","0.005","74.842","0.006","1738.7","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H36 N10 -","- C42 H36 N10 -","- C84 H72 N20 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0721","0.065","","","0.1479","0.1526","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027688","10.2033","0.0019","13.486","0.003","18.28","0.004","101.482","0.003","91.641","0.004","99.266","0.004","2428.1","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H53 Cl4 Co2 N13 O5 -","- C44 H53 Cl4 Co2 N13 O5 -","- C88 H106 Cl8 Co4 N26 O10 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0797","0.0692","","","0.1595","0.1675","","","","","","1.096","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027689","10.231","0.002","13.51","0.003","18.245","0.004","102.03","0.03","90.96","0.03","99.91","0.03","2426","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 Cl4 N13 Ni2 O2 -","- C41 H41 Cl4 N13 Ni2 O2 -","- C82 H82 Cl8 N26 Ni4 O4 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0686","0.0567","","","0.1368","0.1457","","","","","","1.067","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027690","12.7471","0.0005","13.9306","0.0005","15.8655","0.0006","96.018","0.003","93.271","0.003","92.071","0.003","2794.7","0.18","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46.5 Cl5 N13 Ni O11 -","- C41.5 H43.5 Cl2 N13 Ni O10.996 -","- C83 H87 Cl4 N26 Ni2 O21.992 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.093","0.0677","","","0.1525","0.1633","","","","","","0.988","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027691","12.393","0.003","16.465","0.003","17.357","0.005","72.312","0.013","82.496","0.016","68.093","0.011","3130","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H53 Cd2 Cl4 N17 O20 -","- C47 H53 Cd2 Cl4 N17 O20 -","- C94 H106 Cd4 Cl8 N34 O40 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0731","0.063","","","0.1482","0.1567","","","","","","1.071","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027692","9.7002","0.0003","13.0829","0.0003","21.7792","0.0006","90","","90","","90","","2763.93","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Fe N5 O -","- C38 H25 Fe N5 O -","- C152 H100 Fe4 N20 O4 -","4","1","","Francisco Otón; María del Carmen González; Arturo Espinosa; Carmen Ramírez de Arellano; Alberto Tárraga; Pedro Molina","Ion Pair Recognition Receptor Based on an Unsymmetrically 1,1'-Disubstituted Ferrocene-Triazole Derivative","Journal of Organic Chemistry","2012","77","","10083","10092","10.1021/jo301570u","","","0.71073","MoKα","","0.0478","0.0386","","","0.0788","0.085","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027693","8.654","0.002","9.693","0.002","12.619","0.003","78.489","0.004","87.071","0.004","82.042","0.004","1026.9","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H29 B Cl2 F4 N2 O2 -","- C16 H29 B Cl2 F4 N2 O2 -","- C32 H58 B2 Cl4 F8 N4 O4 -","2","1","","Corey H. Basch; Jameson A. Brinck; Joaquin E. Ramos; Stephen A. Habay; Glenn P.A. Yap","Synthesis of cis-Octahydroindoles via Intramolecular 1,3-Dipolar Cycloaddition of 2-Acyl-5-aminooxazolium Salts","Journal of Organic Chemistry","2012","77","","10416","10421","10.1021/jo301600p","","","0.71073","MoKα","","0.1339","0.0844","","","0.2153","0.2521","","","","","","1.036","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027694","9.9444","0.0005","13.0012","0.0007","36.1469","0.0018","90","","90","","90","","4673.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F12 O4 -","- C11 H10 F12 O4 -","- C132 H120 F144 O48 -","12","3","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1057","0.0402","","","0.0614","0.0772","","","","","","1.014","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027695","15.696","0.0005","12.2229","0.0004","17.2068","0.0005","90","","105.378","0.001","90","","3182.95","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 F24 O9 -","- C22 H22 F24 O9 -","- C88 H88 F96 O36 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0451","0.0312","","","0.0649","0.0744","","","","","","0.989","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027696","8.1163","0.0004","21.2609","0.001","12.7665","0.0003","90","","102.562","0.003","90","","2150.25","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 F20 O4.5 -","- C15 H11 F20 O4.5 -","- C60 H44 F80 O18 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.051","0.0305","","","0.0484","0.0521","","","","","","0.918","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027697","10.591","0.0007","11.4087","0.001","12.7478","0.001","107.199","0.004","110.878","0.004","95.198","0.004","1341.27","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H10 F28 O4 -","- C19 H10 F28 O4 -","- C38 H20 F56 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1055","0.0542","","","0.1222","0.1408","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027698","10.8442","0.0009","12.6035","0.0009","13.4532","0.0006","107.292","0.004","107.556","0.006","97.246","0.003","1626.1","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","1","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1084","0.0752","","","0.1939","0.2132","","","","","","1.054","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027699","13.6774","0.0008","13.8975","0.001","14.0556","0.0008","67.935","0.004","67.245","0.004","83.498","0.004","2281.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H10 F52 O4 -","- C31 H10 F52 O4 -","- C62 H20 F104 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0934","0.0517","","","0.116","0.1295","","","","","","1.004","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027700","7.5263","0.0006","11.7755","0.001","35.09","0.003","90","","90","","90","","3109.9","0.4","100","2","100","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C31 H10 F20 O4 -","- C31 H10 F20 O4 -","- C124 H40 F80 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0713","0.0365","","","0.0627","0.0699","","","","","","0.911","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027701","11.046","0.0002","19.7743","0.0003","18.3995","0.0003","90","","91.3656","0.0007","90","","4017.8","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H56 F40 N6 O8 -","- C80 H56 F40 N6 O8 -","- C160 H112 F80 N12 O16 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.052","0.0394","","","0.1038","0.1149","","","","","","1.01","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027702","10.3791","0.0004","19.808","0.0016","20.2096","0.0015","90","","90","","90","","4154.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 F20 N2 O4 -","- C41 H32 F20 N2 O4 -","- C164 H128 F80 N8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0901","0.0411","","","0.0769","0.0889","","","","","","0.932","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027703","14.2526","0.0012","8.9791","0.001","9.7106","0.0005","90","","129.481","0.004","90","","959.17","0.15","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H8 Cl2 O4 -","- C7 H8 Cl2 O4 -","- C28 H32 Cl8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0341","0.0301","","","0.0652","0.0664","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027704","8.7026","0.001","7.6311","0.0008","11.557","0.002","90","","103.131","0.004","90","","747.44","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0576","0.0349","","","0.0762","0.0826","","","","","","0.973","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027705","8.4682","0.0004","10.9244","0.0004","13.2571","0.0005","108.543","0.002","100.404","0.002","104.79","0.002","1077.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H10 F20 O4 -","- C15 H10 F20 O4 -","- C30 H20 F40 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0745","0.0477","","","0.1126","0.125","","","","","","1.026","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027706","5.4658","0.0002","17.842","0.0012","15.3081","0.0009","90","","104.041","0.003","90","","1448.26","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F10 O5 -","- C11 H10 F10 O5 -","- C44 H40 F40 O20 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0706","0.036","","","0.0538","0.0587","","","","","","1.213","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027707","9.47","0.02","6.58","0.01","10.22","0.02","90","","106.01","0.06","90","","612","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 F6 O5 -","- C9 H10 F6 O5 -","- C18 H20 F12 O10 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1179","0.0568","","","0.12","0.146","","","","","","0.971","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027708","10.208","0.0006","15.1118","0.001","32.159","0.002","90","","90","","90","","4960.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F40 N2 O8 -","- C36 H32 F40 N2 O8 -","- C144 H128 F160 N8 O32 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1029","0.0611","","","0.1612","0.1804","","","","","","0.99","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027709","15.407","0.003","13.388","0.003","11.634","0.003","90","","96.988","0.004","90","","2381.9","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C104 H112 O40 -","8","1","","Raju Karmakar; Dipakranjan Mal","Total Synthesis of Chlorocyclinone A, a PPAR-γ Antagonist","Journal of Organic Chemistry","2012","77","","10235","10248","10.1021/jo301712b","","","0.71073","MoKα","","0.0568","0.0493","","","0.1374","0.1507","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027710","19.5005","0.0009","21.6527","0.001","24.7377","0.0011","90","","90","","90","","10445.2","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C105 H114 I2 N4 O32 -","- C105 H114 I2 N4 O32 -","- C420 H456 I8 N16 O128 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.1005","0.0488","","","0.085","0.0974","","","","","","0.861","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027711","19.8819","0.0013","4.0441","0.0002","20.1653","0.0013","90","","91.89","0.005","90","","1620.5","0.17","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C84 H56 I4 N4 O4 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0681","0.0364","","","0.0753","0.085","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027712","6.9741","0.0003","19.3326","0.0011","20.4313","0.001","90","","90","","90","","2754.7","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C128 H96 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0957","0.0484","","","0.1224","0.1533","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027713","7.3227","0.0008","18.977","0.002","15.1979","0.0017","90","","113.484","0.002","90","","1937","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 I4 N O -","- C16 H13 I4 N O -","- C64 H52 I16 N4 O4 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0592","0.0322","","","0.0602","0.069","","","","","","1.004","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027714","17.3734","0.0007","8.1254","0.0004","23.7944","0.0016","90","","90","","90","","3359","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C168 H112 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0542","0.0333","","","0.0773","0.0838","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027715","17.469","0.004","5.6816","0.0013","19.972","0.004","90","","115.9","0.02","90","","1783.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3RS,3aSR,8aRS)-1-benzyl-3-phenyloctahydrocyclohepta[b]pyrrol-4(1H)-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","0.56085","AgKα","","0.1908","0.057","","","0.1015","0.1462","","","","","","0.808","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027716","10.1684","0.0018","10.9125","0.0018","18.1708","0.0019","90","","90","","90","","2016.3","0.5","295","2","295","2","","","","","","","Synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C88 H104 Br4 N4 O4 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0305","0.0283","","","0.0724","0.0742","","","","","","0.905","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027717","9.8448","0.0011","10.711","0.0018","10.5116","0.0017","90","","115","0.01","90","","1004.6","0.3","295","2","295","2","","","","","","","Synthesis as described","5","P 1 21 1","P 2yb","4","","(1S,2R)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C44 H52 Br2 N2 O2 -","2","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0395","0.0348","","","0.0834","0.0863","","","","","","1.075","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027718","10.3917","0.0008","20.6521","0.0016","20.2498","0.0017","90","","90","","90","","4345.8","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,8aS)-3-phenyl-1-[(1R)-1-phenylethyl]octahydrocyclohepta [b]pyrrol-4(1H)-one","","- C48 H64 Br2 N2 O4 -","- C48 H64 Br2 N2 O4 -","- C192 H256 Br8 N8 O16 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","x-ray","0.56085","AgKα","","0.3058","0.0568","","","0.0951","0.1633","","","","","","0.635","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027719","9.667","0.003","12.211","0.003","32.485","0.007","90","","90","","90","","3834.7","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-{[(1S)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol","","- C22 H25 N O -","- C22 H25 N O -","- C176 H200 N8 O8 -","8","2","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.1008","0.0594","","","0.1459","0.1733","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027720","9.7999","0.0003","10.1149","0.0003","11.2907","0.0004","90.033","0.002","102.509","0.002","113.507","0.002","997.21","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C42 H50 N2 O10 -","2","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0699","0.0495","","","0.151","0.1786","","","","","","1.136","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027721","16.6227","0.0016","14.4517","0.0014","21.3942","0.0019","90","","106.236","0.005","90","","4934.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H63 N3 O4 -","- C61 H55 N3 O4 -","- C244 H220 N12 O16 -","4","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0904","0.0594","","","0.1501","0.1842","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027722","9.623","0.009","21.48","0.02","10.161","0.009","90","","90","","90","","2100","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0701","0.0614","","","0.1639","0.1738","","","","","","1.024","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027723","19.473","0.003","33.144","0.004","7.8337","0.001","90","","90","","90","","5056","1.2","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H31 N O4 -","- C28 H31 N O4 -","- C224 H248 N8 O32 -","8","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0524","0.043","","","0.1187","0.1307","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027724","7.5929","0.0003","9.335","0.0002","21.6474","0.0007","96.007","0.002","90.54","0.003","90.553","0.003","1525.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H10 Cl2 N2 -","- C20 H10 Cl2 N2 -","- C80 H40 Cl8 N8 -","4","2","","Deepali Waghray; Jing Zhang; Jeroen Jacobs; Wienand Nulens; Nikola Basarić; Luc Van Meervelt; Wim Dehaen","Synthesis and Structural Elucidation of Diversely Functionalized 5,10-Diaza[5]Helicenes","Journal of Organic Chemistry","2012","77","","10176","10183","10.1021/jo301814m","","","0.7107","MoKα","","0.0402","0.0341","","","0.0846","0.0878","","","","","","1.095","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027725","7.965","0.003","8.718","0.003","12.816","0.005","100.64","0.03","107.39","0.03","96.14","0.03","822.1","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Deepali Waghray; Jing Zhang; Jeroen Jacobs; Wienand Nulens; Nikola Basarić; Luc Van Meervelt; Wim Dehaen","Synthesis and Structural Elucidation of Diversely Functionalized 5,10-Diaza[5]Helicenes","Journal of Organic Chemistry","2012","77","","10176","10183","10.1021/jo301814m","","","0.7107","MoKα","","0.0492","0.0408","","","0.1098","0.1163","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027726","14.07","0.02","11.657","0.017","15.58","0.02","90","","106.582","0.015","90","","2449","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 O4 S -","- C23 H20 N4 O4 S -","- C92 H80 N16 O16 S4 -","4","1","","Luping Liu; Yuan Zhong; Panpan Zhang; Xianxing Jiang; Rui Wang","Core Scaffold-Inspired Stereoselective Synthesis of Spiropyrazolones via an Organocatalytic Michael/Cyclization Sequence","Journal of Organic Chemistry","2012","77","","10228","10234","10.1021/jo301851a","","","0.71073","MoKα","","0.1826","0.0891","","","0.1945","0.2244","","","","","","1.05","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027727","7.326","0.001","15.248","0.001","22.073","0.001","77.55","0.01","82.9","0.01","76.99","0.01","2338.6","0.4","100","2","100","2","","","","","","","methylene chloride/methanol","4","P 1","P 1","1","","","","- C36 H40 N4 O5 -","- C36 H40 N4 O5 -","- C108 H120 N12 O15 -","3","3","","Andrei Kozyrev; Manivannan Ethirajan; Ping Chen; Kei Ohkubo; Byron C. Robinson; Kathleen M. Barkigia; Shunichi Fukuzumi; Karl M. Kadish; Ravindra K. Pandey","Synthesis, Photophysical and Electrochemistry of Near-IR Absorbing Bacteriochlorins Related to Bacteriochlorophylla","Journal of Organic Chemistry","2012","77","","10260","10271","10.1021/jo301895p","","","0.9","synchrotron","","0.0802","0.0782","","0.2091","","0.2037","","","1.06","","","1.052","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027728","9.893","0.003","10.737","0.003","14.794","0.006","103.294","0.009","105.814","0.01","104.803","0.007","1383.9","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H27 N5 -","- C36 H27 N5 -","- C72 H54 N10 -","2","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.078","0.0472","","","0.1113","0.1299","","","","","","0.933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027729","6.982","0.006","13.943","0.013","17.51","0.016","67.1","0.03","86.1","0.03","76.05","0.02","1523","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H23 Cl4 N5 -","- C36 H23 Cl4 N5 -","- C72 H46 Cl8 N10 -","2","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.2294","0.1494","","","0.4038","0.4833","","","","","","1.552","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027730","13.8682","0.0018","16.152","0.002","17.175","0.004","109.139","0.005","109.139","0.005","100.443","0.004","3249","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N5 O4 -","- C40 H35 N5 O4 -","- C160 H140 N20 O16 -","4","2","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0698","0.0459","","","0.1124","0.1273","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027731","10.7635","0.0018","14.054","0.003","18.836","0.003","90","","96","0.004","90","","2833.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N4 O4 -","- C34 H30 N4 O4 -","- C136 H120 N16 O16 -","4","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0767","0.045","","","0.1168","0.1532","","","","","","0.764","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027732","12.885","0.01","12.885","0.01","7.477","0.006","90","","90","","120","","1075","1.5","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C22 H24 Cl N3 O4 -","- C22 H24 Cl N3 O4 -","- C44 H48 Cl2 N6 O8 -","2","0.333333","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.1021","0.0677","","","0.1785","0.2064","","","","","","1.022","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027733","11.9726","0.0017","7.679","0.0011","31.289","0.005","90","","94.058","0.004","90","","2869.4","0.7","120","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F3 N5 O3 S -","- C33 H24 F3 N5 O3 S -","- C132 H96 F12 N20 O12 S4 -","4","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0825","0.0436","","","0.0905","0.1076","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027734","12.1581","0.0007","22.4909","0.0012","13.1025","0.0007","90","","110.339","0.001","90","","3359.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl F3 P2 Pd -","- C38 H30 Cl F3 P2 Pd -","- C152 H120 Cl4 F12 P8 Pd4 -","4","1","","Chunfa Xu; Sheng Chen; Long Lu; Qilong Shen","Preparation of Trifluorostyrenes via Palladium-Catalyzed Coupling of Arylboronic Acids with Chloro- and Bromotrifluoroethylene","Journal of Organic Chemistry","2012","77","","10314","10320","10.1021/jo301998g","","","0.71073","MoKα","","0.0414","0.0329","","","0.0838","0.089","","","","","","1.023","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027735","13.677","0.0003","14.981","0.0002","24.659","0.0005","90","","90","","90","","5052.51","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","DR 10 IZOMER II","","","- C55 H72 Cl2 O6 -","- C55 H72 Cl2 O6 -","- C220 H288 Cl8 O24 -","4","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1015","0.0726","","","0.1909","0.2157","","","","","","1.046","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027736","15.872","0.0004","6.902","0.0001","24.425","0.0006","90","","108.057","0.001","90","","2543.94","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C55 H72 Cl2 O6 -","- C55.001 H72.002 Cl2.002 O6 -","- C110.002 H144.004 Cl4.004 O12 -","2","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1099","0.0582","","","0.1356","0.1643","","","","","","0.883","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027737","11.872","0.003","7.111","0.002","19.434","0.005","90","","99.891","0.004","90","","1616.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 Si -","- C16 H19 N O3 Si -","- C64 H76 N4 O12 Si4 -","4","1","","Giorgio Abbiati; Arjana Doda; Monica Dell'Acqua; Valentina Pirovano; Diego Facoetti; Silvia Rizzato; Elisabetta Rossi","Synthesis of Two Unnatural Oxygenated Aaptaminoids","Journal of Organic Chemistry","2012","77","","10461","10467","10.1021/jo3020598","","","0.71073","MoKα","","0.1417","0.0648","","","0.156","0.1917","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027738","8.334","0.002","16.239","0.004","8.456","0.002","90","","111.019","0.004","90","","1068.3","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Giorgio Abbiati; Arjana Doda; Monica Dell'Acqua; Valentina Pirovano; Diego Facoetti; Silvia Rizzato; Elisabetta Rossi","Synthesis of Two Unnatural Oxygenated Aaptaminoids","Journal of Organic Chemistry","2012","77","","10461","10467","10.1021/jo3020598","","","0.71073","MoKα","","0.0904","0.0444","","","0.0817","0.0977","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027739","13.207","0.003","8.4523","0.0018","18.886","0.004","90","","90","","90","","2108.2","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","1","","Yunhui Zheng; Xuming Li; Chengfeng Ren; Daisy Zhang-Negrerie; Yunfei Du; Kang Zhao","Synthesis of Oxazoles from Enamides via Phenyliodine Diacetate-Mediated Intramolecular Oxidative Cyclization","Journal of Organic Chemistry","2012","77","","10353","10361","10.1021/jo302073e","","","0.71073","MoKα","","0.0464","0.0378","","","0.0956","0.1012","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027740","11.4952","0.0012","6.768","0.0009","15.439","0.002","90","","90","","90","","1201.1","0.3","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","","Petar A. Duspara; Md. Sadequl Islam; Alan J. Lough; Robert A. Batey","Synthesis and Reactivity of N-Alkyl Carbamoylimidazoles: Development of N-Methyl Carbamoylimidazole as a Methyl Isocyanate Equivalent","Journal of Organic Chemistry","2012","77","","10362","10368","10.1021/jo302084a","","","0.71073","MoKα","","0.0644","0.0455","","","0.109","0.1182","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027741","18.6488","0.0012","8.4106","0.0006","6.8574","0.0004","90","","92.121","0.003","90","","1074.83","0.12","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B F3 K O -","- C9 H11 B F3 K O -","- C36 H44 B4 F12 K4 O4 -","4","1","","Nicolas Fleury-Brégeot; Marc Presset; Floriane Beaumard; Virginie Colombel; Daniel Oehlrich; Frederik Rombouts; Gary A. Molander","Suzuki-Miyaura Cross-Coupling of Potassium Alkoxyethyltrifluoroborates: Access to Aryl/Heteroarylethyloxy Motifs","Journal of Organic Chemistry","2012","77","","10399","10408","10.1021/jo3021665","","","0.71073","MoKα","","0.025","0.0232","","","0.0554","0.0564","","","","","","1.13","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027742","5.439","0.0001","13.884","0.0003","19.535","0.0005","90","0.001","90","0.001","90","0.001","1475.19","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C72 H64 Cl4 N4 O4 -","4","1","","Gonzalo Blay; Joan Cano; Luz Cardona; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Carlos Vila","NMR Spectroscopic Characterization and DFT Calculations of Zirconium(IV)-3,3'-Br2-BINOLate and Related Complexes Used in an Enantioselective Friedel-Crafts Alkylation of Indoles with α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","10545","10556","10.1021/jo3013594","","","0.71073","MoKα","","0.0787","0.0349","","","0.082","0.1052","","","","","","0.871","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027743","10.591","0.002","11.791","0.002","14.954","0.003","90","","103.94","0.03","90","","1812.4","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TPA2TCNQF4","TPA2TCNQF4","","- C18 H28 F2 N3 -","- C18 H28 F2 N3 -","- C72 H112 F8 N12 -","4","1","","Jinzhen Lu; Thanh Hai Le; Daouda A. K. Traore; Matthew C. J. Wilce; Alan M. Bond; Lisandra L. Martin","Synthetic Precursors for TCNQF42- Compounds: Synthesis, Characterization, and Electrochemical Studies of (Pr4N)2TCNQF4 and Li2TCNQF4","Journal of Organic Chemistry","2012","77","","10568","10574","10.1021/jo301403v","","","0.77343","MoKα","","0.0469","0.0445","","","0.1078","0.1095","","","","","","1.054","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027744","14.946","0.003","7.168","0.0014","22.136","0.004","90","","103.01","0.03","90","","2310.6","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pr4NTCNQF4","Pr4NTCNQF4","","- C24 H28 F4 N5 -","- C24 H28 F4 N5 -","- C96 H112 F16 N20 -","4","1","","Jinzhen Lu; Thanh Hai Le; Daouda A. K. Traore; Matthew C. J. Wilce; Alan M. Bond; Lisandra L. Martin","Synthetic Precursors for TCNQF42- Compounds: Synthesis, Characterization, and Electrochemical Studies of (Pr4N)2TCNQF4 and Li2TCNQF4","Journal of Organic Chemistry","2012","77","","10568","10574","10.1021/jo301403v","","","0.77343","Synchrotron","","0.0482","0.0426","","","0.1087","0.1126","","","","","","1.048","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027745","12.117","0.0007","24.7548","0.0014","17.6157","0.001","90","","105.435","0.001","90","","5093.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O6 Si4 -","- C48 H72 O6 Si4 -","- C192 H288 O24 Si16 -","4","1","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0698","0.0451","","","0.11","0.118","","","","","","0.997","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027746","10.4606","0.0013","12.1928","0.0016","16.305","0.002","90","","85.78","0.002","90","","2074","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O2 Si4 -","- C40 H48 O2 Si4 -","- C80 H96 O4 Si8 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.2397","0.1046","","","0.2479","0.3198","","","","","","1.027","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027747","8.2772","0.0002","9.244","0.0002","22.2287","0.0005","94.95","","91.91","","103.19","","1647.3","0.07","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H44 -","- C44 H44 -","- C88 H88 -","2","1","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0485","0.0408","","","0.1205","0.1268","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027748","10.832","0.0016","10.393","0.0015","17.083","0.003","90","","101.151","0.003","90","","1886.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Si4 -","- C40 H44 Si4 -","- C80 H88 Si8 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.1181","0.0518","","","0.0961","0.1082","","","","","","0.979","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027749","6.1425","0.0004","16.351","0.0009","22.2636","0.0013","90","","97.319","0.001","90","","2217.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 Br6 -","- C54 H30 Br6 -","- C108 H60 Br12 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0674","0.0335","","","0.0613","0.0662","","","","","","0.859","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027750","10.6386","0.0001","10.7847","0.0001","10.8584","0.0001","119.31","","101.93","","100.747","0.001","1000.64","0.018","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 Cl4 O4 Si4 -","- C34 H48 Cl4 O4 Si4 -","- C34 H48 Cl4 O4 Si4 -","1","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0355","0.0304","","","0.0761","0.0805","","","","","","1.04","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027751","8.752","0.002","9.601","0.003","34.398","0.009","90","","90.406","0.004","90","","2890.3","1.4","100","2","100","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","3-(4-methoxyphenylimino)cholest-4-ene-6-one","","- C34 H49 N O2 -","- C34 H49 N O2 -","- C136 H196 N4 O8 -","4","2","","Xin Geng; Joel T. Mague; Robert A. Pascal","Synthesis and Chiroptical Properties of Arylimines of Cholest-4-ene-3,6-dione","Journal of Organic Chemistry","2012","77","","10920","10924","10.1021/jo301591g","","","0.71073","MoKα","","0.0909","0.0739","","","0.1867","0.2017","","","","","","1.088","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027752","10.364","0.003","30.543","0.009","19.545","0.006","90","","101.745","0.004","90","","6057","3","296","2","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H69 Br Cl9 N9 O3 -","- C57 H45 Br Cl9 N9 O3 -","- C228 H180 Br4 Cl36 N36 O12 -","4","1","","Natsuko Uchida; Junpei Kuwabara; Ayako Taketoshi; Takaki Kanbara","Molecular Design of Organic Superbases, Azacalix[3](2,6)pyridines: Catalysts for 1,2- and 1,4-Additions","Journal of Organic Chemistry","2012","77","","10631","10637","10.1021/jo3017428","","","0.71073","MoKα","","","0.1979","","","","0.5033","","","","","","1.277","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027753","9.0429","0.0007","19.0807","0.0016","11.3218","0.0009","90","","111.15","0.001","90","","1821.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-amino-2,2-dimethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.0416","0.0355","","","0.1025","0.1096","","","","","","1.029","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027754","7.2975","0.0006","11.8237","0.0009","12.3742","0.001","74.586","0.001","82.947","0.001","83.66","0.001","1018.11","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","3-amino-2,2-diethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.054","0.0465","","","0.1205","0.127","","","","","","1.024","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027755","10.8794","0.0005","10.5049","0.0005","17.5593","0.0008","90","","99.814","0.001","90","","1977.43","0.16","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3-chloro-2-ethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C22 H18 Cl2 N2 O2 -","- C22 H18 Cl2 N2 O2 -","- C88 H72 Cl8 N8 O8 -","4","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.0406","0.0373","","","0.1026","0.1056","","","","","","1.056","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027756","9.3035","0.0002","9.3322","0.0003","19.7057","0.0006","90","","100.401","0.003","90","","1682.78","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Boshen Wu; George C. Feast; Amber L. Thompson; Jeremy Robertson","Synthesis of Stereoisomers of Artemisia and Chrysanthemum Bis(acetylenic) Enol Ether Spiroacetals","Journal of Organic Chemistry","2012","77","","10623","10630","10.1021/jo301810d","","","1.5418","CuKα","","0.0425","0.0396","","0.1178","0.1132","0.1175","","","","","","1.0112","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027757","8.8737","0.0002","9.7374","0.0002","11.242","0.0003","95.422","0.001","112.71","0.0012","99.3154","0.0013","871.01","0.04","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","","Boshen Wu; George C. Feast; Amber L. Thompson; Jeremy Robertson","Synthesis of Stereoisomers of Artemisia and Chrysanthemum Bis(acetylenic) Enol Ether Spiroacetals","Journal of Organic Chemistry","2012","77","","10623","10630","10.1021/jo301810d","","","0.71073","MoKα","","0.0476","0.0418","","0.1104","0.1035","0.1104","","","","","","0.9195","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027758","10.3054","0.0004","10.0632","0.0004","10.8269","0.0003","90","","94.886","0.001","90","","1118.73","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H40 N O5 -","- C22 H40 N O5 -","- C44 H80 N2 O10 -","2","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","x-ray","0.71073","MoKα","","0.0402","0.0385","","","0.1138","0.1153","","","","","","1.094","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027759","8.9167","0.0009","11.6882","0.0019","20.8027","0.0015","90","","90","","90","","2168.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Di-tert-butoxy-3- (pent-4-enyl)octahydrocyclopenta[c]pyrrolo[1,2-b]isoxazolidine","","- C22 H38.14 N O3 -","- C22 H38.13 N O3 -","- C88 H152.52 N4 O12 -","4","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","","0.71073","MoKα","","0.0381","0.036","","","0.1001","0.1025","","","","","","1.044","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027760","8.9677","0.0009","5.2389","0.0007","17.839","0.002","90","","94.853","0.004","90","","835.09","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","KA254, A enantiomer","[(1R,2S,5R,6S,7R)-2-(4-bromophenyl)-7-(diethylamino)-3- oxabicyclo[3.2.0]heptan-6-yl]methanol","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C34 H48 Br2 N2 O4 -","2","1","","Kerti Ausmees; Kadri Kriis; Tõnis Pehk; Franz Werner; Ivar Järving; Margus Lopp; Tõnis Kanger","Diastereoselective Multicomponent Cascade Reaction Leading to [3.2.0]-Heterobicyclic Compounds","Journal of Organic Chemistry","2012","77","","10680","10687","10.1021/jo3019413","","","0.71073","MoKα","","0.0433","0.0332","","","0.0751","0.0804","","","","","","0.902","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027761","14.655","0.009","18.309","0.011","7.846","0.005","90","","95.567","0.01","90","","2095","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl3 I N O3 -","- C19 H17 Cl3 I N O3 -","- C76 H68 Cl12 I4 N4 O12 -","4","1","","Saurabh Mehta; Tuanli Yao; Richard C. Larock","Regio- and Stereoselective Synthesis of Cyclic Imidates via Electrophilic Cyclization of 2-(1-Alkynyl)benzamides. A Correction","Journal of Organic Chemistry","2012","77","","10938","10944","10.1021/jo301958q","","","0.71073","MoKα","","0.0911","0.0655","","","0.1678","0.1859","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027762","6.793","0.003","18.773","0.008","28.433","0.012","90","","93.443","0.007","90","","3619","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I N O Si -","- C18 H18 I N O Si -","- C144 H144 I8 N8 O8 Si8 -","8","2","","Saurabh Mehta; Tuanli Yao; Richard C. Larock","Regio- and Stereoselective Synthesis of Cyclic Imidates via Electrophilic Cyclization of 2-(1-Alkynyl)benzamides. A Correction","Journal of Organic Chemistry","2012","77","","10938","10944","10.1021/jo301958q","","","0.71073","MoKα","","0.1387","0.1221","","","0.334","0.3488","","","","","","1.247","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027763","33.413","0.003","9.4529","0.0008","15.755","0.0013","90","","104.835","0.002","90","","4810.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H24 Cl4 N8 S4 -","- C50 H24 Cl4 N8 S4 -","- C200 H96 Cl16 N32 S16 -","4","0.5","","Raúl García; M Ángeles Herranz; M Rosario Torres; Pierre-Antoine Bouit; Juan Luis Delgado; Joaquín Calbo; Pedro M. Viruela; Enrique Ortí; Nazario Martín","Tuning the Electronic Properties of Nonplanar exTTF-Based Push-Pull Chromophores by Aryl Substitution","Journal of Organic Chemistry","2012","77","","10707","10717","10.1021/jo302047m","","","0.71073","MoKα","","0.1995","0.0844","","","0.2614","0.3264","","","","","","0.993","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027764","15.4616","0.001","8.4839","0.0006","14.5911","0.001","90","","100.587","0.006","90","","1881.4","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 N12 O6 -","- C15 H24 N12 O6 -","- C60 H96 N48 O24 -","4","0.5","","Marek Stancl; Zuzana Gargulakova; Vladimir Sindelar","Glycoluril Dimer Isomerization under Aqueous Acidic Conditions Related to Cucurbituril Formation","Journal of Organic Chemistry","2012","77","","10945","10948","10.1021/jo302063j","","","0.71073","MoKα","","0.0526","0.0388","","","0.1082","0.1123","","","","","","1.055","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027765","14.847","0.001","10.857","0.001","14.834","0.001","90","","119.32","0.01","90","","2084.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I O2 -","- C11 H9 I O2 -","- C88 H72 I8 O16 -","8","2","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.0702","0.04","","","0.0838","0.0952","","","","","","1.007","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027766","17.183","0.002","10.897","0.001","18.656","0.003","90","","115.34","0.01","90","","3157.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","2","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.174","0.0727","","","0.1495","0.1961","","","","","","0.996","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027767","14.935","0.003","9.95","0.002","10.439","0.002","90","","97.52","0.01","90","","1537.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.068","0.0484","","","0.1178","0.1322","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027768","22.122","0.004","5.367","0.001","16.713","0.003","90","","112.172","0.004","90","","1837.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C64 H88 N24 O16 -","8","2","","Debanjan Biswas; Ryan J. Holland; Jeffrey R. Deschamps; Zhao Cao; Larry K. Keefer; Joseph E. Saavedra","O2-Functionalized Methylamine Diazeniumdiolates: Evidence for E-Z Equilibration in an Acyclic System","Journal of Organic Chemistry","2012","77","","10804","10810","10.1021/jo3020837","","","0.71073","MoKα","","0.0527","0.0451","","","0.1089","0.1105","","","","","","1.083","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027769","10.845","0.005","9.451","0.005","12.818","0.006","90","","113.506","0.005","90","","1204.8","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H27 N -","- C33 H27 N -","- C66 H54 N2 -","2","1","","Mei-Jin Zhong; Xiang-Chuan Wang; Hai-Tao Zhu; Jie Hu; Lei Liu; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Tetrasubstituted Cyclopentadienes via Palladium-Catalyzed Reaction of (Z)-2-En-4-yn Acetates and N-Methyl Indoles","Journal of Organic Chemistry","2012","77","","10955","10961","10.1021/jo3021055","","","0.71073","MoKα","","0.1309","0.0577","","","0.0741","0.0928","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027770","10.1773","0.0005","10.6007","0.0006","11.9185","0.0006","69.317","0.005","81.261","0.004","88.31","0.004","1188.6","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C33 H26 N -","- C33 H26 N -","- C66 H52 N2 -","2","1","","Mei-Jin Zhong; Xiang-Chuan Wang; Hai-Tao Zhu; Jie Hu; Lei Liu; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Tetrasubstituted Cyclopentadienes via Palladium-Catalyzed Reaction of (Z)-2-En-4-yn Acetates and N-Methyl Indoles","Journal of Organic Chemistry","2012","77","","10955","10961","10.1021/jo3021055","","","1.5418","CuKα","","0.0545","0.0487","","","0.1317","0.1386","","","","","","1.057","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027771","14.4152","0.0001","15.5893","0.0002","18.6579","0.0002","90","","93.605","0.001","90","","4184.56","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C208 H184 N24 O16 -","8","1","","Hongpeng Sun; Huayong Zhou; Oleg Khorev; Ruwei Jiang; Ting Yu; Xin Wang; Yongli Du; Yi Ma; Tao Meng; Jingkang Shen","Three-Component, One-Pot Sequential Synthesis of Functionalized Cyclazines: 3H-1,2a1,3-Triazaacenaphthylenes","Journal of Organic Chemistry","2012","77","","10745","10751","10.1021/jo3021105","","","0.71073","MoKα","","0.0395","0.0351","","","0.089","0.0923","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027772","40.6397","0.0006","7.7179","0.0001","17.0144","0.0002","90","","97.5888","0.0008","90","","5289.88","0.12","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C240 H192 N32 O48 -","16","2","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","A Raney-Cobalt-Mediated Tandem Reductive Cyclization Route to the 1,5-Methanoazocino[4,3-b]indole Framework of the Uleine and Strychnos Alkaloids","Journal of Organic Chemistry","2012","77","","10773","10781","10.1021/jo302132d","","","0.71073","MoKα","","0.0648","0.0445","","0.1107","0.1016","0.1107","","","","","","0.9898","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027773","8.973","0.004","12.797","0.005","15.681","0.007","90","","90","","90","","1800.6","1.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N2 O6 P S -","- C14 H23 N2 O6 P S -","- C56 H92 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.1129","0.065","","","0.1125","0.1249","","","","","","0.997","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027774","9.901","0.003","13.938","0.005","21.18","0.007","90","","90","","90","","2922.8","1.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Br N2 O6 P S -","- C18 H30 Br N2 O6 P S -","- C72 H120 Br4 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.0999","0.0584","","","0.1315","0.1459","","","","","","0.925","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027775","19.234","0.004","12.276","0.003","10.907","0.002","90","","114.84","0.03","90","","2337.1","1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H25 N2 O7 P S -","- C15 H25 N2 O7 P S -","- C60 H100 N8 O28 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","1.54178","CuKα","","0.076","0.0726","","","0.1906","0.1983","","","","","","1.122","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027776","7.2395","0.0006","11.7179","0.001","10.5844","0.0009","90","","105.319","0.002","90","","865.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C38 H32 I2 N2 O6 -","2","1","","Min-Qiang Jia; Chuan Liu; Shu-Li You","Diastereoselective and Enantioselective Desymmetrization of α-Substituted Cyclohexadienones via Intramolecular Stetter Reaction","Journal of Organic Chemistry","2012","77","","10996","11001","10.1021/jo3022555","","","0.71073","MoKα","","0.0261","0.0255","","","0.0573","0.0577","","","","","","1.07","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027777","12.6","0.03","9.57","0.03","17.72","0.05","90","","105.88","0.02","90","","2055","10","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O6 -","- C20 H17 Br N2 O6 -","- C80 H68 Br4 N8 O24 -","4","2","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.1502","0.0513","","","0.1102","0.1558","","","","","","0.872","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027778","8.302","0.01","9.769","0.012","13.135","0.016","90","","99.38","0.011","90","","1051","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N2 O4 -","- C22 H21 Br N2 O4 -","- C44 H42 Br2 N4 O8 -","2","1","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.0842","0.0505","","","0.1196","0.1362","","","","","","1.029","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027779","8.6875","0.0013","14.688","0.002","16.685","0.002","90","","90","","90","","2129","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O3 Si -","- C22 H31 N O3 Si -","- C88 H124 N4 O12 Si4 -","4","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0714","0.0543","","","0.1061","0.1157","","","","","","1.074","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027780","8.7058","0.001","13.9305","0.0016","9.1612","0.001","90","","94.954","0.003","90","","1106.9","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C46 H54 N2 O12 S2 -","2","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0495","0.0442","","","0.1074","0.113","","","","","","1.05","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027781","8.601","0.0003","8.487","0.0002","13.3739","0.0004","90","","105.396","0.004","90","","941.22","0.05","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O2 -","- C23 H18 Cl N O2 -","- C46 H36 Cl2 N2 O4 -","2","1","","Jian Zuo; Yu-Hua Liao; Xiao-Mei Zhang; Wei-Cheng Yuan","Organocatalyzed Enantioselective Decarboxylative Stereoablation Reaction for the Construction of 3,3'-Disubstituted Oxindoles Using β-Ketoacids and 3-Halooxindoles","Journal of Organic Chemistry","2012","77","","11325","11332","10.1021/jo302048v","","","0.71073","MoKα","","0.0606","0.0494","","","0.1267","0.1362","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027782","15.906","0.004","14.318","0.003","18.234","0.004","90","","97.792","0.004","90","","4114.3","1.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O2 S -","- C24 H21 F N2 O2 S -","- C192 H168 F8 N16 O16 S8 -","8","2","","B. V. Subba Reddy; Manisha Swain; S.Madhusudana Reddy; J. S. Yadav; B. Sridhar","Gold-Catalyzed Domino Cycloisomerization/Pictet-Spengler Reaction of 2-(4-Aminobut-1-yn-1-yl)anilines with Aldehydes: Synthesis of Tetrahydropyrido[4,3-b]indole Scaffolds","Journal of Organic Chemistry","2012","77","","11355","11361","10.1021/jo302068e","","","0.71073","MoKα","","0.0574","0.0395","","","0.1003","0.1193","","","","","","1.063","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027783","42.1835","0.0012","8.6921","0.0002","31.6239","0.0008","90","","99","0.002","90","","11452.6","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C69 H77 O9 -","- C69 H77 O9 -","- C552 H616 O72 -","8","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","1.54178","CuKα","","0.1293","0.1139","","","0.3468","0.3612","","","","","","1.684","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027784","12.2923","0.0015","13.5731","0.0018","17.213","0.002","108.91","0.006","92.79","0.006","95.513","0.006","2694.6","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H72 O6 -","- C66 H72 O6 -","- C132 H144 O12 -","2","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","1.54178","CuKα","","0.2365","0.1981","","","0.5105","0.5513","","","","","","2.516","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027785","19.257","0.005","34.153","0.009","18.252","0.005","90","","101.264","0.004","90","","11773","5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H72 O6 -","- C66 H72 O6 -","- C528 H576 O48 -","8","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","0.71073","MoKα","","0.1698","0.1341","","","0.3717","0.4108","","","","","","1.721","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027786","23.0609","0.0009","23.0609","0.0009","27.0102","0.0009","90","","90","","90","","14364.2","0.9","120","","120","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H29.5 N O4 -","- C33 H29.5 N O4 -","- C528 H472 N16 O64 -","16","1","","Mikhail A. Filatov; Stanislav Baluschev; Iliyana Z. Ilieva; Volker Enkelmann; Tzenka Miteva; Katharina Landfester; Sergey E. Aleshchenkov; Andrei V. Cheprakov","Tetraaryltetraanthra[2,3]porphyrins: Synthesis, Structure, and Optical Properties","Journal of Organic Chemistry","2012","77","","11119","11131","10.1021/jo302135q","","","0.71073","MoKα","","0.0941","0.0407","","0.1145","0.0584","0.0584","","","","","","0.9801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027787","10.7606","0.0014","21.095","0.003","9.8744","0.0013","90","","92.642","0.003","90","","2239.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C108 H112 N8 O16 -","4","1","","Prakash R. Sultane; Ramakrishna G. Bhat","Stereoselective Approach to cis-2,3-Disubstituted Piperidines via Reduction of N-Acyliminium Ion Intermediate: Enantioselective Synthesis of (+)-(2S,3S)-CP-99,994","Journal of Organic Chemistry","2012","77","","11349","11354","10.1021/jo302181k","","","0.71073","MoKα","","0.1542","0.0619","","","0.1354","0.182","","","","","","0.867","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027788","11.8172","0.0015","14.954","0.002","20.549","0.003","70.961","0.005","84.168","0.005","88.955","0.005","3414.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H25 Cl3 F3 N3 -","- C42 H25 Cl3 F3 N3 -","- C168 H100 Cl12 F12 N12 -","4","2","","Yi-Lin Wu; Mihaiela C. Stuparu; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Kim K. Baldridge; Jay S. Siegel; François Diederich","Structural, Optical, and Electrochemical Properties of Three-Dimensional Push-Pull Corannulenes","Journal of Organic Chemistry","2012","77","","11014","11026","10.1021/jo302217n","","","0.71073","MoKα","","0.1606","0.0689","","","0.1372","0.1683","","","","","","1.107","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027789","10.1646","0.0006","8.383","0.0007","11.7462","0.0007","90","","99.691","0.006","90","","986.61","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 I O2 -","- C22 H21 I O2 -","- C44 H42 I2 O4 -","2","1","","Jisong Jin; Yan Luo; Chao Zhou; Xiaopeng Chen; Qiaodong Wen; Ping Lu; Yanguang Wang","Synthesis of Indeno[1,2-c]furans via a Pd-Catalyzed Bicyclization of 2-Alkynyliodobenzene and Propargylic Alcohol","Journal of Organic Chemistry","2012","77","","11368","11371","10.1021/jo302223y","","","0.71073","MoKα","","0.0506","0.0394","","","0.0876","0.095","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027790","9.5857","0.0006","10.227","0.0006","12.6649","0.001","71.274","0.006","74.494","0.006","88.393","0.005","1130.78","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H24 O -","- C31 H24 O -","- C62 H48 O2 -","2","1","","Jisong Jin; Yan Luo; Chao Zhou; Xiaopeng Chen; Qiaodong Wen; Ping Lu; Yanguang Wang","Synthesis of Indeno[1,2-c]furans via a Pd-Catalyzed Bicyclization of 2-Alkynyliodobenzene and Propargylic Alcohol","Journal of Organic Chemistry","2012","77","","11368","11371","10.1021/jo302223y","","","0.71073","MoKα","","0.0717","0.048","","","0.118","0.137","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027791","10.461","0.005","8.172","0.004","16.1","0.007","90","","95.244","0.008","90","","1370.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C56 H76 N12 O12 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","0.71073","MoKα","","0.0597","0.0484","","","0.1205","0.1275","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027792","8.9063","0.0003","10.331","0.0003","13.8954","0.0004","90","","90","","90","","1278.53","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","1.54178","CuKα","","0.0259","0.0257","","","0.0734","0.0737","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027793","8.719","0.002","15.485","0.004","11.213","0.003","90","","97.564","0.003","90","","1500.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","0.71073","MoKα","","0.0441","0.0382","","","0.1216","0.1304","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027794","10.569","0.0005","21.4775","0.0014","11.5781","0.0007","90","","98.834","0.002","90","","2597","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N5 O5 -","- C28 H29 N5 O5 -","- C112 H116 N20 O20 -","4","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","x-ray","0.71073","MoKα","","0.0604","0.041","","","0.0993","0.1095","","","","","","1.03","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027795","14.8091","0.0004","11.8613","0.0004","14.8551","0.0004","90","","100.775","0.002","90","","2563.37","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N4 O7 -","- C26 H30 N4 O7 -","- C104 H120 N16 O28 -","4","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","","0.71073","MoKα","","0.0832","0.0566","","","0.1418","0.1555","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027796","36.2985","0.0006","34.2014","0.0008","9.2314","0.0002","90","","90","","90","","11460.4","0.4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H34 N4 O9 -","- C29 H34 N4 O9 -","- C464 H544 N64 O144 -","16","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","","0.71073","MoKα","","0.049","0.0435","","","0.1086","0.1164","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027797","10.658","0.0003","7.345","0.0003","16.586","0.0008","90","","90","","90","","1298.4","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","","Izabella Jastrzębska; Marcin Górecki; Jadwiga Frelek; Rosa Santillan; Leszek Siergiejczyk; Jacek W. Morzycki","Photoinduced Isomerization of 23-Oxosapogenins: Conformational Analysis and Spectroscopic Characterization of 22-Isosapogenins","Journal of Organic Chemistry","2012","77","","11257","11269","10.1021/jo3022549","","","0.71073","MoKα","","0.0537","0.0492","","","0.1259","0.1303","","","","","","1.049","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027798","7.8847","0.0003","8.9681","0.0003","14.7329","0.0005","90","","102.011","0.005","90","","1018.97","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O8 -","- C20 H18 Br N O8 -","- C40 H36 Br2 N2 O16 -","2","1","","Fernando Cagide-Fagín; Olaia Nieto-García; Hugo Lago-Santomé; Ricardo Alonso","Enantioselective Synthesis of Protected Nitrocyclohexitols with Five Stereocenters. Total Synthesis of (+)-Pancratistatin","Journal of Organic Chemistry","2012","77","","11377","11382","10.1021/jo3022567","","x-ray","0.7107","MoKα","","0.045","0.035","","","0.069","0.0711","","","","","","1.233","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027799","12.6347","0.0019","13.4144","0.0019","18.718","0.003","92.426","0.003","103.155","0.002","104.145","0.003","2979.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H110 N30 O28 P4 Zn4 -","- C92 H110 N30 O28 P4 Zn4 -","- C92 H110 N30 O28 P4 Zn4 -","1","0.5","","Feihu Huang; Chen Cheng; Guoqiang Feng","Introducing Ligand-Based Hydrogen Bond Donors to a Receptor: Both Selectivity and Binding Affinity for Anion Recognition in Water Can Be Improved","Journal of Organic Chemistry","2012","77","","11405","11408","10.1021/jo302271t","","","0.71073","MoKα","","0.098","0.0693","","","0.1964","0.2155","","","","","","0.997","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027800","13.658","0.002","17.73","0.002","20.921","0.002","90","","94.411","0.003","90","","5051.1","1.1","123.2","","123.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 O11 -","- C52 H60 O11 -","- C208 H240 O44 -","4","1","","Tomoki Ogoshi; Daiki Yamafuji; Daisuke Kotera; Takamichi Aoki; Shuhei Fujinami; Tada-aki Yamagishi","Clickable Di- and Tetrafunctionalized Pillar[n]arenes (n= 5, 6) by Oxidation-Reduction of Pillar[n]arene Units","Journal of Organic Chemistry","2012","77","","11146","11152","10.1021/jo302283n","","","0.7107","MoKα","","","0.0688","","","","0.1114","","","","","","1.798","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027832","8.0216","0.0009","9.3199","0.001","10.0691","0.0011","79.315","0.002","72.178","0.002","76.04","0.002","690.39","0.13","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0519","0.0369","","","0.0896","0.1","","","","","","1.022","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027833","8.3685","0.0003","10.298","0.0004","12.6902","0.0005","70.9236","0.0004","83.1057","0.0004","72.6356","0.0004","986.16","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C46 H58 N2 O10 -","2","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0384","0.0358","","","0.0955","0.0979","","","","","","1.048","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027834","8.2418","0.0007","21.0733","0.0017","14.2997","0.0012","90","","102.257","0.001","90","","2427","0.3","98","2","98","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O9 S -","- C24 H32 N2 O9 S -","- C96 H128 N8 O36 S4 -","4","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0264","0.0251","","","0.0635","0.0645","","","","","","1.019","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027835","8.9733","0.0018","19.948","0.004","34.123","0.007","90","","90","","90","","6108","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H44 O6 -","- C36 H44 O6 -","- C288 H352 O48 -","8","1","","Jihong Gao; Josephine Orso Simon; Russell Rodrigo; Abdeljalil Assoud","From Chiral ortho-Benzoquinone Monoketals to Nonracemic Indolinocodeines through Diels-Alder and Cope Reactions","Journal of Organic Chemistry","2013","78","","48","58","10.1021/jo3014098","","","0.71073","MoKα","","0.075","0.0607","","","0.1117","0.1158","","","","","","1.307","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027836","9.7491","0.0015","21.6842","0.0017","9.9916","0.0014","90","","105.495","0.011","90","","2035.5","0.5","250","","250","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 O2 -","- C21 H36 O2 -","- C84 H144 O8 -","4","1","","Aurélien Denichoux; Laurent Debien; Mathieu Cyklinsky; Malika Kaci; Fabrice Chemla; Franck Ferreira; Alejandro Pérez-Luna","Three-Carbon Homologation of Diorganozincs with Lithiated Acetylenic Epoxides","Journal of Organic Chemistry","2013","78","","134","145","10.1021/jo302128n","","","0.71073","MoKα","","0.1055","0.0511","","0.0921","0.0571","0.0571","","","","","","1.0129","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027837","8.2811","0.0008","21.745","0.002","7.6197","0.0008","90","","90.755","0.007","90","","1372","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Wolfgang Frey; Uwe Beifuss","Reaction of 1-Nitroso-2-naphthols with α-Functionalized Ketones and Related Compounds: The Unexpected Formation of Decarbonylated 2-Substituted Naphtho[1,2-d][1,3]oxazoles","Journal of Organic Chemistry","2013","78","","154","166","10.1021/jo3022956","","","0.71073","MoKα","","0.0985","0.047","","","0.0874","0.0974","","","","","","1.057","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027838","9.1901","0.0002","13.8414","0.0002","10.03","0.0002","90","","104.9","0.001","90","","1232.96","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 P2 S6 -","- C5 H10 P2 S6 -","- C20 H40 P8 S24 -","4","1","","Aviran Amir; Alon H. Sayer; Rostislav Zagalsky; Linda J. W. Shimon; Bilha Fischer","O,O'-Diester Methylenediphosphonotetrathioate: Synthesis, Characterization, and Potential Applications","Journal of Organic Chemistry","2013","78","","270","277","10.1021/jo301786m","","","0.71073","MoKα","","0.042","0.0361","","","0.0941","0.0992","","","","","","1.136","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027839","8.6963","0.0002","10.4629","0.0003","25.1241","0.0007","90","","90","","90","","2286","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O5 S2 -","- C19 H25 F3 N2 O5 S2 -","- C76 H100 F12 N8 O20 S8 -","4","1","","William J. Morris; Kiran K. Muppalla; Cameron Cowden; Richard G. Ball","Stereoselective Addition of 2-Phenyloxazol-4-yl Trifluoromethanesulfonate to N-Sulfinyl Imines: Application to the Synthesis of the HCV Protease Inhibitor Boceprevir","Journal of Organic Chemistry","2013","78","","706","710","10.1021/jo301856f","","","0.7107","MoKα","","","0.03","","","0.07","0.073","","","","","","1.043","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027840","10.515","0.002","10.515","0.002","6.565","0.003","90","","90","","120","","628.6","0.3","130","2","130","2","","","","","","","","3","P 31","P 31","144","","","","- C9 H16 O -","- C9 H16 O -","- C27 H48 O3 -","3","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0598","0.0421","","","0.0701","0.0781","","","","","","0.885","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027841","10.2043","0.0006","11.1772","0.0007","12.159","0.0008","90","","90","","90","","1386.8","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0391","0.0378","","","0.0976","0.0986","","","","","","1.025","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027842","9.7057","0.0008","11.5435","0.0009","29.504","0.002","90","","90","","90","","3305.6","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C128 H144 N16 O48 -","8","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0903","0.0438","","","0.0639","0.0731","","","","","","0.699","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027843","7.0798","0.0002","32.916","0.0006","7.4809","0.0002","90","","113.621","0.003","90","","1597.28","0.08","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0379","0.0353","","","0.0945","0.0957","","","","","","1.022","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027844","7.7048","0.0007","9.761","0.0009","9.6507","0.0009","90","","98.352","0.002","90","","718.1","0.11","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0347","0.0334","","","0.0795","0.0804","","","","","","1.043","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027845","10.6165","0.0007","10.9588","0.0011","11.8491","0.001","90","","90","","90","","1378.6","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0536","0.0373","","","0.0792","0.0832","","","","","","0.838","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027846","18.527","0.0003","7.489","0.0001","11.4673","0.0002","90","","96.453","0.002","90","","1580.99","0.04","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0364","0.0351","","","0.0974","0.0986","","","","","","1.05","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027847","7.2654","0.0006","8.3363","0.0007","12.6898","0.0011","90","","105.698","0.001","90","","739.91","0.11","130","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0304","0.0299","","","0.0764","0.0768","","","","","","1.09","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027848","10.054","0.003","12.268","0.003","14.045","0.003","90","","90","","90","","1732.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Nucleoside","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Subhendu Sekhar Bag; Sangita Talukdar; Katsuhiko Matsumoto; Rajen Kundu","Triazolyl Donor/Acceptor Chromophore Decorated Unnatural Nucleosides and Oligonucleotides with Duplex Stability Comparable to That of a Natural Adenine/Thymine Pair","Journal of Organic Chemistry","2013","78","","278","291","10.1021/jo302033f","","x-ray","0.71073","MoKα","","0.1127","0.0522","","","0.0997","0.1184","","","","","","0.961","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027849","8.375","0.004","12.038","0.006","18.163","0.009","101.924","0.01","99.082","0.009","106.005","0.009","1676.7","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N2 P2 Pd -","- C32 H56 N2 P2 Pd -","- C64 H112 N4 P4 Pd2 -","2","1","","Xiaotao Pu; Hongbo Li; Thomas J. Colacot","Heck Alkynylation (Copper-Free Sonogashira Coupling) of Aryl and Heteroaryl Chlorides, Using Pd Complexes of t-Bu2(p-NMe2C6H4)P: Understanding the Structure-Activity Relationships and Copper Effects","Journal of Organic Chemistry","2013","78","","568","581","10.1021/jo302195y","","","0.71073","MoKα","","0.1055","0.0728","","","0.1787","0.2024","","","","","","1.053","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027850","12.3722","0.0006","8.8919","0.0004","20.1596","0.001","90","","92.913","0.003","90","","2214.94","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Alkyidene Furan","(Z)-N-(2-(5,5-diphenyldihydrofuran-3(2H)-ylidene)ethyl) -4-methylbenzenesulfonamide","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Venkataraman Ganesh; Taraknath Kundu; Srinivasan Chandrasekaran","Electrophile-Induced C-C Bond Activation of Vinylcyclopropanes for the Synthesis of Z-Alkylidenetetrahydrofurans","Journal of Organic Chemistry","2013","78","","380","399","10.1021/jo302204k","","","0.71073","MoKα","","0.1425","0.0564","","","0.1335","0.1572","","","","","","0.959","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027851","15.003","0.003","5.577","0.0011","17.973","0.004","90","","102.02","0.004","90","","1470.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 S2 -","- C30 H40 N2 S2 -","- C60 H80 N4 S4 -","2","0.5","","Yu Xiong; Qinghe Wu; Jie Li; Shitao Wang; Xike Gao; Hongxiang Li","Electron-Rich Pyrroloindacenodithiophenes: Synthesis, Characterization, and Spectroscopic Studies","Journal of Organic Chemistry","2013","78","","752","756","10.1021/jo3022154","","","0.71073","MoKα","","0.0957","0.062","","","0.1571","0.1761","","","","","","1.045","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027852","35.045","0.003","5.4519","0.0005","24.299","0.002","90","","117.063","0.002","90","","4134.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N2 S2 -","- C42 H48 N2 S2 -","- C168 H192 N8 S8 -","4","0.5","","Yu Xiong; Qinghe Wu; Jie Li; Shitao Wang; Xike Gao; Hongxiang Li","Electron-Rich Pyrroloindacenodithiophenes: Synthesis, Characterization, and Spectroscopic Studies","Journal of Organic Chemistry","2013","78","","752","756","10.1021/jo3022154","","","0.71073","MoKα","","0.0781","0.0666","","","0.1593","0.1669","","","","","","1.089","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027853","9.9283","0.0006","17.019","0.002","16.7464","0.001","90","","96.924","0.005","90","","2809","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N3 O4 -","- C36 H27 N3 O4 -","- C144 H108 N12 O16 -","4","1","","Xinyao Li; Jiaxi Xu","Annuloselectivity in Cycloadditions of Ketenes with Imines: A DFT Study","Journal of Organic Chemistry","2013","78","","347","355","10.1021/jo302216d","","","0.7107","MoKα","","0.0894","0.0543","","","0.0966","0.1105","","","","","","1.057","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027854","17.3383","0.0013","10.5149","0.0008","12.2836","0.0009","90","","98.172","0.001","90","","2216.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F N O6 -","- C18 H30 F N O6 -","- C72 H120 F4 N4 O24 -","4","1","","Gaëlle Milanole; Samuel Couve-Bonnaire; Jean-François Bonfanti; Philippe Jubault; Xavier Pannecoucke","Synthesis of Fluorinated Cyclopropyl Amino Acid Analogues: Toward the Synthesis of Original Fluorinated Peptidomimetics.","Journal of Organic Chemistry","2013","78","","212","223","10.1021/jo302222n","","x-ray","0.71073","MoKα","","0.0803","0.0527","","","0.142","0.1616","","","","","","1.046","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027855","8.551","0.001","21.374","0.004","17.241","0.002","90","","104.26","0.01","90","","3054","0.8","293","2","293","2","","","","","","","prof.Paolo Quadrelli","4","P 1 21/c 1","-P 2ybc","14","","N-mesitoyl-3,3-dimethyl-5-hydroxyl-isoxazolidine","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","2","","Paolo Quadrelli; Mariella Mella; Serena Carosso; Bruna Bovio","N,O-Nucleosides from Ene Reactions of Nitrosocarbonyl Intermediates with the 3-Methyl-2-buten-1-ol","Journal of Organic Chemistry","2013","78","","516","526","10.1021/jo302346a","","","0.710738","MoKα","","","0.0482","","","","0.1121","","","","","","0.871","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027856","7.7285","0.0015","15.223","0.003","27.208","0.005","95.5","0.03","94.23","0.03","100.07","0.03","3123.8","1.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H44 O10 -","- C33 H44 O10 -","- C132 H176 O40 -","4","2","","Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood","Toward the Synthesis of Phomoidride D","Journal of Organic Chemistry","2013","78","","477","489","10.1021/jo302353g","","","0.71073","MoKα","","0.1648","0.0746","","","0.1749","0.2127","","","","","","1.063","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027857","21.99","0.004","15.567","0.003","22.168","0.004","90","","97.75","0.03","90","","7519","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 O8 S4 -","- C37 H52 O8 S4 -","- C296 H416 O64 S32 -","8","2","","Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood","Toward the Synthesis of Phomoidride D","Journal of Organic Chemistry","2013","78","","477","489","10.1021/jo302353g","","","0.71073","MoKα","","0.1542","0.0717","","","0.1646","0.2028","","","","","","1.04","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027858","5.7281","0.0009","26.834","0.004","8.6983","0.0014","90","","97.977","0.004","90","","1324.1","0.4","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O6 -","- C17 H12 O6 -","- C68 H48 O24 -","4","1","","Erin E. Podlesny; Marisa C. Kozlowski","Divergent Approach to the Bisanthraquinone Natural Products: Total Synthesis of (S)-Bisoranjidiol and Derivatives from Binaphtho-para-quinones","Journal of Organic Chemistry","2013","78","","466","476","10.1021/jo302364h","","","0.71073","MoKα","","0.0529","0.0478","","","0.131","0.1363","","","","","","1.068","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027859","9.138","0.0006","9.382","0.0006","17.5827","0.0012","90","","90","","90","","1507.41","0.17","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R)-3-acetamido-3-methyl-1-[1-(1S)-(N-methylcarbamoyl)phenylmethyl]azetidin- 2-one","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.059","0.0457","","","0.1097","0.1208","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027860","5.7004","0.0002","7.3619","0.0003","8.3143","0.0003","108.938","0.0017","90.932","0.002","104.803","0.002","317.19","0.02","160","1","160","1","","","","","","","","4","P 1","P 1","1","","(3R)-3-acetamido-3-methyl-1-[1-(N-methylcarbamoyl)isopropyl]azetidin-2-one","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","1","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0421","0.039","","","0.0987","0.102","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027861","9.5901","0.0003","10.9851","0.0003","13.8555","0.0004","90","","96.0403","0.0016","90","","1451.55","0.07","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2R)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C26 H41 N5 O7 -","- C26 H41 N5 O7 -","- C52 H82 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0703","0.0439","","","0.0976","0.1115","","","","","","1.022","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027862","10.4604","0.0002","9.9778","0.0002","14.1658","0.0003","90","","106.443","0.0011","90","","1418.04","0.05","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2S)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C25 H39 N5 O7 -","- C25 H39 N5 O7 -","- C50 H78 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0619","0.0537","","","0.1409","0.1478","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027863","7.3928","0.0006","9.1829","0.0008","14.4452","0.0013","87.961","0.007","86.302","0.007","71.408","0.008","927.42","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N3 O3 -","- C22 H14 Br N3 O3 -","- C44 H28 Br2 N6 O6 -","2","1","","Subburethinam Ramesh; Rajagopal Nagarajan","A Formal Synthesis of Lavendamycin Methyl Ester, Nitramarine, and Their Analogues: A Povarov Approach","Journal of Organic Chemistry","2013","78","","545","558","10.1021/jo302389s","","","0.71073","MoKα","","0.0476","0.0353","","","0.0779","0.0831","","","","","","1.028","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027864","7.5921","0.0005","12.0779","0.0009","18.0873","0.0014","90","","90","","90","","1658.5","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br F N2 O4 -","- C17 H12 Br F N2 O4 -","- C68 H48 Br4 F4 N8 O16 -","4","1","","Wen-Ting Meng; Yan Zheng; Jing Nie; Heng-Ying Xiong; Jun-An Ma","Organocatalytic Asymmetric One-Pot Sequential Conjugate Addition/Dearomative Fluorination: Synthesis of Chiral Fluorinated Isoxazol-5(4H)-ones","Journal of Organic Chemistry","2013","78","","559","567","10.1021/jo302419e","","","0.71073","MoKα","","0.0441","0.0374","","","0.0846","0.0888","","","","","","0.945","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027865","9.202","0.002","14.17","0.003","9.299","0.002","90","","98.369","0.006","90","","1199.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0723","0.0577","","","0.1276","0.1333","","","","","","0.928","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027866","11.325","0.002","13.892","0.002","17.405","0.003","90","","90","","90","","2738.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N O4 -","- C33 H29 N O4 -","- C132 H116 N4 O16 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0972","0.0485","","","0.1071","0.1234","","","","","","0.984","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027867","11.7329","0.0012","13.8113","0.0015","16.8109","0.0018","90","","90","","90","","2724.1","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 Cl2 N O3 -","- C31 H25 Cl2 N O3 -","- C124 H100 Cl8 N4 O12 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.062","0.0527","","","0.1425","0.1527","","","","","","1.04","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027868","11.536","0.002","16.964","0.003","13.756","0.002","90","","96.314","0.002","90","","2675.7","0.8","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 N2 O3 -","- C32 H25 N2 O3 -","- C128 H100 N8 O12 -","4","2","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0664","0.0525","","","0.1446","0.1551","","","","","","1.077","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027869","11.308","0.002","7.4047","0.0015","14.748","0.003","90","","101.928","0.012","90","","1208.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethyl-4-(3-methyl-1H-indazol-1-yl)-1H-pyrrole-2,5-dione","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Maria I. L. Soares; Cláudio M. Nunes; Clara S. B. Gomes; Teresa M. V. D. Pinho e Melo","Thiazolo[3,4-b]indazole-2,2-dioxides as Masked Extended Dipoles: Pericyclic Reactions of Benzodiazafulvenium Methides","Journal of Organic Chemistry","2013","78","","628","637","10.1021/jo302463q","","x-ray","0.71073","MoKα","","0.0504","0.0389","","","0.1082","0.1145","","","","","","1.084","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027870","8.8106","0.0011","9.7886","0.0014","16.251","0.002","73.623","0.008","87.036","0.007","63.785","0.007","1202","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C48 H80 O6 Si2 -","2","1","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","","0.71073","MoKα","","0.0766","0.0501","","","0.1248","0.1386","","","","","","1.04","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027871","11.0342","0.0008","17.6915","0.0014","18.4903","0.0015","90","","90","","90","","3609.5","0.5","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C160 H256 O16 -","8","2","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","x-ray","0.71073","MoKα","","0.1334","0.0601","","","0.1085","0.1257","","","","","","0.957","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027872","6.9388","0.0006","8.185","0.001","33.548","0.003","90","","90","","90","","1905.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","","0.71075","MoKα","","0.12","0.0743","","","","0.0957","","","","","","1.045","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027873","8.0076","0.0003","10.9331","0.0005","12.8196","0.0006","81.88","0.002","89.829","0.002","75.752","0.002","1076.31","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2R,1'S,2'S,1''R,(S)S] -2-[2'-(1''-Hydroxyisopropyl)-3'-oxocyclopentyl]- 2-[2-(p-tolylsulfinyl)phenyl]propanenitrile","","- C25 H29 N O3 S -","- C25 H29 N O3 S -","- C50 H58 N2 O6 S2 -","2","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0435","0.0342","","","0.0811","0.091","","","","","","1.06","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027874","18.156","0.004","10.473","0.002","16.106","0.004","90","","98.386","0.012","90","","3029.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1S,1'S,2'S,1''R,(S)S] - N-[1-(2'-{1''-Cyano-1''-[2-(p-tolyl sulfinyl)phenyl]ethyl}-5'-oxocyclopentyl)-1-(phenyl)methyl-p-toluenesulfonamide","","- C35 H34 N2 O4 S2 -","- C35 H34 N2 O4 S2 -","- C140 H136 N8 O16 S8 -","4","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0769","0.0446","","","0.1084","0.1321","","","","","","1.052","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027875","8.4418","0.0014","8.2966","0.0015","13.3072","0.0019","90","","107.831","0.008","90","","887.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S)-2-(3'-Oxocyclopentyl)-2-[2-(p-tolylsulfonyl)phenyl]propanenitrile","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0826","0.0539","","","0.1315","0.1498","","","","","","1.082","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027876","8.7205","0.0004","8.3352","0.0003","26.3932","0.001","90","","98.68","0.002","90","","1896.47","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S,2'R)-2-(2'-Methyl-3'-oxocyclopentyl)-2-[2-(p-tolylsulfonyl)- phenyl]propanenitrile","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","2","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","1.54178","CuKα","","0.0522","0.0501","","","0.127","0.1286","","","","","","1.105","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027877","9.634","0.0009","20.589","0.001","9.671","0.001","90","","102.47","0.01","90","","1873","0.3","293","2","293","2","","","","","","","Prof. Paolo Quadrelli","4","P 1 21/n 1","-P 2yn","14","","N-Anthryl-3,3-dimethyl-5-hydroxyl-isoxazolidin acetate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Paolo Quadrelli; Mariella Mella; Serena Carosso; Bruna Bovio","N,O-Nucleosides from Ene Reactions of Nitrosocarbonyl Intermediates with the 3-Methyl-2-buten-1-ol","Journal of Organic Chemistry","2013","78","","516","526","10.1021/jo302346a","","","0.710738","MoKα","","0.098","0.0414","","","","0.133","","","","","","0.989","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027878","12.737","0.003","6.8278","0.0014","13.272","0.003","90","","107.93","0.03","90","","1098.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N O4 -","- C22 H37 N O4 -","- C44 H74 N2 O8 -","2","1","","Houhua Li; Xiaoming Wang; Benke Hong; Xiaoguang Lei","Collective Synthesis of Lycopodium Alkaloids and Tautomer Locking Strategy for the Total Synthesis of (-)-Lycojapodine A","Journal of Organic Chemistry","2013","78","","800","821","10.1021/jo3017555","","","0.71073","MoKα","","0.0748","0.0675","","","0.1934","0.2093","","","","","","1.328","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027879","9.475","0.005","11.821","0.005","13.921","0.005","90","0.005","101.921","0.005","90","0.005","1525.6","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H48 N O S -","- C34 H47 N O S -","- C68 H94 N2 O2 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1464","0.0939","","","0.2198","0.2762","","","","","","1.056","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027880","6.9982","0.0012","13.753","0.004","24.403","0.007","90","","90","","90","","2348.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C92 H92 N12 O24 S4 -","4","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1397","0.0664","","","0.0778","0.098","","","","","","1.013","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027881","6.604","0.005","15.955","0.005","22.405","0.005","90","0.005","90","0.005","90","0.005","2361","2","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C92 H92 N12 O24 S4 -","4","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1595","0.0767","","","0.1703","0.2182","","","","","","1.152","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027882","9.975","0.005","6.85","0.005","15.836","0.005","90","0.005","104.034","0.005","90","0.005","1049.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N3 O6 S -","- C19 H23 N3 O6 S -","- C38 H46 N6 O12 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.0952","0.0518","","","0.1082","0.1365","","","","","","0.946","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4027883","5.9102","0.0011","19.665","0.003","16.793","0.003","90","","91.701","0.017","90","","1950.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N O6 S -","- C19 H23 N O6 S -","- C76 H92 N4 O24 S4 -","4","2","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1855","0.0957","","","0.1918","0.2398","","","","","","0.993","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027884","6.4421","0.0001","13.8099","0.0003","25.0821","0.0005","90","","94.746","0.001","90","","2223.77","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C21 H23 Br N2 O7 S -","- C21 H23 Br N2 O7 S -","- C84 H92 Br4 N8 O28 S4 -","4","2","","Michelle Bezanson; Joshua Pottel; Rana Bilbeisi; Sylvestre Toumieux; Mickaël Cueto; Nicolas Moitessier","Stereo- and Regioselective Synthesis of Polysubstituted Chiral 1,4-Oxazepanes","Journal of Organic Chemistry","2013","78","","872","885","10.1021/jo3021715","","","1.54178","CuKα","","0.0238","0.0235","","","0.0629","0.0632","","","","","","1.069","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027885","8.0091","0.0003","12.2395","0.0006","16.3039","0.0007","90","","90","","90","","1598.23","0.12","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C64 H72 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.0861","0.037","","","0.0688","0.1136","","","","","","1.001","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027886","7.0942","0.0005","13.792","0.0011","17.3108","0.0013","90","","90","","90","","1693.7","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.1088","0.0396","","","0.0663","0.0905","","","","","","0.947","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027887","7.057","0.0002","11.2036","0.0002","12.3063","0.0003","63.444","0.001","84.133","0.001","71.854","0.001","826.26","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 Br2 O2 -","- C19 H16 Br2 O2 -","- C38 H32 Br4 O4 -","2","1","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.0738","0.0461","","","0.1093","0.1236","","","","","","1.105","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027888","11.7848","0.0004","12.5578","0.0008","12.5773","0.0004","97.749","0.003","117.692","0.002","92.803","0.003","1619.82","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 Br2 O -","- C20 H12 Br2 O -","- C80 H48 Br8 O4 -","4","2","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.0768","0.0375","","","0.0801","0.0925","","","","","","1.013","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027889","7.9204","0.0003","8.6133","0.0003","25.5389","0.0011","90","","90","","90","","1742.28","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.037","0.028","","","0.0581","0.0603","","","","","","0.972","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027890","11.523","0.004","20.652","0.006","9.308","0.003","90","","112.905","0.005","90","","2040.4","1.1","100","2","100","2","","","","","","","Schmitt Sebastien","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N2 O3 -","- C21 H30 N2 O3 -","- C84 H120 N8 O12 -","4","1","","Sébastien Schmitt; Richard C. D. Brown; Cécile Perrio","Diastereoselective Syntheses of (3R*,4R*)- and (3R*,4S*)-4-Aryl-3-methyl-4-piperidinemethanol and Fluoro Analogues","Journal of Organic Chemistry","2013","78","","1222","1229","10.1021/jo302303h","","","0.71075","MoKα","","0.1862","0.1226","","","0.1956","0.2219","","","","","","1.171","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027891","9.3755","0.0006","10.0021","0.0006","25.2346","0.0015","90","","90","","90","","2366.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 N O3 Si -","- C22 H41 N O3 Si -","- C88 H164 N4 O12 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.031","0.0296","","","0.0814","0.0827","","","","","","0.987","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027892","24.705","0.009","6.725","0.003","11.915","0.004","90","","97.458","0.009","90","","1962.8","1.3","117","2","117","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H33 N O3.1 Si -","- C19 H33 N O3.098 Si -","- C76 H132 N4 O12.392 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.0482","0.0373","","","0.0793","0.0845","","","","","","1.024","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027893","7.8828","0.0004","10.6926","0.0005","20.2725","0.0009","105.055","0.001","92.644","0.001","94.146","0.001","1642.01","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H50 F3 N O7 S Si -","- C28 H50 F3 N O7 S Si -","- C56 H100 F6 N2 O14 S2 Si2 -","2","2","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.0557","0.0424","","","0.1076","0.1203","","","","","","1.07","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027894","12.283","0.0016","12.1019","0.0012","8.4929","0.001","90","","104.21","0.013","90","","1223.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br F N O2 -","- C13 H11 Br F N O2 -","- C52 H44 Br4 F4 N4 O8 -","4","1","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.039","0.0324","","","0.0802","0.0845","","","","","","1.059","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027895","9.3023","0.0012","9.3885","0.0009","10.9742","0.0013","100.185","0.009","102.668","0.01","111.976","0.01","830.89","0.19","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.5418","CuKα","","0.0289","0.0263","","","0.0766","0.0875","","","","","","1.26","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027896","7.86962","0.00017","12.1226","0.0003","15.534","0.0003","90","","97.5363","0.0019","90","","1469.15","0.06","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O7 -","- C14 H14 N2 O7 -","- C56 H56 N8 O28 -","4","1","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0491","0.0428","","","0.1117","0.1157","","","","","","1.061","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027897","10.908","0.0016","11.3838","0.0018","11.6457","0.0015","64.786","0.014","86.639","0.011","72.367","0.014","1242.7","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0512","0.0452","","","0.1231","0.1301","","","","","","1.035","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027898","6.9799","0.001","12.4949","0.0015","14.4554","0.0014","79.802","0.009","77.061","0.01","81.485","0.011","1201.5","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0489","0.0414","","","0.1086","0.1162","","","","","","1.044","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027899","9.7904","0.0004","11.8369","0.0004","12.317","0.0004","84.429","0.003","67.878","0.003","84.125","0.003","1312.71","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.5418","CuKα","","0.0412","0.0351","","","0.0938","0.0972","","","","","","1.067","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027900","12.148","0.007","31.58","0.019","9.542","0.006","90","","102.717","0.008","90","","3571","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F3 N2 O2 -","- C20 H17 F3 N2 O2 -","- C160 H136 F24 N16 O16 -","8","2","","Juan Yang; Xingang Xie; Zhengshen Wang; Ruoming Mei; Huaiji Zheng; Xiaolei Wang; Ling Zhang; Jing Qi; Xuegong She","Stereoselective Synthesis of Fused Spiroindolines via Tandem Mannich/Intramolecular Aminal Formation","Journal of Organic Chemistry","2013","78","","1230","1235","10.1021/jo302404v","","","0.71073","MoKα","","0.1695","0.0822","","","0.1589","0.1963","","","","","","1.026","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027901","8.3392","0.0013","10.0974","0.0016","15.684","0.003","98.756","0.002","101.508","0.002","97.415","0.002","1261.6","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H27 N3 -","- C33 H27 N3 -","- C66 H54 N6 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.1247","0.0585","","","0.1293","0.1577","","","","","","1.001","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027902","8.7255","0.0012","10.875","0.0015","15.855","0.002","98.469","0.002","101.687","0.002","110.096","0.002","1344.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H29 N3 -","- C34 H29 N3 -","- C68 H58 N6 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.0743","0.0434","","","0.0965","0.1083","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027903","9.3797","0.0006","10.4703","0.0006","15.9304","0.001","79.515","0.001","78.404","0.001","67.394","0.001","1405.3","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N O S -","- C36 H31 N O S -","- C72 H62 N2 O2 S2 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.0615","0.0439","","","0.1161","0.1257","","","","","","1.049","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027904","9.6574","0.0011","11.2128","0.0014","18.5445","0.0019","86.91","0.002","79.601","0.001","68.997","0.001","1843.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Br N4 Ni P -","- C40 H40 Br N4 Ni P -","- C80 H80 Br2 N8 Ni2 P2 -","2","1","","Wang-Jun Guo; Zhong-Xia Wang","Cross-Coupling of ArX with ArMgBr Catalyzed by N-Heterocyclic Carbene-Based Nickel Complexes","Journal of Organic Chemistry","2013","78","","1054","1061","10.1021/jo302425x","","","0.71073","MoKα","","0.0902","0.0523","","","0.142","0.1558","","","","","","1.045","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027905","9.258","0.001","16.53","0.002","19.277","0.002","87.603","0.004","78.804","0.004","85.216","0.006","2882.8","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Fraenkel 1342","","","- C22 H48 Li2 N2 O4 Si2 -","- C22 H48 Li2 N2 O4 Si2 -","- C88 H192 Li8 N8 O16 Si8 -","4","2","","Gideon Fraenkel; Xiao Chen; Albert Chow; Judith Gallucci","Internally versus Externally Solvated Derivatives of Doubly Bridged 1,4-Dilithio-2-butene: Structures and Dynamic Behavior. A ""T"" Shaped Dimeric Cluster in the Solid State","Journal of Organic Chemistry","2013","78","","1149","1156","10.1021/jo302439t","","x-ray","0.71073","MoKα","","0.0823","0.0585","","","0.1378","0.1492","","","","","","1.036","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027906","10.1487","0.0005","7.5675","0.0004","20.4078","0.0009","90","","94.563","0.002","90","","1562.36","0.13","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","","Yunkui Liu; Bo Jiang; Wei Zhang; Zhenyuan Xu","Multifold Bond Cleavage and Formation between MeOH and Quinoxalines (or Benzothiazoles): Synthesis of Carbaldehyde Dimethyl Acetals","Journal of Organic Chemistry","2013","78","","966","980","10.1021/jo302450f","","","0.71073","MoKα","","0.0997","0.0412","","","0.0896","0.1302","","","","","","1.003","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027907","13.7684","0.0002","13.785","0.0002","14.3419","0.0002","102.149","0.001","114.803","0.001","108.584","0.001","2146.61","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl2 N4 O4 Si2 -","- C44 H50 Cl2 N4 O4 Si2 -","- C88 H100 Cl4 N8 O8 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.0688","0.0454","","","0.11","0.1226","","","","","","1.018","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027908","7.8787","0.0001","12.8918","0.0001","21.5552","0.0002","93.602","0.001","94.672","0.001","95.417","0.001","2166.86","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 N4 Si2 -","- C48 H56 N4 Si2 -","- C96 H112 N8 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.107","0.0607","","","0.1424","0.1668","","","","","","1.008","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027909","7.706","0.005","23.131","0.014","45.24","0.03","90.756","0.012","90.191","0.012","94.472","0.012","8039","9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H54 N4 Si2 -","- C44 H54 N4 Si2 -","- C352 H432 N32 Si16 -","8","4","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.2598","0.1631","","","0.4158","0.4694","","","","","","1.033","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027910","7.214","0.002","21.153","0.006","33.108","0.009","90","","95.674","0.007","90","","5027","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.75 H56.75 Cl3.08 N4 O4 Si2 -","- C51.736 H56.736 Cl3.088 N4 O4 Si2 -","- C206.944 H226.944 Cl12.352 N16 O16 Si8 -","4","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.1717","0.1494","","","0.3649","0.3782","","","","","","1.122","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027911","38.388","0","38.388","0","12.218","0.002","90","0","90","0","120","0.015","15593","3","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H72 O6 -","- C72 H72 O6 -","- C648 H648 O54 -","9","0.5","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1742","0.155","","","0.312","0.3246","","","","","","1.223","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027912","12.299","0.003","16.054","0.003","17.763","0.004","81.15","0.03","88.58","0.03","74.64","0.03","3341.3","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H72 O6 -","- C72 H72 O6 -","- C144 H144 O12 -","2","1","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1092","0.084","","","0.2302","0.2483","","","","","","1.039","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027913","8.884","0.002","17.286","0.005","23.428","0.006","109.558","0.003","90.173","0.005","100.381","0.006","3326.9","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H66 Cl6 O6 -","- C78 H66 Cl6 O6 -","- C156 H132 Cl12 O12 -","2","1","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1367","0.1084","","","0.2376","0.2545","","","","","","1.137","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027914","7.2074","0.0002","15.3803","0.0004","16.4727","0.0005","78.3311","0.0003","83.2943","0.0003","87.9616","0.0003","1775.92","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H50 O9 Si -","- C39 H50 O9 Si -","- C78 H100 O18 Si2 -","2","1","","Farzad Malihi; Derrick L. J. Clive; Che-Chien Chang; Minaruzzaman","Synthetic Studies on CP-225,917 and CP-263,114: Access to Advanced Tetracyclic Systems by Intramolecular Conjugate Displacement and [2,3]-Wittig Rearrangement","Journal of Organic Chemistry","2013","78","","996","1013","10.1021/jo302467w","","","0.71073","MoKα","","0.0481","0.0373","","","0.0937","0.104","","","","","","1.053","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027915","21.7","0.009","10.919","0.005","21.173","0.008","90","","118.59","0.02","90","","4405","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C116 H96 O12 -","- C116 H96 O12 -","- C232 H192 O24 -","2","0.25","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.3008","0.0908","","","0.2102","0.2915","","","","","","0.93","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027916","11.9712","0.0012","11.9712","0.0012","9.9653","0.0013","90","","90","","120","","1236.8","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C30 H30 O4.5 -","- C30 H29.97 O4.5 -","- C60 H59.94 O9 -","2","0.333333","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0867","0.0619","","","0.1715","0.196","","","","","","1.013","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027917","12.0399","0.0007","12.0399","0.0007","9.8716","0.0007","90","","90","","120","","1239.26","0.13","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C H O -","- C1.61111 H1.665 O0.166667 -","- C58 H59.94 O6 -","36","6","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.1068","0.0798","","","0.2343","0.2696","","","","","","1.023","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027918","11.9","0.0009","11.9","0.0009","9.9832","0.0007","90","","90","","120","","1224.32","0.16","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C20 H20 O2.67 -","- C19.9933 H19.98 O2.66667 -","- C59.98 H59.94 O8 -","3","0.5","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0715","0.0592","","","0.1851","0.197","","","","","","1.076","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027919","8.642","0.004","11.335","0.005","12.752","0.006","101.855","0.008","101.09","0.007","108.971","0.007","1109.9","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 O3 -","- C29 H30 O3 -","- C58 H60 O6 -","2","1","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.1222","0.1025","","","0.2832","0.2937","","","","","","1.046","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027920","8.739","0.006","11.766","0.008","13.973","0.009","92.198","0.013","99.782","0.013","108.202","0.012","1338.6","1.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C64 H72 O8 -","2","1","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.275","0.1799","","","0.4812","0.5265","","","","","","1.528","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027921","14.34","0.001","10.507","0.001","13.04","0.002","90","","92.89","0.01","90","","1962.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-benzyl-11,11-diethyl-5-methyl-1,11-dihydroimidazol[2',1':3,4][1,4,2]- diazaborolo[1,5-a]indol-4-ium-11-uide","","- C23 H26 B N3 -","- C23 H26 B N3 -","- C92 H104 B4 N12 -","4","1","","Nazar Pidlypnyi; Jan C. Namyslo; Martin H. H. Drafz; Martin Nieger; Andreas Schmidt","Betaine-Carbene Interconversions. From N-Ylides to Zwitterionic N-Heterocyclic Carbene-Borane Adducts","Journal of Organic Chemistry","2013","78","","1070","1079","10.1021/jo302479p","","","0.71073","MoKα","","0.0589","0.0444","","","0.1097","0.1197","","","","","","1.04","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027922","21.753","0.012","14.269","0.008","17.857","0.01","90","","130.21","0.05","90","","4233","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N2 O14 -","- C48 H52 N2 O14 -","- C192 H208 N8 O56 -","4","0.5","","Elżbieta Gońka; Damian Myśliwiec; Tadeusz Lis; Piotr J. Chmielewski; Marcin Stępień","Synthesis of Bis(phenanthropyrroles) via a Tandem Scholl Oxidation","Journal of Organic Chemistry","2013","78","","1260","1265","10.1021/jo302486x","","","0.71073","MoKα","","0.2106","0.0674","","","0.0564","0.0646","","","","","","0.933","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027923","10.811","0.002","14.427","0.003","21.917","0.004","90","","90","","90","","3418.4","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H58 O4 S Si3 -","- C26 H58 O4 S Si3 -","- C104 H232 O16 S4 Si12 -","4","1","","Robin Daly; Thomas McCabe; Eoin M. Scanlan","Development of Fully and Partially Protected Fucosyl Donors for Oligosaccharide Synthesis","Journal of Organic Chemistry","2013","78","","1080","1090","10.1021/jo302487c","","","0.71073","MoKα","","0.0356","0.0343","","","0.0821","0.0834","","","","","","1.072","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027924","9.2047","0.0001","12.9635","0.0002","24.7453","0.0003","90","","90","","90","","2952.74","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C120 H168 N8 O16 S8 -","8","2","","David M. Hodgson; Christopher I. Pearson; Amber L. Thompson","α-Lithiation-Electrophile Trapping of N-Thiopivaloylazetidin-3-ol: Stereoselective Synthesis of 2-Substituted 3-Hydroxyazetidines","Journal of Organic Chemistry","2013","78","","1098","1106","10.1021/jo3025225","","","0.71073","MoKα","","0.0506","0.0412","","0.1052","0.1009","0.1052","","","","","","0.9936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027925","9.742","0.006","6.73","0.004","18.736","0.011","90","","97.666","0.01","90","","1217.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Darapaneni Chandra Mohan; Sadu Nageswara Rao; Subbarayappa Adimurthy","Synthesis of Imidazo[1,2-a]pyridines: ""Water-Mediated"" Hydroamination and Silver-Catalyzed Aminooxygenation","Journal of Organic Chemistry","2013","78","","1266","1272","10.1021/jo3025303","","","0.71073","MoKα","","0.072","0.0639","","","0.1913","0.1997","","","","","","1.093","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027926","10.188","0.005","9.927","0.005","11.211","0.005","90","","109.129","0.005","90","","1071.2","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C19 H28 F3 N O4 S -","- C19 H28 F3 N O4 S -","- C38 H56 F6 N2 O8 S2 -","2","1","","Fabienne Grellepois","Enantiopure Trifluoromethylated β3,3-Amino Acids: Synthesis by Asymmetric Reformatsky Reaction with Stable Analogues of TrifluoromethylN-tert-Butanesulfinylketoimines and Incorporation into α/β-Peptides","Journal of Organic Chemistry","2013","78","","1127","1137","10.1021/jo302549v","","x-ray","0.71073","MoKα","","0.1059","0.0553","","","0.083","0.0978","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027927","10.322","0.0002","10.6609","0.0002","11.5882","0.0002","109.332","0.0012","111.752","0.0013","99.3681","0.0013","1056.67","0.04","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Nikhom Wongsa; Ubonta Sommart; Thunwadee Ritthiwigrom; Arife Yazici; Somdej Kanokmedhakul; Kwanjai Kanokmedhakul; Anthony C. Willis; Stephen G. Pyne","Concise Synthesis of α-Substituted 2-Benzofuranmethamines and other 2-Subsituted Benzofurans via α-Substituted 2-Benzofuranmethyl Carbocation Intermediates","Journal of Organic Chemistry","2013","78","","1138","1148","10.1021/jo302554v","","","0.71073","MoKα","","0.0455","0.0391","","0.1051","0.1006","0.1051","","","","","","0.984","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027928","38.905","0.005","15.3839","0.0019","19.874","0.002","90","","103.18","0.003","90","","11581","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H114 Br7 N12 O10 -","- C132 H114 Br7 N12 O10 -","- C528 H456 Br28 N48 O40 -","4","0.5","","Bijan Roy; Arun Kumar Bar; Bappaditya Gole; Partha Sarathi Mukherjee","Fluorescent Tris-Imidazolium Sensors for Picric Acid Explosive","Journal of Organic Chemistry","2013","78","","1306","1310","10.1021/jo302585a","","","0.71073","MoKα","","0.2367","0.115","","","0.3398","0.4005","","","","","","1.186","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027929","15.2753","0.0019","15.4099","0.0014","31.734","0.004","90","","99.903","0.002","90","","7358.6","1.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C160 H130 Br2 N24 O32 -","- C160 H130 Br2 N24 O32 -","- C320 H260 Br4 N48 O64 -","2","1","","Bijan Roy; Arun Kumar Bar; Bappaditya Gole; Partha Sarathi Mukherjee","Fluorescent Tris-Imidazolium Sensors for Picric Acid Explosive","Journal of Organic Chemistry","2013","78","","1306","1310","10.1021/jo302585a","","","0.71073","MoKα","","0.4484","0.1446","","","0.3184","0.4812","","","","","","0.961","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027930","19.674","0.004","14.365","0.003","20.551","0.004","90","","99.25","0.03","90","","5733","2","143","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H42 O13 -","- C76 H38 O13 -","- C304 H152 O52 -","4","1","","Nana Xin; Xiaobing Yang; Zishuo Zhou; Jianxin Zhang; Showxin Zhang; Liangbing Gan","Synthesis of C60(O)3: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice","Journal of Organic Chemistry","2013","78","","1157","1162","10.1021/jo3026302","","","0.71073","MoKα","","0.199","0.0733","","","0.1356","0.1565","","","","","","1.007","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027931","16.947","0.004","15.195","0.003","18.824","0.004","90","","114.551","0.004","90","","4409.1","1.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C83 H22 O3 -","- C83 H22 O3 -","- C332 H88 O12 -","4","1","","Nana Xin; Xiaobing Yang; Zishuo Zhou; Jianxin Zhang; Showxin Zhang; Liangbing Gan","Synthesis of C60(O)3: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice","Journal of Organic Chemistry","2013","78","","1157","1162","10.1021/jo3026302","","","0.71073","MoKα","","0.1441","0.1158","","","0.2707","0.2842","","","","","","1.683","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027932","10.584","0.003","10.879","0.003","16.559","0.004","90","","98.725","0.005","90","","1884.6","0.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 S -","- C26 H18 S -","- C104 H72 S4 -","4","1","","Bo-Lun Hu; Sha-Sha Pi; Peng-Cheng Qian; Jin-Heng Li; Xing-Guo Zhang","Palladium-Catalyzed Iodine-Mediated Electrophilic Annulation of 2-(1-Alkynyl)biphenyls with Disulfides","Journal of Organic Chemistry","2013","78","","1300","1305","10.1021/jo302634n","","","0.71073","MoKα","","0.0751","0.0675","","","0.1393","0.1433","","","","","","1.227","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027933","6.0202","0.001","9.5695","0.0015","28.79","0.005","90","","90","","90","","1658.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br2 N2 O4 -","- C13 H16 Br2 N2 O4 -","- C52 H64 Br8 N8 O16 -","4","1","","Hao Sun; Jianlin Han; Padmanabha V. Kattamuri; Yi Pan; Guigen Li","Approach to Vicinalt-Boc-amino Dibromides via Catalytic Aminobromination of Nitrostyrenes without Using Chromatography and Recrystallization","Journal of Organic Chemistry","2013","78","","1171","1175","10.1021/jo302727v","","","0.71073","MoKα","","0.0659","0.042","","","0.1013","0.1091","","","","","","0.749","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027934","9.941","0.003","10.774","0.003","11.867","0.003","77.103","0.003","66.061","0.003","65.409","0.003","1054","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","Michael P. McCormack; Stephen P. Waters","Synthesis of Functionalized Indolizidines through Pauson-Khand Cycloaddition of 2-Allylpyrrolidines","Journal of Organic Chemistry","2013","78","","1176","1183","10.1021/jo302734w","","","0.71073","MoKα","","0.0405","0.0343","","","0.0829","0.0869","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027935","12.2523","0.0015","39.556","0.006","14.9678","0.0013","90","","90","","90","","7254.2","1.5","170","","170","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C120 H104 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1671","0.1023","","0.1836","0.1174","0.1049","","","","","","1.1139","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027936","11.8553","0.0004","11.991","0.0005","18.5166","0.0006","90","","90.351","0.001","90","","2632.21","0.16","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B2 F8 N2 -","- C30 H26 B2 F8 N2 -","- C120 H104 B8 F32 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0744","0.0569","","","0.142","0.1547","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027937","12.0251","0.0011","14.0218","0.0011","17.7444","0.0014","89.919","0.006","72.966","0.008","87.197","0.007","2857","0.4","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H66 B2 N2 -","- C78 H66 B2 N2 -","- C156 H132 B4 N4 -","2","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0906","0.0544","","0.0713","0.0529","0.0529","","","","","","1.1784","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027938","11.5458","0.0003","11.8918","0.0002","21.0317","0.0006","90","","122.155","0.004","90","","2444.73","0.15","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br2 N2 -","- C30 H26 Br2 N2 -","- C120 H104 Br8 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0381","0.0349","","0.0331","0.0317","0.0317","","","","","","1.3278","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027939","12.2508","0.0018","17.19","0.003","23.356","0.003","90","","90","","90","","4918.6","1.3","170","","170","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 Br2 N2 -","- C30 H26 Br2 N2 -","- C240 H208 Br16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0714","0.0495","","0.0779","0.0581","0.0581","","","","","","1.0262","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027940","8.308","0.0002","8.308","0.0002","40.7386","0.0011","90","","90","","90","","2811.89","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P 43 21 2","P 4nw 2abw","96","","","","- C34 H26 F6 N2 O4 -","- C34 H26 F6 N2 O4 -","- C136 H104 F24 N8 O16 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0448","0.0439","","","0.1241","0.1248","","","","","","1.135","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027941","20.6073","0.0004","20.6073","0.0004","46.635","0.0018","90","","90","","90","","19804.1","0.9","170","","170","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C720 H624 N48 -","24","1.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1145","0.0703","","0.1204","0.0809","0.0809","","","","","","1.1058","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027942","11.4978","0.001","11.519","0.0013","18.4158","0.0015","90","","90","","90","","2439","0.4","170","","170","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C30 H26 Cl2 N2 -","- C30 H26 Cl2 N2 -","- C120 H104 Cl8 N8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.1307","0.0986","","0.0908","0.0811","0.0811","","","","","","0.9865","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027943","11.7877","0.0005","12.1474","0.0005","18.8577","0.0009","90","","90.299","0.002","90","","2700.2","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl2 N2 O8 -","- C30 H26 Cl2 N2 O8 -","- C120 H104 Cl8 N8 O32 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0587","0.0479","","","0.1208","0.1297","","","","","","1.037","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027944","19.9753","0.0016","19.9753","0.0016","27.812","0.004","90","","90","","90","","11097","2","170","","170","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H30 N2 O9 S2 -","- C30 H30 N2 O9 S2 -","- C480 H480 N32 O144 S32 -","16","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0918","0.0698","","0.1275","0.0935","0.0935","","","","","","0.9496","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027945","12.228","0.0005","11.2609","0.0006","20.2299","0.0008","90","","90","","90","","2785.6","0.2","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C128 H128 N8 O24 S8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.0396","0.0357","","0.0389","0.0369","0.0369","","","","","","1.1537","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027946","12.3229","0.0004","18.3554","0.0005","22.9405","0.0006","90","","90","","90","","5189","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 I2 N2 -","- C30 H26 I2 N2 -","- C240 H208 I16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0449","0.0328","","","0.0734","0.0788","","","","","","1.095","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027947","11.5914","0.0011","11.8593","0.0006","21.167","0.002","90","","121.194","0.013","90","","2489","0.5","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O6 -","- C30 H26 N4 O6 -","- C120 H104 N16 O24 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0714","0.0582","","0.0787","0.07","0.07","","","","","","1.0982","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027948","21.5279","0.001","14.0894","0.0005","21.8075","0.0009","90","","90","","90","","6614.5","0.5","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C256 H208 F48 N16 O48 S16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0901","0.0547","","0.0945","0.0632","0.0632","","","","","","1.1155","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027949","11.903","0.0002","12.439","0.0002","20.873","0.0003","90","","89.805","0.0008","90","","3090.47","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C128 H104 F24 N8 O24 S8 -","4","2","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0702","0.0439","","","0.1029","0.114","","","","","","1.012","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027950","18.797","0.003","18.797","0.003","12.998","0.004","90","","90","","120","","3977.3","1.5","100","2","100","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C44 H68 F6 Fe N4 O8 S2 -","- C36 H48 F6 Fe N4 O6 S2 -","- C108 H144 F18 Fe3 N12 O18 S6 -","3","0.5","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.045","0.0406","","","0.1029","0.1044","","","","","","1.002","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027951","14.954","0.011","16.34","0.012","16.575","0.012","90","","90","","90","","4050","5","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.089","0.0549","","","0.144","0.161","","","","","","1.054","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027952","15.398","0.002","26.204","0.003","10.6011","0.0014","90","","90","","90","","4277.4","0.9","300","2","300","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.1112","0.0596","","","0.1301","0.1467","","","","","","0.967","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027953","12.228","0.0004","10.289","0.0004","11.5126","0.0004","90","","97.802","0.002","90","","1435.04","0.09","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0601","0.0452","","","0.1043","0.1168","","","","","","1.077","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027954","18.6617","0.001","5.4269","0.0008","29.7664","0.0013","90","","90","","90","","3014.6","0.5","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","2","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0872","0.0489","","","0.1126","0.1348","","","","","","1.042","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027955","10.1709","0.0005","15.5204","0.0009","14.9385","0.001","90","","99.783","0.007","90","","2323.8","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0569","0.0505","","","0.1284","0.1401","","","","","","1.074","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027956","9.972","0.0003","10.748","0.0003","12.86","0.0004","84.94","0.0017","83.24","0.0016","75.82","0.0018","1324.51","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C56 H56 Cl4 F2 N2 O8 -","2","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","0.7107","MoKα","","0.0776","0.0568","","","0.1486","0.1652","","","","","","1.023","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027957","11.107","0.003","23.9229","0.0004","20.0388","0.0014","90","","105.468","0.011","90","","5131.7","1.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl2 F N O3 -","- C26 H28 Cl2 F N O3 -","- C208 H224 Cl16 F8 N8 O24 -","8","2","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0567","0.0456","","","0.122","0.1345","","","","","","1.092","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027958","12.8738","0.0009","23.8897","0.0004","8.9217","0.0001","90","","101.111","0.007","90","","2692.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 1'-acetyl-6'-chloro-2-(3-chloro-2-fluorophenyl)-5-neopentyl-2' -oxospiro[cyclopent[3]ene-1,3'-indoline]-3-carboxylate","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C112 H112 Cl8 F4 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0676","0.0521","","","0.1327","0.1646","","","","","","1.144","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027959","10.868","0.002","10.96","0.003","12.176","0.003","81.087","0.003","72.553","0.005","74.45","0.004","1328.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C56 H56 Cl4 F2 N2 O8 -","2","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","0.7107","MoKα","","0.095","0.0653","","","0.171","0.196","","","","","","1.028","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027960","10.5343","0.0003","10.9772","0.0004","23.3812","0.0016","90","","98.035","0.007","90","","2677.2","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C112 H112 Cl8 F4 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0721","0.0549","","","0.1363","0.1611","","","","","","1.114","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027961","7.6506","0.0008","8.0881","0.0009","11.7507","0.0013","83.871","0.006","84.899","0.006","73.945","0.006","693.42","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C32 H32 O4 S2 -","2","1","","Ch Durga Prasad; Shah Jaimin Balkrishna; Amit Kumar; Bhagat Singh Bhakuni; Kaustubh Shrimali; Soumava Biswas; Sangit Kumar","Transition-Metal-Free Synthesis of Unsymmetrical Diaryl Chalcogenides from Arenes and Diaryl Dichalcogenides","Journal of Organic Chemistry","2013","78","","1434","1443","10.1021/jo302480j","","","0.71073","MoKα","","0.058","0.0487","","","0.1585","0.1754","","","","","","1.311","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027962","5.8855","0.0002","8.2344","0.0002","21.4492","0.0007","90","","90","","90","","1039.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0256","0.0253","","0.0696","0.0693","0.0696","","","","","","1.0061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027963","9.3133","0.0001","10.441","0.0001","18.1294","0.0002","90","","90","","90","","1762.91","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0331","0.0313","","0.0855","0.0827","0.0855","","","","","","0.9918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027964","5.9046","0.0001","8.2614","0.0001","21.5105","0.0001","90","","90","","90","","1049.29","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0254","0.0252","","0.0676","0.0674","0.0676","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027965","9.708","0.003","15.036","0.002","16.37","0.004","91.375","0.015","97.32","0.02","91.426","0.015","2368.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H50 Cl3 N4 O3 P -","- C53 H50 Cl3 N4 O3 P -","- C106 H100 Cl6 N8 O6 P2 -","2","1","","Bin Liu; Xiaofang Li; Xin Xu; Marcin Stępień; Piotr J. Chmielewski","3-(Dialkoxyphosphoryl)-N-confused Phlorin and Porphyrin. Synthesis, Stereochemistry, and Coordination Properties","Journal of Organic Chemistry","2013","78","","1354","1364","10.1021/jo302689d","","","1.54178","CuKα","","0.2518","0.1156","","","0.3018","0.3193","","","","","","1.558","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027966","28.9133","0.001","11.6762","0.0004","31.8371","0.0018","90","","104.692","0.004","90","","10396.7","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cd Cl N4 O3 P -","- C52 H46 Cd Cl N4 O3 P -","- C416 H368 Cd8 Cl8 N32 O24 P8 -","8","1","","Bin Liu; Xiaofang Li; Xin Xu; Marcin Stępień; Piotr J. Chmielewski","3-(Dialkoxyphosphoryl)-N-confused Phlorin and Porphyrin. Synthesis, Stereochemistry, and Coordination Properties","Journal of Organic Chemistry","2013","78","","1354","1364","10.1021/jo302689d","","","0.71073","MoKα","","0.1018","0.0707","","","0.1506","0.1612","","","","","","1.064","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027967","9.174","0.004","11.595","0.004","23.778","0.01","90","","90","","90","","2529.3","1.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl N3 O3 -","- C27 H30 Cl N3 O3 -","- C108 H120 Cl4 N12 O12 -","4","1","","Lei Zhao; Yudao Ma; Fuyan He; Wenzeng Duan; Jianqiang Chen; Chun Song","Enantioselective β-Boration of Acyclic Enones by a [2.2]Paracyclophane-Based N-Heterocyclic Carbene Copper(I) Catalyst","Journal of Organic Chemistry","2013","78","","1677","1681","10.1021/jo302694d","","","0.71073","MoKα","","0.0932","0.0556","","","0.1393","0.1698","","","","","","0.952","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027968","10.8557","0.0008","7.3889","0.0005","19.8046","0.0014","90","","100.406","0.001","90","","1562.43","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","organic","organic","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C60 H60 Cl4 N8 O16 -","4","1","","Xinfang Xu; Peter Y. Zavalij; Wenhao Hu; Michael P. Doyle","Vinylogous Reactivity of Enol Diazoacetates with Donor-Acceptor Substituted Hydrazones. Synthesis of Substituted Pyrazole Derivatives","Journal of Organic Chemistry","2013","78","","1583","1588","10.1021/jo302696y","","","0.71073","MoKα","","0.0456","0.0378","","","0.0747","0.0761","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027969","7.3396","0.0006","8.7082","0.0006","9.9553","0.0009","85.772","0.002","74.592","0.003","89.535","0.003","611.71","0.09","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","","Masahiro Yoshida; Tomomi Nakagawa; Kouki Kinoshita; Kozo Shishido","Regiocontrolled Construction of Furo[3,2-c]pyran-4-one Derivatives by Palladium-Catalyzed Cyclization of Propargylic Carbonates with 4-Hydroxy-2-pyrones","Journal of Organic Chemistry","2013","78","","1687","1692","10.1021/jo3027092","","","0.7107","MoKα","","","0.084","","","","0.155","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027970","14.0092","0.0011","5.4563","0.0004","19.4651","0.0012","90","","104.045","0.005","90","","1443.4","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C68 H60 F4 N8 O4 -","4","1","","Liangguang Wang; Xiaoqiang Yu; Xiujuan Feng; Ming Bao","Synthesis of 3,5-Disubstituted Pyrazoles via Cope-Type Hydroamination of 1,3-Dialkynes","Journal of Organic Chemistry","2013","78","","1693","1698","10.1021/jo302732v","","","0.71073","MoKα","","0.1023","0.058","","","0.1564","0.178","","","","","","1.029","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027971","5.2028","0.0003","12.2999","0.0007","27.7966","0.0015","90","","90","","90","","1778.81","0.17","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Stefan C. Söderman; Adrian L. Schwan","Sulfenate Substitution as a Complement and Alternative to Sulfoxidation in the Diastereoselective Preparation of Chiral β-Substituted β-Amino Sulfoxides","Journal of Organic Chemistry","2013","78","","1638","1649","10.1021/jo302769b","","","1.54178","CuKα","","0.032","0.0306","","","0.0812","0.082","","","","","","1.069","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027972","9.0163","0.0009","8.9386","0.0009","10.7156","0.001","90","","104.137","0.001","90","","837.45","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11197a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0397","0.0344","","","0.0821","0.086","","","","","","1.072","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027973","9.107","0.003","11.053","0.004","24.15","0.008","90","","90","","90","","2430.9","1.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","11226a","","","- C26 H24 Cl3 N O7 -","- C26 H24 Cl3 N O7 -","- C104 H96 Cl12 N4 O28 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.031","0.028","","","0.0626","0.0644","","","","","","1.01","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027974","14.202","0.002","6.261","0.0009","19.724","0.003","90","","94.402","0.002","90","","1748.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0687","0.0461","","","0.0892","0.0989","","","","","","1.015","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027975","6.7377","0.0008","14.7429","0.0018","18.131","0.002","90","","90","","90","","1801","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0423","0.036","","","0.0859","0.091","","","","","","1.049","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027976","7.4036","0.0005","40.272","0.003","9.8627","0.0006","90","","104.307","0.005","90","","2849.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 Fe N9 -","- C34 H19 Fe N9 -","- C136 H76 Fe4 N36 -","4","1","","Benjamin Breiten; Markus Jordan; Daisuke Taura; Michal Zalibera; Markus Griesser; Daria Confortin; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Georg Gescheidt; François Diederich","Donor-Substituted Octacyano[4]dendralenes: Investigation of π-Electron Delocalization in Their Radical Ions","Journal of Organic Chemistry","2013","78","","1760","1767","10.1021/jo301194y","","","1.54178","CuKα","","0.1535","0.0603","","","0.154","0.1831","","","","","","1.066","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027977","8.48","0.003","15.471","0.004","18.112","0.005","91.016","0.007","94.203","0.008","93.318","0.008","2365.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H32 Cl4 N10 -","- C54 H32 Cl4 N10 -","- C108 H64 Cl8 N20 -","2","1","","Benjamin Breiten; Markus Jordan; Daisuke Taura; Michal Zalibera; Markus Griesser; Daria Confortin; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Georg Gescheidt; François Diederich","Donor-Substituted Octacyano[4]dendralenes: Investigation of π-Electron Delocalization in Their Radical Ions","Journal of Organic Chemistry","2013","78","","1760","1767","10.1021/jo301194y","","","0.71073","MoKα","","0.2141","0.0956","","","0.2149","0.2696","","","","","","1.147","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027978","29.2377","0.0006","8.1211","0.0002","5.9432","0.0001","90","","90","","90","","1411.17","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Amy M. Green; Hannah R. Naughton; Zachariah B. Nealy; Robert D. Pike; Christopher J. Abelt","Carbonyl-Twisted 6-Acyl-2-dialkylaminonaphthalenes as Solvent Acidity Sensors","Journal of Organic Chemistry","2013","78","","1784","1789","10.1021/jo301263g","","","1.54178","CuKα","","0.0466","0.0462","","","0.1307","0.131","","","","","","1.031","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027979","9.437","0.0013","9.9383","0.0014","22.121","0.003","90","","90","","90","","2074.7","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C92 H88 N8 O16 S4 -","4","1","","Kong-Zhen Hu; Jie Ma; Shi Qiu; Xiao Zheng; Pei-Qiang Huang","SmI2-Mediated Intermolecular Coupling of γ-LactamN-α-Radicals with Activated Alkenes: Asymmetric Synthesis of 11-Hydroxylated Analogues of the Lead Compounds CP-734432 and PF-04475270","Journal of Organic Chemistry","2013","78","","1790","1801","10.1021/jo301277n","","","0.71073","MoKα","","0.0418","0.0396","","","0.101","0.1025","","","","","","1.044","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027980","3.9024","0.0001","18.9972","0.0004","14.5823","0.0003","90","","92.162","0.001","90","","1080.28","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","methyl 6-phenylpyran-2-one-4-carboxylate","","- C13 H10 O4 -","- C13 H10 O4 -","- C52 H40 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0402","0.0347","","","0.0972","0.1025","","","","","","1.051","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027981","17.9308","0.0004","8.6679","0.0002","12.188","0.0002","90","","91.474","0.001","90","","1893.66","0.07","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","dimethyl spiro[endo-5-phenacylbicyclo[2.2.1]hept-2-ene- exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0575","0.0456","","","0.1321","0.1484","","","","","","1.007","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027982","15.6683","0.0004","18.0653","0.0005","22.3298","0.0006","70.632","0.002","72.214","0.002","74.598","0.002","5582.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl spiro[exo-5-phenacylbicyclo[2.2.1] hept-2-ene-endo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C21 H22 O5 -","- C21 H22 O5 -","- C252 H264 O60 -","12","6","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.223","0.0565","","","0.1396","0.2233","","","","","","0.907","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027983","7.6468","0.0001","13.3878","0.0003","17.294","0.0003","90","","90","","90","","1770.45","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5-((1'RS)-1'-benzoylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0859","0.0819","","","0.2187","0.2277","","","","","","1.046","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027984","8.5804","0.0001","8.7358","0.0001","16.1135","0.0002","98.901","0.001","94.857","0.001","113.388","0.001","1080.92","0.02","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5- ((1'RS)-1'-benzoyl-2'-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate","","- C26 H26 O5 -","- C26 H26 O5 -","- C52 H52 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0512","0.0416","","","0.119","0.1291","","","","","","1.005","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027985","8.6424","0.0002","11.4282","0.0002","22.3162","0.0005","90","","92.055","0.001","90","","2202.69","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5- ((1'SR)-1'-benzoyl-2'-phenylethyl)bicyclo[2.2.1] hept-2-ene-exo-5,endo-6-dicarboxylate","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.065","0.0445","","","0.1172","0.1363","","","","","","0.999","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027986","9.3974","0.0002","9.5924","0.0002","12.4627","0.0002","99.479","0.001","108.515","0.001","93.667","0.001","1042.59","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl exo-5-(1'-benzoyl-1'-phenylmethyl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0503","0.0437","","","0.1221","0.1301","","","","","","1.017","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027987","8.5739","0.0006","9.0535","0.0007","16.3809","0.0015","99.041","0.005","93.136","0.005","114.132","0.003","1135.98","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4RS, 5RS, 6SR)-spiro [(1''RS)-endo-5-(1''-benzoyl-2''-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0586","0.0511","","","0.1592","0.1723","","","","","","0.918","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027988","9.8314","0.0002","9.0122","0.0002","13.5105","0.0003","90","","99.774","0.001","90","","1179.69","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","none","dimethyl (1RS, 4RS, 5RS, 6SR)-spiro [endo-5-((1''SR)-1''-benzoyl-2''-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0652","0.0416","","","0.1008","0.1143","","","","","","1.017","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027989","7.8067","0.0001","6.1544","0.0001","29.8237","0.0003","90","","93.767","0.001","90","","1429.8","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","delta-oxetane","Methyl (1RS, 3SR, 4RS, 5RS, 6SR, 9RS, 10SR)-11-oxa-3- phenyltetracyclo[4.3.1.13,5.04,9]undecane-10-carboxylate","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0706","0.0498","","","0.1211","0.1327","","","","","","1.028","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027990","22.3257","0.001","21.0462","0.0009","21.4409","0.001","90","","107.855","0.002","90","","9589.2","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","elimination product","Methyl endo-5-hydroxy-2-methyl-3-phenyltricyclo [4.3.1.0^4,9^]dec-2-ene-exo-10-carboxylate","","- C19 H22 O3 -","- C19 H22 O3 -","- C456 H528 O72 -","24","3","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.1559","0.0481","","","0.1518","0.231","","","","","","0.927","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027991","6.0802","0.0003","11.6812","0.0006","12.2613","0.0006","95.495","0.003","92.632","0.003","101.434","0.003","847.76","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1SR, 2RS, 3RS, 5SR, 6SR, 7RS, 9SR, 10SR)- 3-hydroxy-3-phenyltetracyclo [3.3.1.1^7,9^.0^2,6^]decane-9,10-dicaboxylate","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0581","0.0402","","","0.1072","0.1193","","","","","","0.984","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027992","9.8942","0.0003","10.2782","0.0003","12.6652","0.0004","66.741","0.002","89.148","0.002","77.118","0.002","1149.67","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 2RS, 3SR, 4SR, 5RS, 6SR, 7RS, 9SR, 10SR)- spiro[3-hydroxy-3,4-diphenyltetracyclo[3.3.1.1^7,9^.0^2,6^] decane-9,10-dicaboxylate-8,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0531","0.0392","","","0.1022","0.1173","","","","","","0.958","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027993","9.6324","0.0012","14.8876","0.0019","16.35","0.002","68.818","0.007","89.637","0.007","73.735","0.007","2086.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 2RS, 3RS, 4SR, 5RS, 6SR, 7RS, 9SR, 10SR)- spiro[4-ethyl-3-hydroxy-3-phenyltetracyclo[3.3.1.1^7,9^.0^2,6^] decane-9,10-dicaboxylate-8,1'-cyclopropane]","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0869","0.0771","","","0.203","0.2168","","","","","","1.026","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027994","8.5945","0.0001","11.1423","0.0002","11.3638","0.0002","88.382","0.001","79.091","0.001","74.839","0.001","1031.11","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 3RS, 4RS, 5SR, 6SR, 7RS, 8SR, 9SR)- spiro[6-hydroxy-6-phenyl-5-propyltetracyclo[3.2.1.1^3,8^.0^4,7^] nonane-8,9-dicaboxylate-2,1'-cyclopropyl]","","- C24 H28 O5 -","- C24 H28 O5 -","- C48 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0436","0.039","","","0.1117","0.1185","","","","","","0.949","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027995","7.6888","0.0002","25.3925","0.0008","12.9468","0.0004","90","","90","","90","","2527.71","0.13","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","dimethyl 11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^] dodeca-4,9-diene-2,7-dicarboxylate","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.08","0.0681","","","0.1895","0.1981","","","","","","1.115","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027996","5.9681","0.0001","32.3016","0.0004","8.5098","0.0001","90","","95.708","0.001","90","","1632.38","0.04","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","none","dimethyl exo-5-phenacylbicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0454","0.0371","","","0.0987","0.1058","","","","","","1.016","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027997","10.8266","0.0003","8.326","0.0002","19.1289","0.0005","90","","93.793","0.001","90","","1720.55","0.08","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","none","dimethyl (1RS, 4SR, 5SR, 6RS)-exo-5-((2'RS)-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0519","0.044","","","0.1221","0.1299","","","","","","1.028","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027998","10.4496","0.0005","18.3597","0.0008","15.3287","0.0007","90","","94.863","0.002","90","","2930.2","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","none","methyl (1RS, 4SR, 5RS, 6SR)-exo-6- ((2'RS)-1'-indanon-2'-yl)bicyclo[2.2.1] hept-2-ene-endo-5-carboxylate","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0489","0.0401","","","0.1067","0.1161","","","","","","0.998","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027999","9.303","0.0001","9.3452","0.0001","11.6049","0.0001","82.811","0.001","84.72","0.001","66.999","0.001","920.372","0.018","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1SR, 4RS, 5RS, 6RS)-exo-5- ((2'SR, 3'RS)-3'-methyl-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,endo-6-dicarboxylate","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0491","0.0438","","","0.1223","0.1304","","","","","","1.013","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028000","9.9431","0.0001","14.1487","0.0002","30.3355","0.0004","90","","96.712","0.001","90","","4238.41","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23.5 O5 -","- C26 H23.5 O5 -","- C208 H188 O40 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0804","0.0694","","","0.2043","0.2175","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028001","9.4925","0.0004","11.313","0.0005","11.628","0.0005","67.47","0.002","82.067","0.002","69.069","0.002","1077.3","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4SR, 5SR, 6RS)-exo-5- ((2'SR, 3'SR)-3'-phenyl-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C26 H24 O5 -","- C26 H24 O5 -","- C52 H48 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0445","0.0391","","","0.1061","0.1118","","","","","","0.996","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028002","12.947","0.001","13.2698","0.001","18.1285","0.0014","75.764","0.004","75.34","0.004","69.306","0.004","2776.3","0.4","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C41 H27 Br -","- C41 H27 Br -","- C164 H108 Br4 -","4","2","","Frank B. Mallory; Clelia W. Mallory; Colleen K. Regan; Rebecca J. Aspden; Annie Butler Ricks; Joy M. Racowski; Abigail I. Nash; Ahmara V. Gibbons; Patrick J. Carroll; Joseph M. Bohen","Phenyl Groups versus tert-Butyl Groups as Solubilizing Substituents for Some [5]Phenacenes and [7]Phenacenes","Journal of Organic Chemistry","2013","78","","2040","2045","10.1021/jo3020819","","","1.54178","CuKα","","0.0445","0.0401","","","0.1137","0.1164","","","","","","1.164","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028003","8.802","0.002","12.636","0.003","13.191","0.003","111.156","0.003","93.692","0.004","104.707","0.003","1303.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 Br O8 -","- C29 H29 Br O8 -","- C58 H58 Br2 O16 -","2","1","","Samuel R. S. Sarsah; Marlon R. Lutz; Matthias Zeller; David S. Crumrine; Daniel P. Becker","Rearrangement of Cyclotriveratrylene (CTV) Diketone: 9,10-Diarylanthracenes with OLED Applications","Journal of Organic Chemistry","2013","78","","2051","2058","10.1021/jo302139w","","","0.71073","MoKα","","0.0642","0.0485","","","0.1297","0.1398","","","","","","1.049","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028004","9.2842","0.0019","12.395","0.003","12.941","0.003","86.217","0.003","70.284","0.003","86.07","0.003","1397.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 Br Cl2 O8 -","- C28 H27 Br Cl2 O8 -","- C56 H54 Br2 Cl4 O16 -","2","1","","Samuel R. S. Sarsah; Marlon R. Lutz; Matthias Zeller; David S. Crumrine; Daniel P. Becker","Rearrangement of Cyclotriveratrylene (CTV) Diketone: 9,10-Diarylanthracenes with OLED Applications","Journal of Organic Chemistry","2013","78","","2051","2058","10.1021/jo302139w","","","0.71073","MoKα","","0.0725","0.0591","","","0.1601","0.1682","","","","","","1.084","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028005","5.8187","0.0008","9.6719","0.0013","30.809","0.004","90","","90","","90","","1733.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Ni-tao Zhang; Cheng-chu Zeng; Chiu Marco Lam; Randi K. Gbur; R. Daniel Little","Triarylimidazole Redox Catalysts: Electrochemical Analysis and Empirical Correlations","Journal of Organic Chemistry","2013","78","","2104","2110","10.1021/jo302309m","","","0.71073","MoKα","","0.0451","0.039","","","0.0895","0.0917","","","","","","1.089","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028006","11.194","0.005","11.997","0.005","12.342","0.005","89.61","0.005","80.206","0.005","64.565","0.005","1470.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C64 H68 N4 O8 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1862","0.1009","","","0.2178","0.279","","","","","","1.119","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028007","10.408","0.005","11.505","0.005","13.445","0.005","101.221","0.005","106.997","0.005","107.056","0.005","1401","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C64 H68 N4 O8 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","x-ray","0.71069","MoKα","","0.1131","0.0767","","","0.2","0.2923","","","","","","1.122","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028008","11.951","0.005","11.17","0.005","19.919","0.005","90","","91.076","0.005","90","","2658.6","1.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O4 S -","- C31 H32 N2 O4 S -","- C124 H128 N8 O16 S4 -","4","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.2001","0.0805","","","0.1542","0.214","","","","","","0.937","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028009","10.816","0.005","11.834","0.005","13.362","0.005","95.574","0.005","110.301","0.005","111.794","0.005","1438.4","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O6 S -","- C32 H33 N3 O6 S -","- C64 H66 N6 O12 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1298","0.0797","","","0.1897","0.2688","","","","","","1.113","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028010","12.422","0.005","23.512","0.005","11.263","0.005","90","","115.713","0.005","90","","2963.8","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 O5 S -","- C33 H36 N2 O5 S -","- C132 H144 N8 O20 S4 -","4","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1616","0.0729","","","0.1517","0.2049","","","","","","0.947","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028011","5.442","","11.7123","0.0002","19.0408","0.0013","90","","90","","90","","1213.63","0.09","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0342","0.0326","","","0.0824","0.0843","","","","","","1.106","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028012","12.725","0.005","8.406","0.004","23.918","0.006","90","","95.128","0.005","90","","2548.2","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 O8 P -","- C29 H25 O8 P -","- C116 H100 O32 P4 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.1182","0.054","","","0.1075","0.1729","","","","","","1.114","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028013","9.041","0.0002","19.0319","0.0005","15.9413","0.0013","90","","116.538","0.006","90","","2454","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O8 P -","- C26 H27 O8 P -","- C104 H108 O32 P4 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0976","0.0738","","","0.1876","0.2172","","","","","","1.154","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028014","7.6937","0.0004","9.5654","0.0006","19.816","0.0013","90","","90","","90","","1458.33","0.15","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-5,5-dimethyl-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0492","0.0444","","","0.1044","0.1107","","","","","","1.096","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028015","7.8825","0.0008","10.8228","0.0011","15.9897","0.0017","87.01","0.002","88.663","0.002","76.653","0.002","1325.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 F2 O2 -","- C36 H26 F2 O2 -","- C72 H52 F4 O4 -","2","1","","Maozhong Miao; Jian Cao; Jingjing Zhang; Xian Huang; Luling Wu","Cu(I)-Catalyzed Domino Reaction of 3-Cyclopropylideneprop-2-en-1-ones","Journal of Organic Chemistry","2013","78","","2687","2692","10.1021/jo302312y","","","0.71073","MoKα","","0.0659","0.0558","","","0.1508","0.16","","","","","","1.035","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028016","15.9127","0.0003","15.9127","0.0003","19.3896","0.0005","90","","90","","90","","4909.72","0.18","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(26IO)4","","","- C48 H28 N12 O8 -","- C48 H28 N12 O8 -","- C192 H112 N48 O32 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.046","0.0422","","","0.1135","0.1164","","","","","","1.023","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028017","12.5381","0.0001","11.7299","0.0001","28.1349","0.0003","90","","92.935","0.001","90","","4132.39","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(IO)3:2DMSO","","","- C43 H36 N6 O8 S2 -","- C43 H36 N6 O8 S2 -","- C172 H144 N24 O32 S8 -","4","1","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0607","0.0574","","","0.1586","0.1625","","","","","","1.053","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028018","11.9279","0.0009","12.0291","0.0009","16.8723","0.0013","84.618","0.006","86.984","0.006","76.201","0.007","2339.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","(IO)4_CHCl3","","","- C53 H33 Cl3 N8 O8 -","- C53 H33 Cl3 N8 O8 -","- C106 H66 Cl6 N16 O16 -","2","1","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0567","0.0448","","","0.1118","0.1232","","","","","","1.037","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028019","13.3884","0.0004","13.5458","0.0004","20.0062","0.0007","76.205","0.003","89.176","0.002","89.633","0.002","3523.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","(26IO)3_CHCl3","","","- C36.8 H22.85 Cl1.35 N9 O6.25 -","- C36.8 H22.85 Cl1.35 N9 O6.25 -","- C147.2 H91.4 Cl5.4 N36 O25 -","4","2","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.072","0.0595","","","0.1619","0.1758","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028020","22.7814","0.0001","22.7814","0.0001","19.0308","0.0001","90","","90","","90","","9876.84","0.08","294","2","294","2","","","","","","","","5","P -4 21 c","P -4 2n","114","(26IO)4_OC","","","- C99 H61 Cl7 N24 O16 -","- C99 H61 Cl7 N24 O16 -","- C396 H244 Cl28 N96 O64 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0487","0.0458","","","0.1316","0.1358","","","","","","1.028","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028021","8.5291","0.0011","12.2811","0.0015","13.3324","0.0016","70.573","0.002","80.1","0.002","81.923","0.002","1292.2","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 Br N2 O5 S -","- C25 H29 Br N2 O5 S -","- C50 H58 Br2 N4 O10 S2 -","2","1","","Jian Chen; Zhi-Cong Geng; Ning Li; Xiao-Fei Huang; Feng-Feng Pan; Xing-Wang Wang","Organocatalytic Asymmetric Michael Addition of Aliphatic Aldehydes to Indolylnitroalkenes: Access to Contiguous Stereogenic Tryptamine Precursors","Journal of Organic Chemistry","2013","78","","2362","2372","10.1021/jo3024945","","","0.71073","MoKα","","0.0739","0.0696","","","0.1919","0.194","","","","","","1.071","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028022","7.359","0.005","7.989","0.005","12.405","0.005","83.867","0.005","80.951","0.005","87.08","0.005","715.7","0.7","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","2","","Biswajit Panda; Tarun K. Sarkar","Gold Catalysis: Regio- and Stereoselective Total Synthesis of Xyloketals D and G and the Related Natural Product Alboatrin","Journal of Organic Chemistry","2013","78","","2413","2421","10.1021/jo302545n","","","0.71073","MoKα","","0.1061","0.0545","","","0.1526","0.1899","","","","","","1.016","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028023","11.506","0.003","22.806","0.005","12.71","0.003","90","","107.571","0.003","90","","3179.6","1.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H70 O8 Si4 -","- C56 H102 O8 Si4 -","- C112 H204 O16 Si8 -","2","1","","Liang Lu; Wei Zhang; Sangkil Nam; David A. Horne; Richard Jove; Rich G. Carter","Amphidinolide B: Total Synthesis, Structural Investigation, and Biological Evaluation","Journal of Organic Chemistry","2013","78","","2213","2247","10.1021/jo3026077","","","0.71073","MoKα","","0.0986","0.0709","","","0.1756","0.198","","","","","","0.999","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028024","17.131","0.003","18.112","0.003","19.066","0.003","90","","102.984","0.002","90","","5764.5","1.7","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 O4 -","- C38 H38 O4 -","- C304 H304 O32 -","8","2","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0833","0.055","","","0.1204","0.1352","","","","","","0.999","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028025","15.4234","0.0018","15.0184","0.0018","14.9236","0.0018","90","","118.807","0.001","90","","3029","0.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O4 -","- C40 H42 O4 -","- C160 H168 O16 -","4","1","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0812","0.0586","","","0.1363","0.1459","","","","","","1.084","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028026","9.8661","0.0015","37.305","0.006","13.776","0.002","90","","104.852","0.002","90","","4900.9","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 O4 -","- C42 H46 O4 -","- C252 H276 O24 -","6","1.5","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0744","0.0491","","","0.1127","0.1256","","","","","","1.029","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028027","13.017","0.005","13.523","0.005","16.174","0.006","78.252","0.005","69.584","0.005","68.704","0.004","2476.4","1.6","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H74 O4 Si4 -","- C50 H74 O4 Si4 -","- C100 H148 O8 Si8 -","2","1","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.1449","0.0611","","","0.1195","0.1468","","","","","","0.84","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028028","10.5768","0.001","13.5065","0.0013","12.0761","0.0012","90","","90.12","0.001","90","","1725.1","0.3","93","","93","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0415","0.0375","","","0.0986","0.1016","","","","","","1.106","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028029","15.957","0.004","4.0031","0.001","15.819","0.004","90","","116.708","0.003","90","","902.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 Br S3 -","- C8 H3 Br S3 -","- C32 H12 Br4 S12 -","4","1","","Hui Han; Wenling Zhao; Jinsheng Song; Chunli Li; Hua Wang","Selectivity of Br/Li Exchange and Deprotonation of 4,4'-Dibromo-3,3'-bithiophene for Synthesis of Symmetrical and Unsymmetrical Dithienoheteroaromatic Rings","Journal of Organic Chemistry","2013","78","","2726","2730","10.1021/jo302635y","","","0.71073","MoKα","","0.1372","0.0858","","","0.2057","0.2367","","","","","","0.916","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028030","7.802","0.01","7.872","0.011","15.48","0.02","84.27","0.02","84.91","0.02","82.84","0.02","936","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 Br O S2 -","- C9 H3 Br O S2 -","- C36 H12 Br4 O4 S8 -","4","2","","Hui Han; Wenling Zhao; Jinsheng Song; Chunli Li; Hua Wang","Selectivity of Br/Li Exchange and Deprotonation of 4,4'-Dibromo-3,3'-bithiophene for Synthesis of Symmetrical and Unsymmetrical Dithienoheteroaromatic Rings","Journal of Organic Chemistry","2013","78","","2726","2730","10.1021/jo302635y","","","0.71073","MoKα","","0.1331","0.0739","","","0.1632","0.1802","","","","","","1.006","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028031","8.681","0.005","9.419","0.005","11.422","0.01","100.02","0.03","97.28","0.03","116.291","0.018","802.3","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Debjit Das; Sanjay Pratihar; Sujit Roy","Heterobimetallic Pd-Sn Catalysis: Michael Addition Reaction with C-, N-, O-, and S-Nucleophiles and in Situ Diagnostics","Journal of Organic Chemistry","2013","78","","2430","2442","10.1021/jo302643v","","","0.71073","MoKα","","0.123","0.0508","","","0.1208","0.1551","","","","","","0.929","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028032","5.6935","0.0007","7.4544","0.0009","29.487","0.004","90","","93.565","0.004","90","","1249.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Debjit Das; Sanjay Pratihar; Sujit Roy","Heterobimetallic Pd-Sn Catalysis: Michael Addition Reaction with C-, N-, O-, and S-Nucleophiles and in Situ Diagnostics","Journal of Organic Chemistry","2013","78","","2430","2442","10.1021/jo302643v","","","0.71073","MoKα","","0.0612","0.0396","","","0.0871","0.0971","","","","","","1.029","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028033","12.015","0.004","15.895","0.005","16.253","0.005","90","","105.595","0.004","90","","2989.7","1.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 F18 O6 -","- C72 H36 F18 O6 -","- C144 H72 F36 O12 -","2","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0834","0.0677","","","0.1788","0.1916","","","","","","1.132","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028034","10.282","0.006","11.031","0.006","10.571","0.006","90","","109.4","0.008","90","","1130.9","1.1","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(5-Bpinfuran-2-yl)acetylene","","","- C22 H28 B2 O6 -","- C22 H28 B2 O6 -","- C44 H56 B4 O12 -","2","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0438","0.0383","","","0.1046","0.1087","","","","","","1.087","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028035","5.765","0.003","9.629","0.004","11.29","0.006","108.22","0.03","100.96","0.03","104.09","0.04","552.8","0.5","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","","hexa(furan-2-yl)benzene","","- C30 H18 O6 -","- C30 H18 O6 -","- C30 H18 O6 -","1","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0454","0.0388","","","0.1083","0.1121","","","","","","1.081","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028036","7.657","0.004","8.565","0.005","11.673","0.007","98.048","0.01","101.158","0.007","97.855","0.008","733","0.7","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","hexakis(5-methylfuran-2-yl)benzene","hexakis(5-methylfuran-2-yl)benzene","","- C36 H30 O6 -","- C36 H30 O6 -","- C36 H30 O6 -","1","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0634","0.0457","","","0.1073","0.1187","","","","","","1.002","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028037","16.951","0.002","25.304","0.003","19.179","0.003","90","","90","","90","","8226.4","1.9","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hexakis(5-Bpinfuran-2-yl)benzene","Hexakis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-2-furyl]benzene","","- C80 H100 B6 O18 -","- C80 H100 B6 O18 -","- C320 H400 B24 O72 -","4","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0754","0.071","","","0.1916","0.1961","","","","","","1.113","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028038","26.337","0.011","11.923","0.005","34.985","0.014","90","","96.567","0.005","90","","10914","8","100.15","","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hexakis(5-phenylfuran-2-yl)benzene","","- C72 H56 O6 -","- C72 H56 O6 -","- C576 H448 O48 -","8","1","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.12","0.1049","","","0.2362","0.2461","","","","","","1.244","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028039","7.412","0.005","11.143","0.008","18.737","0.012","90","","94.162","0.015","90","","1543.4","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O3 S -","- C16 H16 Br N O3 S -","- C64 H64 Br4 N4 O12 S4 -","4","1","","Boris Egart; Dieter Lentz; Constantin Czekelius","Diastereoselective Bromocyclization of O-Allyl-N-tosyl-hydroxylamines","Journal of Organic Chemistry","2013","78","","2490","2499","10.1021/jo3026725","","","0.71073","MoKα","","0.0504","0.04","","","0.1057","0.1115","","","","","","1.065","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028040","7.5229","0.0011","9.9379","0.0015","10.546","0.0015","78.088","0.003","88.577","0.003","74.232","0.003","742.02","0.19","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Br N O3 S -","- C14 H18 Br N O3 S -","- C28 H36 Br2 N2 O6 S2 -","2","1","","Boris Egart; Dieter Lentz; Constantin Czekelius","Diastereoselective Bromocyclization of O-Allyl-N-tosyl-hydroxylamines","Journal of Organic Chemistry","2013","78","","2490","2499","10.1021/jo3026725","","","0.71073","MoKα","","0.0293","0.0239","","","0.0605","0.0633","","","","","","1.065","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028041","9.254","0.0014","17.036","0.003","10.3534","0.0016","90","","94.202","0.003","90","","1627.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H51 N5 O8 -","- C27 H51 N5 O8 -","- C54 H102 N10 O16 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0727","0.049","","","0.0639","0.0694","","","","","","0.831","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028042","11.926","0.002","8.7132","0.0017","13.814","0.003","90","","94.826","0.004","90","","1430.4","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C48 H86 N10 O14 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0914","0.0681","","","0.1087","0.1178","","","","","","1.021","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028043","8.103","0.002","9.953","0.003","10.356","0.004","90","","116.195","0.004","90","","749.4","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 S2 -","- C14 H20 N2 S2 -","- C28 H40 N4 S4 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0519","0.0486","","","0.1337","0.1386","","","","","","1.061","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028044","5.142","0.001","8.5329","0.0017","9.86","0.002","84.688","0.003","83.755","0.002","85.838","0.003","427.35","0.15","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br2 N2 S2 -","- C14 H18 Br2 N2 S2 -","- C14 H18 Br2 N2 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0574","0.0535","","","0.1319","0.1344","","","","","","1.047","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028045","13.393","0.002","8.369","0.0014","10.1189","0.0016","90","","107.022","0.002","90","","1084.5","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N6 S2 -","- C20 H24 N6 S2 -","- C40 H48 N12 S4 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0486","0.0385","","","0.1104","0.1174","","","","","","1.099","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028046","5.4824","0.0015","9.311","0.003","11.76","0.003","82.339","0.004","77.41","0.003","73.259","0.004","559.4","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 S2 -","- C24 H26 N4 S2 -","- C24 H26 N4 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0596","0.0454","","","0.1174","0.127","","","","","","0.974","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028047","5.175","0.013","25.53","0.06","9.45","0.02","90","","117.87","0.04","90","","1104","4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 S4 -","- C22 H24 N2 S4 -","- C44 H48 N4 S8 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.1891","0.0918","","","0.2119","0.2475","","","","","","0.952","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028048","5.4606","0.0019","12.111","0.004","14.081","0.005","100.073","0.005","96.591","0.007","101.281","0.006","888.4","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N4 O6 S2 -","- C34 H42 N4 O6 S2 -","- C34 H42 N4 O6 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.1748","0.0908","","","0.2409","0.2773","","","","","","1.046","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028049","8.436","0.006","9.551","0.007","10.274","0.007","102.203","0.009","105.772","0.009","100.009","0.009","754.7","0.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O4 S2 -","- C32 H36 N2 O4 S2 -","- C32 H36 N2 O4 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0528","0.0354","","","0.0763","0.0823","","","","","","0.919","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028050","5.3465","0.0003","20.9082","0.0013","25.018","0.0015","90","","90","","90","","2796.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O8 -","- C27 H39 N O8 -","- C108 H156 N4 O32 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.1233","0.0999","","0.2588","0.243","0.2588","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028051","10.3911","0.0003","9.1043","0.0002","13.9722","0.0004","90","","109.534","0.0011","90","","1245.74","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C52 H70 N2 O8 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","0.71073","MoKα","","0.0421","0.0352","","0.0873","0.08","0.0873","","","","","","0.9414","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028052","9.9357","0.0005","5.3382","0.0005","25.56","0.003","90","","90.009","0.007","90","","1355.7","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N5 O9 S -","- C23 H33 N5 O9 S -","- C46 H66 N10 O18 S2 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0996","0.0907","","0.2431","0.2365","0.2431","","","","","","1.0363","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028053","5.49231","0.00008","16.4313","0.0003","25.747","0.0004","90","","90","","90","","2323.56","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O7 -","- C23 H33 N O7 -","- C92 H132 N4 O28 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0333","0.0306","","0.0779","0.0748","0.0779","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028054","8.491","0.004","7.053","0.005","15.167","0.008","90","","99.67","0.01","90","","895.4","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Giordano Lesma; Roberto Cecchi; Alfredo Cagnotto; Marco Gobbi; Fiorella Meneghetti; Manuele Musolino; Alessandro Sacchetti; Alessandra Silvani","Tetrahydro-β-carboline-Based Spirocyclic Lactam as Type II' β-Turn: Application to the Synthesis and Biological Evaluation of Somatostatine Mimetics","Journal of Organic Chemistry","2013","78","","2600","2610","10.1021/jo302737j","","x-ray","0.71073","MoKα","","0.0636","0.0582","","","0.1514","0.1592","","","","","","1.061","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028055","10.885","0.0005","11.4534","0.0005","18.6129","0.0009","90","","90","","90","","2320.48","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B2 O2 P2 -","- C20 H40 B2 O2 P2 -","- C80 H160 B8 O8 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0797","0.0541","","","0.1191","0.1719","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028056","6.6655","0.0002","13.8497","0.0004","30.6661","0.001","90","","90","","90","","2830.95","0.15","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 B2 O4 P2 -","- C24 H48 B2 O4 P2 -","- C96 H192 B8 O16 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0535","0.0448","","","0.094","0.1085","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028057","10.5555","0.0006","16.2892","0.0009","19.6227","0.001","90","","90","","90","","3373.9","0.3","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 B2 O6 P2 -","- C28 H56 B2 O6 P2 -","- C112 H224 B8 O24 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0529","0.0412","","","0.0864","0.1107","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028058","11.3813","0.0006","14.2524","0.0008","17.1841","0.001","90","","90","","90","","2787.4","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Cl2 O4 P2 Pt -","- C24 H42 Cl2 O4 P2 Pt -","- C96 H168 Cl8 O16 P8 Pt4 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKa","","0.0416","0.0366","","","0.0713","0.0776","","","","","","1.05","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028059","11.102","0.003","13.823","0.003","21.704","0.006","78.067","0.009","83.121","0.009","69.937","0.008","3056.7","1.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H72 O -","- C84 H72 O -","- C168 H144 O2 -","2","1","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.1051","0.0636","","","0.1698","0.1993","","","","","","1.075","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028060","15.6315","0.0037","15.9006","0.0037","26.612","0.0063","91.09","0.015","105.275","0.015","111.548","0.014","5885","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C254.5 H293 Cl5 O0 Si12 -","- C254.5 H288 Cl5 Si12 -","- C254.5 H288 Cl5 Si12 -","1","0.5","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.2036","0.0924","","","0.2446","0.3041","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028061","55.846","0.012","6.9266","0.0014","44.338","0.01","90","","95.087","0.017","90","","17083","6","120","2","120","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C38 H32 -","- C38 H32 -","- C912 H768 -","24","6","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.2051","0.1536","","","0.4004","0.4437","","","","","","1.708","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028062","15.4016","0.0005","8.3054","0.0002","25.6869","0.0007","90","","99.922","0.001","90","","3236.63","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35.6 Cl0.4 O1.2 -","- C50 H34.4 Cl0.4 O1.2 -","- C200 H137.6 Cl1.6 O4.8 -","4","1","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.0834","0.063","","","0.1882","0.2124","","","","","","1.136","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028063","11.009","0.0003","9.033","0.0003","12.537","0.0004","90","","105.775","0.001","90","","1199.78","0.06","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H18 O7 -","- C10 H18 O7 -","- C40 H72 O28 -","4","1","","Himali Y. Godage; Andrew M. Riley; Timothy J. Woodman; Mark P. Thomas; Mary F. Mahon; Barry V. L. Potter","Regioselective Opening of myo-Inositol Orthoesters: Mechanism and Synthetic Utility","Journal of Organic Chemistry","2013","78","","2275","2288","10.1021/jo3027774","","","0.71073","MoKα","","0.056","0.0429","","","0.1104","0.1212","","","","","","1.049","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028064","9.5443","0.0006","10.3293","0.0005","13.6741","0.0008","93.636","0.004","98.925","0.005","113.086","0.005","1213.6","0.13","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br N O7 -","- C26 H28 Br N O7 -","- C52 H56 Br2 N2 O14 -","2","1","","Mehdi Ghandi; Ali-Tabatabaei Ghomi; Maciej Kubicki","Synthesis of Cyclopentadiene-Fused Chromanones via One-Pot Multicomponent Reactions","Journal of Organic Chemistry","2013","78","","2611","2616","10.1021/jo302790y","","","1.54178","CuKα","","0.0437","0.0428","","","0.1194","0.1204","","","","","","1.064","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028065","5.1732","0.0003","9.5105","0.0006","23.2668","0.0015","90","","90","","90","","1144.72","0.12","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4S,6R)-3-oxo-4-(2-pyrrolyl)-2,5-diazabicyclo[4.4.0]decane","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Elżbieta Wojaczyńska; Julia Bąkowicz; Mateusz Dorsz; Jacek Skarżewski","Monoimine Derived from trans-1,2-Diaminocyclohexane and Ethyl Glyoxylate: An Intermediate in Aza-Diels-Alder and Mannich Reactions","Journal of Organic Chemistry","2013","78","","2808","2811","10.1021/jo302820m","","","0.71073","MoKα","","0.0359","0.0319","","","0.0712","0.0735","","","","","","1.095","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028066","8.1475","0.0001","11.0267","0.0002","19.1568","0.0004","90","","90","","90","","1721.05","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl3 N O3 -","- C15 H18 Cl3 N O3 -","- C60 H72 Cl12 N4 O12 -","4","1","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0488","0.0419","","","0.1061","0.1119","","","","","","1.025","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028067","9.1205","0.0016","10.177","0.0017","39.051","0.007","90","","90","","90","","3624.7","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Cl N2 O4 -","- C16 H23 Cl N2 O4 -","- C128 H184 Cl8 N16 O32 -","8","2","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0672","0.0584","","","0.1465","0.1583","","","","","","1.059","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028068","10.2036","0.0018","14.265","0.0015","18.965","0.003","90","","97.125","0.011","90","","2739.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C112 H120 N16 O32 -","4","1","","Codruţa C. Paraschivescu; Mihaela Matache; Cristian Dobrotă; Alina Nicolescu; Cătălin Maxim; Călin Deleanu; Ileana C. Fărcăşanu; Niculina D. Hădade","Unexpected Formation of N-(1-(2-Aryl-hydrazono)isoindolin-2-yl)benzamides and Their Conversion into 1,2-(Bis-1,3,4-oxadiazol-2-yl)benzenes","Journal of Organic Chemistry","2013","78","","2670","2679","10.1021/jo400023z","","","0.5608","AgKα","","0.1374","0.0778","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028069","8.3104","0.0009","32.937","0.003","11.4746","0.0012","90","","110.755","0.004","90","","2937","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 Cl N3 O8 -","- C33 H28 Cl N3 O8 -","- C132 H112 Cl4 N12 O32 -","4","2","","Bing Zhou; Yaxi Yang; Jingjing Shi; Zhi Luo; Yuanchao Li","Synthesis of Six-Membered Spirocyclic Oxindoles with Five Consecutive Stereocenters in an Asymmetric Organocatalytic One-Pot Michael/Michael/Aldol Addition Sequence","Journal of Organic Chemistry","2013","78","","2897","2907","10.1021/jo302655u","","","0.71073","MoKα","","0.1542","0.1325","","","0.3514","0.3639","","","","","","1.447","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028070","9.5814","0.0002","6.9221","0.0002","12.0783","0.0003","90","","110.016","0.001","90","","752.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Robert D. Giacometti; Jan Duchek; Lukas Werner; Afeef S. Husni; Christopher R. McCurdy; Stephen J. Cutler; D. Phillip Cox; Tomas Hudlicky","Heteroatom Analogues of Hydrocodone: Synthesis and Biological Activity","Journal of Organic Chemistry","2013","78","","2914","2925","10.1021/jo3026753","","","1.54178","CuKα","","0.0307","0.0305","","","0.0852","0.0854","","","","","","1.068","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028071","8.1138","0.0012","13.118","0.002","15.489","0.003","81.523","0.007","81.844","0.007","73.917","0.006","1557.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H56 F12 Fe2 N4 O12 S4 -","- C58 H56 F12 Fe2 N4 O12 S4 -","- C58 H56 F12 Fe2 N4 O12 S4 -","1","0.5","","Yonghai Li; Guanxin Zhang; Ge Yang; Yunlong Guo; Chong'an Di; Xin Chen; Zitong Liu; Huiying Liu; Zhenzhen Xu; Wei Xu; Hongbing Fu; Deqing Zhang","Extended π-Conjugated Molecules Derived from Naphthalene Diimides toward Organic Emissive and Semiconducting Materials","Journal of Organic Chemistry","2013","78","","2926","2934","10.1021/jo302677k","","","0.71073","MoKα","","0.07","0.0606","","","0.1268","0.1327","","","","","","1.138","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028072","8.1567","0.001","10.7545","0.0013","12.9755","0.0016","109.98","0.002","103.478","0.002","97.274","0.002","1013.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C42 H44 N4 O16 -","2","1","","Laural A. Fisher; Natalee J. Smith; Joseph M. Fox","Chiral Cyclopropenyl Ketones: Reactive and Selective Diels-Alder Dienophiles","Journal of Organic Chemistry","2013","78","","3342","3348","10.1021/jo302683t","","","0.71073","MoKα","","0.0412","0.0385","","","0.1403","0.1483","","","","","","1.04","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028073","10.2995","0.0006","10.9546","0.0006","11.6942","0.0005","89.674","0.004","81.951","0.004","73.64","0.005","1252.74","0.12","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N7 O4 -","- C26 H29 N7 O4 -","- C52 H58 N14 O8 -","2","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0482","0.0373","","","0.0954","0.1035","","","","","","1.03","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028074","10.1554","0.0004","10.8156","0.0004","10.8847","0.0004","79.384","0.003","82.776","0.003","74.162","0.004","1126.86","0.08","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N6 O2 -","- C27 H22 N6 O2 -","- C54 H44 N12 O4 -","2","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0411","0.0345","","","0.0879","0.0931","","","","","","1","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028075","7.65041","0.00017","14.0243","0.0003","24.1551","0.0006","90","","91.567","0.002","90","","2590.67","0.1","393","2","393","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 I N6 O2 -","- C28 H25 I N6 O2 -","- C112 H100 I4 N24 O8 -","4","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0477","0.0431","","","0.1093","0.1138","","","","","","1.045","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028076","8.9185","0.0011","10.0484","0.0013","11.7694","0.0015","66.01","0.003","68.622","0.003","67.713","0.003","863.6","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C40 H40 O6 S -","- C40 H40 O6 S -","- C40 H40 O6 S -","1","1","","Olivier St-Jean; Michel Prévost; Yvan Guindon","Study of the Endocyclic versus Exocyclic C-O Bond Cleavage Pathways of α- and β-Methyl Furanosides","Journal of Organic Chemistry","2013","78","","2935","2946","10.1021/jo3027438","","","0.71073","MoKα","","0.0435","0.036","","","0.0724","0.0752","","","","","","1.03","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028077","6.1467","0.001","23.558","0.004","9.1819","0.0015","90","","107.636","0.002","90","","1267.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl4 N O4 S2 -","- C24 H21 Cl4 N O4 S2 -","- C48 H42 Cl8 N2 O8 S4 -","2","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0325","0.0285","","","0.0605","0.0619","","","","","","1.048","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028078","8.5719","0.0005","14.7555","0.0009","15.693","0.0009","90","","90","","90","","1984.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0257","0.0238","","","0.0619","0.063","","","","","","1.046","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028079","8.9037","0.0003","10.0646","0.0003","24.9129","0.0007","90","","90","","90","","2232.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl2 N O3 S2 -","- C22 H21 Cl2 N O3 S2 -","- C88 H84 Cl8 N4 O12 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0213","0.0205","","","0.052","0.0525","","","","","","1.058","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028080","8.2706","0.0004","11.4435","0.0005","16.388","0.0009","90","","90","","90","","1551.04","0.13","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(3aS,4aS,5R,8S,8aR,9R,9aS)-3a-allyl-9-hydroxy-2,2-dimethyl-4a,5,8,8a,9,9a- hexahydro-5,8-methanonaphtho[2,3-d][1,3]dioxol-4(3aH)-one","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Goverdhan Mehta; Nagi Reddy Modugu","Concise Approach to the Carbocyclic Core of the Naturally Occurring Sphingomyelinase Inhibitor Scyphostatin","Journal of Organic Chemistry","2013","78","","3367","3373","10.1021/jo3028196","","","0.71073","MoKa","","0.0398","0.0339","","","0.0762","0.0795","","","","","","1.079","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028081","28.465","0.014","16.248","0.003","23.16","0.03","90","","122.23","0.05","90","","9061","14","293","2","293","2","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","(1S*,2R*,4R*,8R*,9S*,10S*,11R*)-9-hydroxy-6,6-dimethyl-8-(prop-2-en-1-yl)- 5,7-dioxatetracyclo[9.2.1.0^2,10^.0^4,8^]tetradec-12-en-3-one","","- C17 H22 O4 -","- C17 H22 O4 -","- C408 H528 O96 -","24","3","","Goverdhan Mehta; Nagi Reddy Modugu","Concise Approach to the Carbocyclic Core of the Naturally Occurring Sphingomyelinase Inhibitor Scyphostatin","Journal of Organic Chemistry","2013","78","","3367","3373","10.1021/jo3028196","","","0.7107","MoKα","","0.2131","0.0948","","","0.2048","0.2776","","","","","","0.986","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028082","8.5453","0.0007","12.4572","0.0011","19.0765","0.0016","95.307","0.002","98.94","0.002","96.754","0.002","1979.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","2","","Lehao Huang; Qian Li; Chen Wang; Chenze Qi","Palladium(II)-Catalyzed Regioselective Arylation of Naphthylamides with Aryl Iodides Utilizing a Quinolinamide Bidentate System","Journal of Organic Chemistry","2013","78","","3030","3038","10.1021/jo400017v","","","0.71073","MoKα","","0.046","0.0376","","","0.1269","0.1495","","","","","","1.049","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028083","15.0385","0.0004","15.1515","0.0004","20.2535","0.0005","97.366","0.001","101.544","0.001","100.972","0.001","4372","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H56.5 N2 O4.25 S2 -","- C53 H56.5 N2 O4.25 S2 -","- C212 H226 N8 O17 S8 -","4","2","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","0.71073","MoKα","","0.0627","0.0416","","","0.1","0.112","","","","","","1.01","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028084","19.622","0.001","20.8987","0.0007","16.5571","0.001","90","","113.399","0.006","90","","6231.3","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 N2 O8 S2 -","- C74 H82 N2 O8 S2 -","- C296 H328 N8 O32 S8 -","4","1","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","1.54184","CuKα","","0.154","0.112","","","0.255","0.281","","","","","","1.11","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028085","20.9121","0.0006","13.3093","0.0003","24.3484","0.0006","90","","107.082","0.003","90","","6477.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H83 Cl3 N2 O8 S2 -","- C75 H83 Cl3 N2 O8 S2 -","- C300 H332 Cl12 N8 O32 S8 -","4","1","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","1.5418","CuKα","","0.119","0.0947","","","0.244","0.261","","","","","","1.08","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028086","9.4776","0.0006","10.8233","0.0007","19.093","0.002","90","","97.824","0.007","90","","1940.3","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Br N O4 S -","- C18 H24 Br N O4 S -","- C72 H96 Br4 N4 O16 S4 -","4","2","","Kimberly Geoghegan; Paul Evans","Double Reduction of Cyclic Aromatic Sulfonamides: Synthesis of (+)-Mesembrine and (+)-Mesembranol","Journal of Organic Chemistry","2013","78","","3410","3415","10.1021/jo4000306","","","0.71073","MoKα","","0.0583","0.0477","","","0.1127","0.1197","","","","","","1.053","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028087","11.441","0.0005","21.855","0.001","18.5306","0.0008","90","","126.626","0.003","90","","3718.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 O3 -","- C48 H40 N4 O3 -","- C192 H160 N16 O12 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0987","0.0874","","","0.2245","0.2324","","","","","","1.082","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028088","23.6921","0.0005","13.748","0.0003","25.7494","0.0008","90","","117.234","0.001","90","","7457.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H38.5 N4.5 O4 -","- C48.5 H38.5 N4.5 O4 -","- C388 H308 N36 O32 -","8","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0607","0.0516","","","0.1466","0.1551","","","","","","0.967","","","","has coordinates","271475","2021-12-16","11:44:13",""
"4028089","12.5921","0.0004","12.9701","0.0004","14.85","0.0005","111.992","0.001","96.561","0.001","97.727","0.001","2192.37","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H38 N4 O5 Zn -","- C47 H38 N4 O5 Zn -","- C94 H76 N8 O10 Zn2 -","2","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0645","0.0629","","","0.1734","0.1748","","","","","","0.968","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028090","9.4468","0.0002","13.2846","0.0003","30.4999","0.0007","90","","90","","90","","3827.64","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H40 N4 O4 -","- C47 H40 N4 O4 -","- C188 H160 N16 O16 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0876","0.0808","","","0.2144","0.2213","","","","","","0.945","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028091","20.5804","0.0004","9.537","0.0002","19.1964","0.0004","90","","91.8","0.001","90","","3765.92","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 N4 O4 -","- C47 H40 N4 O4 -","- C188 H160 N16 O16 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.097","0.0814","","","0.2308","0.2549","","","","","","0.894","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028092","20.332","0.0005","11.1841","0.0003","18.4019","0.0005","90","","109.587","0.001","90","","3942.36","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 N4 O3 -","- C49 H44 N4 O3 -","- C196 H176 N16 O12 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0904","0.0825","","","0.2563","0.2674","","","","","","1.037","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028093","29.031","0.002","6.2194","0.0003","13.9536","0.0007","90","","110.789","0.007","90","","2355.4","0.3","135","0.1","135","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25.5 H30 Cl N3 O4 -","- C25.5 H30 Cl N3 O4 -","- C102 H120 Cl4 N12 O16 -","4","1","","Liang Xia; Sheng Li; Ruijiao Chen; Kai Liu; Xiaochuan Chen","Catalytic Ugi-Type Condensation of α-Isocyanoacetamide and Chiral Cyclic Imine: Access to Asymmetric Construction of Several Heterocycles","Journal of Organic Chemistry","2013","78","","3120","3131","10.1021/jo4000702","","","0.7107","MoKα","","0.0526","0.037","","","0.0669","0.0705","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028094","7.559","0.006","19.638","0.015","12.109","0.01","90","","90","","90","","1798","2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu","Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction","Journal of Organic Chemistry","2013","78","","3132","3141","10.1021/jo400081q","","","0.71073","MoKα","","0.0371","0.0319","","","0.0729","0.0767","","","","","","1.054","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4028095","11.5257","0.0018","9.4236","0.0015","17.54","0.003","90","","107.883","0.002","90","","1813","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C84 H80 O12 S4 -","4","1","","Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu","Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction","Journal of Organic Chemistry","2013","78","","3132","3141","10.1021/jo400081q","","","0.71073","MoKα","","0.0573","0.0509","","","0.1521","0.165","","","","","","1.094","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028096","14.211","0.0007","8.2737","0.0003","19.509","0.001","90","","109.519","0.005","90","","2162","0.19","120","1","120","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","2","","Kavirayani R. Prasad; Phaneendra Gutala","Total Synthesis and Determination of the Absolute Configuration of 5,6-Dihydro-α-pyrone Natural Product Synargentolide B","Journal of Organic Chemistry","2013","78","","3313","3322","10.1021/jo400083v","","x-ray","0.71073","MoKα","","0.0677","0.0507","","","0.1065","0.119","","","","","","1.04","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028097","8.0198","0.0008","12.5842","0.0013","18.2924","0.0019","88.317","0.003","80.352","0.003","72.342","0.003","1733.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N2 O2 Si2 -","- C36 H48 N2 O2 Si2 -","- C72 H96 N4 O4 Si4 -","2","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1061","0.0645","","","0.1406","0.1656","","","","","","1.028","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028098","8.1824","0.0007","13.9297","0.0012","15.7861","0.0014","71.224","0.002","77.184","0.002","77.313","0.002","1639.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N2 O2 Si2 -","- C32 H46 N2 O2 Si2 -","- C64 H92 N4 O4 Si4 -","2","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0606","0.0483","","","0.1308","0.1403","","","","","","1.047","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028099","31.2074","0.0015","8.2678","0.0004","28.3232","0.0013","90","","107.021","0.001","90","","6987.8","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N2 O2 Si2 -","- C36 H48 N2 O2 Si2 -","- C288 H384 N16 O16 Si16 -","8","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0975","0.0556","","","0.1431","0.1651","","","","","","1.031","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028100","34.075","0.006","15.776","0.003","14.143","0.002","90","","100.877","0.004","90","","7466","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N2 O2 Si2 -","- C40 H50 N2 O2 Si2 -","- C320 H400 N16 O16 Si16 -","8","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0619","0.0453","","","0.121","0.1333","","","","","","1.034","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028101","8.4932","0.0012","17.857","0.003","25.874","0.004","87.374","0.004","81.836","0.004","78.822","0.004","3810","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N2 O2 Si2 -","- C40 H50 N2 O2 Si2 -","- C160 H200 N8 O8 Si8 -","4","2","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1447","0.1054","","","0.2381","0.2597","","","","","","1.115","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028102","32","0.005","7.9673","0.0011","34.764","0.004","90","","113.32","0.004","90","","8139","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N2 O2 Si2 -","- C44 H52 N2 O2 Si2 -","- C352 H416 N16 O16 Si16 -","8","2","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1337","0.0643","","","0.1467","0.177","","","","","","1.001","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028103","5.743","0.005","9.43","0.005","18.057","0.005","90.784","0.005","94.855","0.005","106.042","0.005","935.7","1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C44 H40 N8 -","2","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0589","0.0408","","","0.1261","0.1503","","","","","","1.021","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028104","6.149","0.005","7.323","0.005","40.953","0.005","90","0.005","90.751","0.005","90","0.005","1844","2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C88 H80 N16 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0795","0.0475","","","0.129","0.1608","","","","","","0.995","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028105","6.439","0.005","7.222","0.005","39.313","0.005","90","0.005","90.207","0.005","90","0.005","1828.1","1.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N5 -","- C21 H19 N5 -","- C84 H76 N20 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.1059","0.0725","","","0.1945","0.232","","","","","","1.172","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028106","12.286","0.005","13.694","0.005","15.58","0.005","90","0.005","110.838","0.005","90","0.005","2449.8","1.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N3 -","- C31 H25 N3 -","- C124 H100 N12 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0621","0.04","","","0.1253","0.1501","","","","","","1.014","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028107","9.0919","0.0003","12.6482","0.0004","11.9258","0.0004","90","","94.663","0.002","90","","1366.88","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0469","0.04","","","0.102","0.1136","","","","","","1.076","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028108","9.1148","0.0003","10.8578","0.0004","15.6645","0.0006","90","","106.397","0.002","90","","1487.21","0.09","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C70 H66 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0408","0.0359","","","0.0928","0.1028","","","","","","1.097","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028109","8.4185","0.0001","10.1636","0.0001","10.2129","0.0001","94.193","0.001","110.298","0.001","113.931","0.001","725.441","0.017","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C35 H33 N O4 S -","1","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0385","0.0351","","","0.0925","0.0981","","","","","","1.055","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028110","10.8387","0.001","12.1976","0.001","13.2644","0.0011","107.99","0.006","92.021","0.006","92.084","0.006","1664.8","0.3","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C76 H78 N2 O8 S2 -","2","2","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.1261","0.0897","","","0.2183","0.2476","","","","","","1.046","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028111","10.0149","0.0008","17.024","0.0013","17.8106","0.0011","90","","90","","90","","3036.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O4 S -","- C34 H37 N O4 S -","- C136 H148 N4 O16 S4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0525","0.0414","","","0.1005","0.1111","","","","","","1.09","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028112","13.044","0.0007","9.9527","0.0005","13.2043","0.0007","90","","114.231","0.002","90","","1563.2","0.14","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H39 N O4 S -","- C35 H39 N O4 S -","- C70 H78 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0801","0.0506","","","0.1118","0.1359","","","","","","1.07","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028113","15.6706","0.0004","11.6448","0.0003","18.6587","0.0004","90","","90","","90","","3404.86","0.14","103","2","103","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H45 N O5 S Si -","- C37 H45 N O5 S Si -","- C148 H180 N4 O20 S4 Si4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0627","0.0465","","","0.106","0.1261","","","","","","1.04","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028114","8.5258","0.0017","34.215","0.007","13.071","0.003","90","","107.06","0.03","90","","3645.2","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 N2 O20 -","- C80 H98 N2 O20 -","- C160 H196 N4 O40 -","2","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1102","0.096","","","0.1538","0.1594","","","","","","1.292","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028115","13.7223","0.0014","14.0686","0.0014","14.395","0.0014","102.491","0.002","101.542","0.002","108.119","0.002","2469.3","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H122 F12 N2 O22 P2 -","- C96 H122 F12 N2 O22 P2 -","- C96 H122 F12 N2 O22 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0959","0.0637","","","0.1683","0.1986","","","","","","1.019","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028116","14.418","0.002","15.829","0.003","15.956","0.003","88.52","0.008","83.827","0.008","65.386","0.004","3290.7","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H136 F24 N4 O20 P4 -","- C124 H136 F24 N4 O20 P4 -","- C124 H136 F24 N4 O20 P4 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0909","0.0764","","","0.1831","0.1924","","","","","","1.08","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028117","39.83","0.008","15.198","0.003","25.284","0.005","90","","108.23","0.03","90","","14537","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H144 F24 N4 O20 P4 -","- C128 H144 F24 N4 O20 P4 -","- C512 H576 F96 N16 O80 P16 -","4","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1569","0.1292","","","0.325","0.3404","","","","","","1.941","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028118","14.804","0.003","17.814","0.004","25.418","0.005","76.22","0.03","78.43","0.03","80.62","0.03","6331","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H141 F28 N7 O20 P4 -","- C130 H141 F28 N7 O20 P4 -","- C260 H282 F56 N14 O40 P8 -","2","1","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1152","0.0933","","","0.1798","0.1926","","","","","","1.174","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028119","11.819","0.004","15.066","0.005","15.443","0.005","104.587","0.003","98.719","0.003","110.301","0.004","2407.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H112 Cl2 F12 N2 O20 P2 -","- C100 H112 Cl2 F12 N2 O20 P2 -","- C100 H112 Cl2 F12 N2 O20 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1062","0.0845","","","0.1949","0.2113","","","","","","1.111","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028120","11.783","0.004","15.157","0.005","15.464","0.005","104.62","0.003","99.12","0.003","110.08","0.004","2416.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H112 Br2 F12 N2 O20 P2 -","- C100 H112 Br2 F12 N2 O20 P2 -","- C100 H112 Br2 F12 N2 O20 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0926","0.0763","","","0.1663","0.1773","","","","","","1.068","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028121","13.4033","0.0011","15.6426","0.0014","17.7463","0.0015","66.405","0.005","87.465","0.006","66.34","0.005","3092.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H134 F24 N10 O20 P4 -","- C112 H134 F24 N10 O20 P4 -","- C112 H134 F24 N10 O20 P4 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","1.54186","CuKα","","0.077","0.0642","","","0.1668","0.1747","","","","","","1.079","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028122","14.8","0.003","17.228","0.003","19.16","0.004","71.4","0.03","80.78","0.03","77.61","0.03","4500","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H114 F12 N2 O20 P2 -","- C96 H114 F12 N2 O20 P2 -","- C192 H228 F24 N4 O40 P4 -","2","1","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.2153","0.1713","","","0.3974","0.4345","","","","","","1.183","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028123","9.9911","0.0007","10.4994","0.0007","18.8049","0.0013","90","","90","","90","","1972.6","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br2 N2 O5 -","- C18 H18 Br2 N2 O5 -","- C72 H72 Br8 N8 O20 -","4","1","","Hyo-Jun Lee; Chang-Woo Cho","Cinchona-Based Primary Amine-Catalyzed Asymmetric Cascade Aza-Michael-Aldol Reactions of Enones with 2-(1H-Pyrrol-2-yl)-2-oxoacetates: Synthesis of Chiral Pyrrolizines with Multistereocenters","Journal of Organic Chemistry","2013","78","","3306","3312","10.1021/jo4001614","","","0.71073","MoKα","","0.0951","0.0415","","","0.0843","0.1268","","","","","","1.06","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028124","14.842","0.004","6.615","0.002","24.531","0.009","90","","90","","90","","2408.4","1.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","2","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.2255","0.0642","","","0.1037","0.144","","","","","","0.857","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028125","13.6637","0.0009","26.4984","0.0016","8.3392","0.0006","90","","90","","90","","3019.3","0.3","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","1","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.1703","0.0617","","","0.1335","0.1801","","","","","","0.927","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028126","12.269","0.004","12.814","0.004","11.38","0.003","90","","98.462","0.005","90","","1769.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N O3 -","- C20 H18 Cl N O3 -","- C80 H72 Cl4 N4 O12 -","4","1","","Xu Liu; Ning Zhang; Jiming Yang; Yongjiu Liang; Rui Zhang; Dewen Dong","Hydrogen Bond-Assisted 6π-Azaelectrocyclization of Penta-2,4-dienamides: Synthesis of Dihydropyridin-2(3H)-ones","Journal of Organic Chemistry","2013","78","","3323","3328","10.1021/jo4001959","","","0.71073","MoKα","","0.2018","0.0909","","","0.2448","0.3123","","","","","","1","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028127","22.857","0.001","7.33","0.001","23.337","0.001","90","","90","","90","","3909.9","0.6","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","2,9-dibutyl-3,8-dichloronaphtho[1,2-b:8,7-b']dithiophene","","- C22 H22 Cl2 S2 -","- C22 H22 Cl2 S2 -","- C176 H176 Cl16 S16 -","8","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","x-ray","1.54178","CuKα","","0.0751","0.0563","","","0.1627","0.1963","","","","","","1.061","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028128","6.946","0.001","7.72","0.001","9.057","0.001","90.861","0.006","89.656","0.006","98.724","0.005","479.99","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-1,6-dichloronaphtho[1,2-b:5,6-b']dithiophene","","- C11 H11 Cl S -","- C11 H11 Cl S -","- C22 H22 Cl2 S2 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","x-ray","1.54178","CuKα","","0.0313","0.0273","","","0.0716","0.0741","","","","","","1.081","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028129","5.291","0.001","7.714","0.001","12.239","0.001","99.618","0.007","94.426","0.007","102.384","0.008","477.73","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-3,8-dichloronaphtho[2,1-b:6,5-b']dithiophene","","- C11 H11 Cl S -","- C11 H11 Cl S -","- C22 H22 Cl2 S2 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0573","0.0406","","","0.097","0.1053","","","","","","1.046","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028130","9.525","0.001","11.52","0.001","13.591","0.001","81.463","0.004","87.681","0.005","84.909","0.005","1468.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,9-dibutyl-3,8-bis(4-methoxyphenyl)naphtho[1,2-b:8,7-b']dithiophene","","- C36 H36 O2 S2 -","- C36 H36 O2 S2 -","- C72 H72 O4 S4 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0772","0.0464","","","0.1061","0.1231","","","","","","1.032","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028131","10.689","0.001","14.404","0.001","19.076","0.001","98.344","0.003","90.87","0.003","91.061","0.003","2905","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-1,6-bis(4-methoxyphenyl)naphtho[1,2-b:5,6-b']dithiophene","","- C36 H36 O2 S2 -","- C36 H36 O2 S2 -","- C144 H144 O8 S8 -","4","2","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0757","0.0505","","","0.1198","0.136","","","","","","1.009","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028132","10.6882","0.0002","16.7476","0.0004","18.497","0.0013","90","","90","","90","","3311","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1284","0.0847","","","0.2094","0.2388","","","","","","1.843","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028133","11.9745","0.0004","7.6299","0.0003","18.3877","0.0012","90","","93.153","0.007","90","","1677.44","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1232","0.0797","","","0.1913","0.2391","","","","","","1.239","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028134","11.6836","0.0002","7.5379","0.0001","21.9834","0.0015","90","","99.688","0.007","90","","1908.46","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.0616","0.0478","","","0.1468","0.1735","","","","","","1.059","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028135","10.199","","22.476","","8.841","","90","","107.61","","90","","1931.67","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 N2 O3 -","- C20 H16 Br2 N2 O3 -","- C80 H64 Br8 N8 O12 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54178","CuKα","","0.0834","0.0639","","","0.1829","0.2189","","","","","","1.538","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028136","12.9118","0.0008","10.1696","0.0007","17.7957","0.0012","90","","92.797","0.001","90","","2333.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 O3 S -","- C27 H27 N3 O3 S -","- C108 H108 N12 O12 S4 -","4","1","","Andria M. Panagopoulos; Doug Steinman; Alexandra Goncharenko; Kyle Geary; Carlene Schleisman; Elizabeth Spaargaren; Matthias Zeller; Daniel P. Becker","Apparent Alkyl Transfer and Phenazine Formation via an Aryne Intermediate","Journal of Organic Chemistry","2013","78","","3532","3540","10.1021/jo302795w","","","0.71073","MoKα","","0.0527","0.0402","","","0.0988","0.1069","","","","","","1.042","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028137","13.439","0.003","10.26","0.002","13.653","0.003","90","","115.905","0.003","90","","1693.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N3 -","- C20 H20 Cl N3 -","- C80 H80 Cl4 N12 -","4","1","","Andria M. Panagopoulos; Doug Steinman; Alexandra Goncharenko; Kyle Geary; Carlene Schleisman; Elizabeth Spaargaren; Matthias Zeller; Daniel P. Becker","Apparent Alkyl Transfer and Phenazine Formation via an Aryne Intermediate","Journal of Organic Chemistry","2013","78","","3532","3540","10.1021/jo302795w","","","0.71073","MoKα","","0.1079","0.0586","","","0.1191","0.1383","","","","","","1.03","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028138","12.8268","0.0014","16.8384","0.0018","19.527","0.002","70.017","0.006","73.553","0.006","74.051","0.006","3726.5","0.7","160","2","160","2","","","","","","","","5","P -1","-P 1","2","CALIXARENE","","","- C82 H84 Cl6 N6 O4 -","- C82 H84 Cl6 N6 O4 -","- C164 H168 Cl12 N12 O8 -","2","1","","V. V. Sreenivasu Mummidivarapu; Vijaya Kumar Hinge; Khatija Tabbasum; Rajesh G. Gonnade; Chebrolu P. Rao","Triazole-Linked Anthracenyl-Appended Calix[4]arene Conjugate As Receptor for Co(II): Synthesis, Spectroscopy, Microscopy, and Computational Studies","Journal of Organic Chemistry","2013","78","","3570","3576","10.1021/jo400038x","","","0.71073","MoKα","","0.148","0.1034","","","0.2169","0.2368","","","","","","1.129","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028139","5.5387","0.0009","9.1358","0.0014","34.448","0.005","90","","90.723","0.002","90","","1742.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","","Thomas O. Painter; Jonathon R. Bunn; Frank J. Schoenen; Justin T. Douglas; Victor W. Day; Conrad Santini","Skeletal Diversification via Heteroatom Linkage Control: Preparation of Bicyclic and Spirocyclic Scaffolds from N-Substituted Homopropargyl Alcohols","Journal of Organic Chemistry","2013","78","","3720","3730","10.1021/jo400077m","","","1.54178","CuKα","","0.0344","0.0343","","","0.0845","0.0845","","","","","","1.034","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028140","8.3288","0.0017","9.3506","0.0019","33.517","0.007","90","","90","","90","","2610.3","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F4 N3 O8 P S -","- C23 H28 F4 N3 O8 P S -","- C92 H112 F16 N12 O32 P4 S4 -","4","1","","Jonathan T. Reeves; Daniel R. Fandrick; Zhulin Tan; Jinhua J. Song; Sonia Rodriguez; Bo Qu; Soojin Kim; Oliver Niemeier; Zhibin Li; Denis Byrne; Scot Campbell; Ashish Chitroda; Phil DeCroos; Thomas Fachinger; Victor Fuchs; Nina C. Gonnella; Nelu Grinberg; Nizar Haddad; Burkhard Jäger; Heewon Lee; Jon C. Lorenz; Shengli Ma; Bikshandarkoil A. Narayanan; Larry J. Nummy; Ajith Premasiri; Frank Roschangar; Max Sarvestani; Sherry Shen; Earl Spinelli; Xiufeng Sun; Richard J. Varsolona; Nathan Yee; Michael Brenner; Chris H. Senanayake","Development of a Large Scale Asymmetric Synthesis of the Glucocorticoid Agonist BI 653048 BS H3PO4","Journal of Organic Chemistry","2013","78","","3616","3635","10.1021/jo400079z","","","1.54178","CuKα","","0.0358","0.0343","","","0.0802","0.0816","","","","","","1.107","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028141","7.2117","0.001","10.159","0.0015","16.885","0.002","90","","90","","90","","1237.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0314","0.0297","","","0.0839","0.0852","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028142","12.793","0.002","7.5861","0.001","12.616","0.002","90","","94.795","0.005","90","","1220.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0519","0.0413","","","0.1059","0.1122","","","","","","1.044","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028143","8.8087","0.0009","9.1805","0.001","16.007","0.002","90","","102.879","0.005","90","","1261.9","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0482","0.0401","","","0.1138","0.1208","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028144","11.0615","0.0015","8.4714","0.001","13.82","0.002","90","","108.144","0.005","90","","1230.6","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0476","0.0386","","","0.113","0.12","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028145","8.774","0.001","8.8629","0.001","16.001","0.002","90","","94.81","0.005","90","","1239.9","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0464","0.0392","","","0.1137","0.1203","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028146","17.454","0.005","5.917","0.002","13.841","0.005","90","","90","","90","","1429.4","0.8","90","0.5","90","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0418","0.0376","","","0.0932","0.0963","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028147","16.783","0.002","16.484","0.003","8.9999","0.001","90","","90","","90","","2489.8","0.6","90","0.5","90","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0359","0.0308","","","0.0777","0.0806","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028148","14.187","0.004","7.762","0.002","22.998","0.006","90","","103.422","0.015","90","","2463.4","1.1","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.077","0.056","","","0.1411","0.154","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028149","8.8582","0.0016","8.4797","0.0015","32.907","0.006","90","","90.782","0.003","90","","2471.6","0.8","180","0.5","180","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.1094","0.0505","","","0.0944","0.1144","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028150","8.0955","0.001","5.7255","0.0006","14.7233","0.0015","90","","90.723","0.005","90","","682.38","0.13","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0344","0.0327","","","0.0909","0.0934","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028151","6.063","0.002","25.888","0.009","23.133","0.007","90","","95.663","0.01","90","","3613","2","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C156 H180 N12 O24 -","12","3","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","1.54184","CuKα","","0.1132","0.0528","","","0.097","0.1171","","","","","","0.992","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028152","14.9885","0.0005","7.1279","0.0002","16.1273","0.0005","90","","96.305","0.002","90","","1712.56","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F2 N O6 P -","- C15 H18 F2 N O6 P -","- C60 H72 F8 N4 O24 P4 -","4","1","","Romana Pajkert; Gerd-Volker Röschenthaler","Synthesis of (α,α-Difluoropropargyl)phosphonates via Aldehyde-to-Alkyne Homologation","Journal of Organic Chemistry","2013","78","","3697","3708","10.1021/jo400198a","","","0.71073","MoKα","","0.0466","0.0381","","","0.1018","0.1081","","","","","","1.021","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028153","19.4022","0.0008","8.942","0.0004","14.2378","0.0006","90","","93.347","0.001","90","","2465.97","0.18","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H31 N O3 S Si -","- C26 H31 N O3 S Si -","- C104 H124 N4 O12 S4 Si4 -","4","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.1345","0.134","","","0.3943","0.3947","","","","","","4.123","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028154","20.059","0.0005","34.2353","0.0008","9.2333","0.0002","90","","90","","90","","6340.7","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C272 H304 N16 O48 S16 -","16","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.0394","0.0379","","","0.0948","0.0967","","","","","","1.104","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028155","23.8895","0.0015","9.8805","0.0006","30.8596","0.0019","90","","90","","90","","7284.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N O -","- C25 H19 N O -","- C400 H304 N16 O16 -","16","2","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0366","0.0307","","","0.0771","0.0818","","","","","","1.03","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028156","12.5171","0.0003","9.7324","0.0002","17.7685","0.0004","90","","101.031","0.001","90","","2124.59","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0316","0.0297","","","0.0738","0.0752","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028157","8.106","0.0002","5.947","0.0002","19.389","0.0005","90","","101.38","0.001","90","","916.3","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0275","0.0272","","","0.0725","0.0728","","","","","","1.057","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028158","9.7537","0.0003","9.8726","0.0003","11.2156","0.0003","74.131","0.001","81.614","0.001","61.63","0.002","913.91","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O -","- C26 H21 N O -","- C52 H42 N2 O2 -","2","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0666","0.0592","","","0.1776","0.1828","","","","","","1.135","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028159","7.5759","0.0003","6.6953","0.0003","19.3769","0.001","90","","96.532","0.005","90","","976.47","0.08","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","0.5","","Joanna V. Geden; Alpa K. Pancholi; Michael Shipman","Palladium-Catalyzed Multicomponent Synthesis of 2-Aryl-2-imidazolines from Aryl Halides and Diamines","Journal of Organic Chemistry","2013","78","","4158","4164","10.1021/jo400252n","","","0.71073","MoKα","","0.0786","0.064","","","0.1586","0.1701","","","","","","1.105","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028160","6.9339","0.0007","7.4506","0.0007","12.9466","0.0013","90","","90.3446","0.0013","90","","668.83","0.11","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","","Fumiya Urabe; Shunsuke Nagashima; Keisuke Takahashi; Jun Ishihara; Susumi Hatakeyama","Total Synthesis of (-)-Cinatrin C1 Based on an In(OTf)3-Catalyzed Conia-Ene Reaction","Journal of Organic Chemistry","2013","78","","3847","3857","10.1021/jo400263w","","","0.7107","MoKα","","","0.0346","","","","0.0871","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028161","13.0314","0.0003","19.7442","0.0006","13.2272","0.0003","90","","116.922","0.001","90","","3034.45","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H86 O10 S Si8 -","- C36 H86 O10 S Si8 -","- C72 H172 O20 S2 Si16 -","2","1","","Xiaojun Zeng; Raymond Smith; Xiangming Zhu","Synthesis of Thioglycoside Analogues of Maradolipid","Journal of Organic Chemistry","2013","78","","4165","4170","10.1021/jo400274s","","","0.71073","MoKα","","0.1575","0.099","","","0.2428","0.2589","","","","","","1.682","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028162","11.5576","0.0003","7.9815","0.0002","20.4407","0.0004","90","","105.625","0.002","90","","1815.91","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","4-Diethoxyphosphinyl-5-trifluoromethyl-1- (4-nitrophenyl)pyrrolidin-2-one","","- C15 H18 F3 N2 O6 P -","- C15 H18 F3 N2 O6 P -","- C60 H72 F12 N8 O24 P4 -","4","1","","Concepción Alonso; María González; María Fuertes; Gloria Rubiales; Jose María Ezpeleta; Francisco Palacios","Synthesis of Fluorinated β-Aminophosphonates and γ-Lactams","Journal of Organic Chemistry","2013","78","","3858","3866","10.1021/jo400281e","","x-ray","1.54184","CuKα","","0.0371","0.0301","","","0.0796","0.0855","","","","","","1.019","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028163","11.6857","0.0006","9.9337","0.0004","18.5976","0.0012","90","","90.895","0.006","90","","2158.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 3-diethoxyphosphinyl-5,5,5-trifluoro-4- (4-tolylamino)pentanoate","","- C18 H27 F3 N O5 P -","- C18 H27 F3 N O5 P -","- C72 H108 F12 N4 O20 P4 -","4","1","","Concepción Alonso; María González; María Fuertes; Gloria Rubiales; Jose María Ezpeleta; Francisco Palacios","Synthesis of Fluorinated β-Aminophosphonates and γ-Lactams","Journal of Organic Chemistry","2013","78","","3858","3866","10.1021/jo400281e","","","1.54184","CuKα","","0.0397","0.0362","","","0.094","0.0965","","","","","","1.038","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028164","9.493","0.005","13.546","0.005","30.223","0.005","90","","95.322","0.005","90","","3870","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C176 H168 N8 O32 S8 -","8","2","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0788","0.0539","","","0.1336","0.1735","","","","","","1.095","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028165","12.504","0.005","11.315","0.005","13.623","0.005","90","0.005","105.513","0.005","90","0.005","1857.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl F N2 O2 S -","- C21 H18 Cl F N2 O2 S -","- C84 H72 Cl4 F4 N8 O8 S4 -","4","1","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0921","0.0593","","","0.1549","0.2129","","","","","","1.17","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028166","8.161","0.005","9.101","0.005","25.376","0.005","90","0.005","90.125","0.005","90","0.005","1884.8","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S2 -","- C22 H21 N O2 S2 -","- C88 H84 N4 O8 S8 -","4","1","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0591","0.049","","","0.1268","0.1362","","","","","","1.057","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028167","9.679","0.006","9.166","0.005","16.543","0.01","90","","98.455","0.015","90","","1451.7","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","1.54178","CuKα","","0.0875","0.0766","","","0.1993","0.23","","","","","","0.954","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028168","28.023","0.013","5.984","0.003","18.353","0.009","90","","122.001","0.009","90","","2610","2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","1.54187","CuKα","","","0.065","","","","0.1676","","","","","","1.083","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028169","5.954","0.017","8.03","0.03","15.54","0.04","90","","96.65","0.04","90","","738","4","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C32 H28 Br2 N2 O4 -","2","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.055","","","","0.1175","","","","","","0.927","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028170","6.379","0.002","13.342","0.005","15.871","0.005","90","","90","","90","","1350.8","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.0453","","","","0.1088","","","","","","1.039","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028171","6.054","0.0013","15.744","0.003","18.136","0.004","90","","90","","90","","1728.6","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S -","- C19 H23 N O S -","- C76 H92 N4 O4 S4 -","4","1","","Suresh Pindi; Jianbin Wu; Guigen Li","Design, Synthesis, and Applications of Chiral N-2-Phenyl-2-propyl Sulfinyl Imines for Group-Assisted Purification (GAP) Asymmetric Synthesis","Journal of Organic Chemistry","2013","78","","4006","4012","10.1021/jo400354r","","","0.71073","MoKα","","0.0462","0.0344","","","0.0742","0.0804","","","","","","1.018","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028172","6.7751","0.0013","7.1451","0.0013","8.7889","0.0016","76.749","0.002","76.821","0.002","83.472","0.003","402.38","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C16 H18 N6 O2 -","2","1","","Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien","Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents","Journal of Organic Chemistry","2013","78","","4027","4036","10.1021/jo400364p","","","0.71073","MoKα","","0.1242","0.1088","","","0.3069","0.3292","","","","","","1.248","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028173","8.0425","0.0012","11.1181","0.0018","16.194","0.002","90","","90","","90","","1448","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O6 -","- C13 H20 N2 O6 -","- C52 H80 N8 O24 -","4","1","","Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien","Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents","Journal of Organic Chemistry","2013","78","","4027","4036","10.1021/jo400364p","","","0.71073","MoKα","","0.0369","0.0336","","","0.0911","0.0934","","","","","","1.085","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028174","7.342","0.0007","6.2293","0.0006","19.9999","0.0014","90","","99.698","0.006","90","","901.63","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 F3 N2 O2 -","- C9 H5 F3 N2 O2 -","- C36 H20 F12 N8 O8 -","4","1","","Robert S. Foster; Harry Adams; Harald Jakobi; Joseph P. A. Harrity","Synthesis of 4-Fluoromethylsydnones and their Participation in Alkyne Cycloaddition Reactions","Journal of Organic Chemistry","2013","78","","4049","4064","10.1021/jo400381a","","","0.71073","MoKα","","0.0566","0.042","","","0.1231","0.1551","","","","","","1.12","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028175","7.0878","0.0007","6.147","0.0006","19.9237","0.0019","90","","98.92","0.005","90","","857.55","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 N2 O2 -","- C9 H6 F2 N2 O2 -","- C36 H24 F8 N8 O8 -","4","1","","Robert S. Foster; Harry Adams; Harald Jakobi; Joseph P. A. Harrity","Synthesis of 4-Fluoromethylsydnones and their Participation in Alkyne Cycloaddition Reactions","Journal of Organic Chemistry","2013","78","","4049","4064","10.1021/jo400381a","","","0.71073","MoKα","","0.0428","0.0376","","","0.1085","0.1136","","","","","","1.077","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028176","9.65","0.005","12.429","0.007","14.078","0.007","90","","90","","90","","1688.5","1.5","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C72 H80 Br4 N4 O4 -","4","1","","Jérémie Mandel; Xiaohong Pan; E. Ben Hay; Steven J. Geib; Craig S. Wilcox; Dennis P. Curran","Rotational Isomers of N-Methyl-N-arylacetamides and Their Derived Enolates: Implications for Asymmetric Hartwig Oxindole Cyclizations","Journal of Organic Chemistry","2013","78","","4083","4089","10.1021/jo400385t","","","0.71073","MoKα","","0.1126","0.0515","","","0.1301","0.1637","","","","","","0.944","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028177","13.4116","0.0004","9.9944","0.0003","19.195","0.0006","90","","93.348","0.002","90","","2568.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O6 S -","- C28 H25 N O6 S -","- C112 H100 N4 O24 S4 -","4","1","","Xiaoyi Xin; Dongping Wang; Fan Wu; Xincheng Li; Boshun Wan","Cyclization and N-Iodosuccinimide-Induced Electrophilic Iodocyclization of 3-Aza-1,5-enynes To Synthesize 1,2-Dihydropyridines and 3-Iodo-1,2-dihydropyridines","Journal of Organic Chemistry","2013","78","","4065","4074","10.1021/jo400387b","","","0.71073","MoKα","","0.0927","0.0768","","","0.2145","0.2297","","","","","","1.093","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028178","9.6086","0.0004","11.3986","0.0005","14.7124","0.0006","89.194","0.003","83.704","0.003","73.888","0.003","1538.51","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 I N O6 S -","- C28 H24 I N O6 S -","- C56 H48 I2 N2 O12 S2 -","2","2","","Xiaoyi Xin; Dongping Wang; Fan Wu; Xincheng Li; Boshun Wan","Cyclization and N-Iodosuccinimide-Induced Electrophilic Iodocyclization of 3-Aza-1,5-enynes To Synthesize 1,2-Dihydropyridines and 3-Iodo-1,2-dihydropyridines","Journal of Organic Chemistry","2013","78","","4065","4074","10.1021/jo400387b","","","0.71073","MoKα","","0.0698","0.0509","","","0.1646","0.1811","","","","","","1.059","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028179","8.379","0.0001","9.797","0.0001","12.862","0.0002","90","","90","","90","","1055.83","0.02","123","1","123","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Kathrin Ulbrich; Peter Kreitmeier; Tirayut Vilaivan; Oliver Reiser","Enantioselective Synthesis of 4-Heterosubstituted Cyclopentenones","Journal of Organic Chemistry","2013","78","","4202","4206","10.1021/jo400409f","","x-ray","1.54178","CuKα","","0.0325","0.032","","","0.0829","0.0837","","","","","","1.051","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028180","8.2414","0.0002","9.3417","0.0003","9.8011","0.0008","94.71","0.006","114.659","0.004","105.507","0.005","644.44","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 I O3 -","- C14 H13 I O3 -","- C28 H26 I2 O6 -","2","2","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.017","0.0163","","0.0387","0.0374","0.0374","","","","","","1.0585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028181","11.4401","0.0004","17.2638","0.0006","20.1815","0.0014","103.013","0.007","106.063","0.008","108.802","0.008","3402.5","0.5","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C17.25 H21 I O3.75 -","- C17.25 H21 I O3.75 -","- C138 H168 I8 O30 -","8","4","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.0502","0.041","","0.0961","0.0874","0.0961","","","","","","0.9749","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028182","10.1587","0.0004","17.6882","0.001","20.1886","0.0014","90","","90.879","0.006","90","","3627.2","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C168 H132 I12 O24 -","12","3","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.044","0.0363","","0.0572","0.0544","0.0572","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028183","11.6678","0.0014","11.6678","0.0014","9.4235","0.0006","90","","90","","120","","1111","0.2","123","","123","","","","","","","","","4","P 31","P 31","144","","","","- C16 H15 I O2 -","- C16 H15 I O2 -","- C48 H45 I3 O6 -","3","1","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.0876","0.0446","","0.0921","0.068","0.0921","","","","","","0.9816","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028184","7.829","0.001","15.32","0.002","15.181","0.002","90","","90.62","0.02","90","","1820.7","0.4","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 O3 -","- C8 H7 F3 O3 -","- C64 H56 F24 O24 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0674","0.0321","","","0.0782","0.0852","","","","","","0.627","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028185","12.796","0.003","8.726","0.001","25.901","0.004","90","","94.74","0.04","90","","2882.2","0.9","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F3 O4 -","- C14 H15 F3 O4 -","- C112 H120 F24 O32 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0785","0.0522","","","0.1506","0.1608","","","","","","0.959","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028186","35.009","0.003","8.927","0.0009","11.884","0.0012","90","","97.76","0.02","90","","3680","0.6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl F3 O4 -","- C19 H13 Cl F3 O4 -","- C152 H104 Cl8 F24 O32 -","8","1","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0562","0.0448","","","0.1271","0.1322","","","","","","0.987","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028187","14.4108","0.0014","30.084","0.003","8.6468","0.0008","90","","91.909","0.005","90","","3746.6","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 O8 -","- C16 H14 F6 O8 -","- C128 H112 F48 O64 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0534","0.0485","","","0.1272","0.1313","","","","","","1.047","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028188","7.14","0.0006","13.023","0.001","19.251","0.001","82.6","0.01","81.95","0.01","83.43","0.01","1749.2","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl F3 O4 -","- C18 H14 Cl F3 O4 -","- C72 H56 Cl4 F12 O16 -","4","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0651","0.0344","","","0.074","0.0788","","","","","","0.766","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4028189","5.3049","0.0017","12.08","0.004","17.045","0.005","90","","94.079","0.004","90","","1089.5","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O S2 -","- C23 H21 F2 N O S2 -","- C46 H42 F4 N2 O2 S4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0601","0.0428","","","0.0812","0.0898","","","","","","1.047","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028190","5.162","0.003","8.413","0.005","37.3","0.02","90","","90","","90","","1619.9","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N O2 -","- C17 H16 F3 N O2 -","- C68 H64 F12 N4 O8 -","4","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.11","0.0816","","","0.2457","0.2744","","","","","","1.105","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028191","8.247","0.003","5.0946","0.0016","14.235","0.005","90","","100.136","0.004","90","","588.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 F3 N O2 -","- C11 H12 F3 N O2 -","- C22 H24 F6 N2 O4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0741","0.0554","","","0.1429","0.1598","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028192","15.761","0.003","12.379","0.002","12.96","0.003","90","","102.904","0.004","90","","2464.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl N2 O5 -","- C27 H21 Cl N2 O5 -","- C108 H84 Cl4 N8 O20 -","4","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.0885","0.0529","","","0.1321","0.1478","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028193","10.0187","0.0015","11.4254","0.0016","13.785","0.003","105.439","0.004","93.916","0.004","115.678","0.003","1339.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Cl N2 O6 -","- C27 H19 Cl N2 O6 -","- C54 H38 Cl2 N4 O12 -","2","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.1081","0.0898","","","0.2906","0.3259","","","","","","0.902","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028194","8.6536","0.0008","11.2113","0.001","23.211","0.002","90","","90","","90","","2251.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.0724","0.0453","","","0.1129","0.1297","","","","","","0.984","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028195","6.5595","0.0001","13.8801","0.0003","15.4276","0.0003","90","","90","","90","","1404.63","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","meropenem","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Xun Ji; Yu Zhou; Jinfang Wang; Linxiang Zhao; Hualiang Jiang; Hong Liu","Au(I)/Ag(I)-Catalyzed Cascade Approach for the Synthesis of Benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinones","Journal of Organic Chemistry","2013","78","","4312","4318","10.1021/jo400228g","","","0.71073","MoKα","","0.0379","0.0335","","","0.0774","0.0793","","","","","","1.351","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028196","10.01","0.003","10.641","0.005","10.743","0.003","83.155","0.007","75.634","0.005","62.657","0.004","984.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C52 H40 N4 O2 -","2","1","","Na An; Bo-Xue Tian; Hong-Jun Pi; Leif A. Eriksson; Wei-Ping Deng","Mechanistic Insight into Self-Propagation of Organo-Mediated Beckmann Rearrangement: A Combined Experimental and Computational Study","Journal of Organic Chemistry","2013","78","","4297","4302","10.1021/jo400278c","","","0.71073","MoKα","","0.1215","0.0691","","","0.1679","0.189","","","","","","0.869","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028197","10.922","0.003","20.287","0.006","9.3","0.003","90","","97.478","0.004","90","","2043.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","","Na An; Bo-Xue Tian; Hong-Jun Pi; Leif A. Eriksson; Wei-Ping Deng","Mechanistic Insight into Self-Propagation of Organo-Mediated Beckmann Rearrangement: A Combined Experimental and Computational Study","Journal of Organic Chemistry","2013","78","","4297","4302","10.1021/jo400278c","","","0.71073","MoKα","","0.0733","0.0376","","","0.0802","0.0908","","","","","","0.811","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028198","7.6866","0.0005","18.4249","0.0011","13.3065","0.0008","90","","96.761","0.003","90","","1871.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O3 -","- C20 H27 N3 O3 -","- C80 H108 N12 O12 -","4","1","","Jhonny Azuaje; Abdelaziz El Maatougui; José M. Pérez-Rubio; Alberto Coelho; Franco Fernández; Eddy Sotelo","Multicomponent Assembly of Diverse Pyrazin-2(1H)-one Chemotypes","Journal of Organic Chemistry","2013","78","","4402","4409","10.1021/jo4003163","","x-ray","0.7107","MoKα","","0.0503","0.0381","","","0.0829","0.0885","","","","","","1.032","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028199","16.5731","0.0004","6.5305","0.0002","31.5251","0.0008","90","","94.15","0.002","90","","3403.04","0.16","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","4","","Mukulesh Mondal; Han-Jen Ho; Nicholas J. Peraino; Melanie A. Gary; Kraig A. Wheeler; Nessan J. Kerrigan","Diastereoselective Reaction of Sulfoxonium Ylides, Aldehydes and Ketenes: An Approach to trans-γ-Lactones","Journal of Organic Chemistry","2013","78","","4587","4593","10.1021/jo4003213","","","1.54178","CuKα","","0.104","0.0692","","","0.1561","0.175","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028200","7.9199","0.0006","22.3821","0.0018","15.455","0.0012","90","","102.289","0.001","90","","2676.8","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 N2 O2 S Si -","- C25 H40 N2 O2 S Si -","- C100 H160 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0448","0.0384","","","0.1292","0.1381","","","","","","1.123","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028201","13.1622","0.0012","14.1592","0.0012","15.1685","0.0014","90","","90","","90","","2826.9","0.4","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O2 S Si -","- C27 H44 N2 O2 S Si -","- C108 H176 N8 O8 S4 Si4 -","4","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.031","0.0293","","","0.0942","0.0976","","","","","","0.86","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028202","15.241","0.0011","12.5664","0.001","16.0205","0.0012","90","","114.207","0.001","90","","2798.5","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O2 S Si -","- C30 H34 N2 O2 S Si -","- C120 H136 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0403","0.034","","","0.1061","0.1169","","","","","","0.811","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028203","24.381","0.006","7.698","0.002","15.28","0.004","90","","96.687","0.004","90","","2848.3","1.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N2 O2 S Si -","- C28 H44 N2 O2 S Si -","- C112 H176 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.1094","0.0708","","","0.1776","0.21","","","","","","1.316","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028204","8.1578","0.0008","9.771","0.001","11.2573","0.0011","99.109","0.001","94.865","0.001","97.709","0.001","872.82","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C38 H48 N4 O4 S2 -","2","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0416","0.0382","","","0.1394","0.1439","","","","","","1.217","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028205","11.6475","0.0011","18.532","0.0018","23.269","0.002","90","","92.298","0.001","90","","5018.6","0.8","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O5 S2 Si2 -","- C23 H36 N2 O2 S Si -","- C184 H288 N16 O16 S8 Si8 -","8","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.1073","0.0513","","","0.1357","0.1792","","","","","","0.928","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028206","12.3322","0.0011","15.5794","0.0014","15.9936","0.0014","114.611","0.001","106.319","0.001","98.457","0.001","2555.4","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H38 N2 O2 S Si -","- C25 H38 N2 O2 S Si -","- C100 H152 N8 O8 S4 Si4 -","4","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0836","0.0505","","","0.132","0.1662","","","","","","0.966","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028207","11.5254","0.0003","11.2153","0.0003","12.6004","0.0004","90","","101.352","0.001","90","","1596.87","0.08","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F N3 O2 -","- C19 H13 B F N3 O2 -","- C76 H52 B4 F4 N12 O8 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.71073","MoKα","","0.0706","0.0564","","","0.1276","0.138","","","","","","1.091","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028208","7.647","0.006","21.859","0.015","11.074","0.01","90","","94.778","0.011","90","","1845","3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 B F N3 O4 -","- C21 H17 B F N3 O4 -","- C84 H68 B4 F4 N12 O16 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0485","0.036","","","0.1169","0.1584","","","","","","1.179","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028209","9.698","0.009","21.38","0.04","10.808","0.014","90","","104.7","0.04","90","","2168","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B N5 -","- C27 H24 B N5 -","- C108 H96 B4 N20 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0577","0.0442","","","0.1247","0.1525","","","","","","1.206","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028210","21.589","0.003","21.589","0.003","26.933","0.003","90","","90","","120","","10871","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25 H34 B N5 O -","- C25 H34 B N5 O -","- C450 H612 B18 N90 O18 -","18","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0656","0.0576","","","0.1306","0.1358","","","","","","1.107","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028211","8.448","0.001","11.579","0.003","14.093","0.004","94.74","0.01","102.62","0.02","90.301","0.007","1340.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C29 H25 B F2 O6 -","- C29 H25 B F2 O6 -","- C58 H50 B2 F4 O12 -","2","1","","Abdellah Felouat; Anthony D'Aléo; Fredéric Fages","Synthesis and Photophysical Properties of Difluoroboron Complexes of Curcuminoid Derivatives Bearing Different Terminal Aromatic Units and a meso-Aryl Ring","Journal of Organic Chemistry","2013","78","","4446","4455","10.1021/jo400389h","","x-ray","0.71073","MoKα","","0.1687","0.0831","","","0.2305","0.309","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028212","10.5885","0.0007","12.0366","0.0005","16.3904","0.001","90","","96.405","0.006","90","","2075.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C96 H84 Br4 N8 O4 -","4","1","","Akhilesh K. Verma; Siva K. Reddy Kotla; Deepak Choudhary; Monika Patel; Rakesh K. Tiwari","Silver-Catalyzed Tandem Synthesis of Naphthyridines and Thienopyridines via Three-Component Reaction","Journal of Organic Chemistry","2013","78","","4386","4401","10.1021/jo400400c","","","0.71073","MoKα","","0.1038","0.0585","","","0.1428","0.1657","","","","","","0.999","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028213","9.822","0.002","9.849","0.002","10.995","0.003","95.962","0.004","112.616","0.004","106.985","0.004","910.4","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","1","1","","Ken S. Feldman; Brandon R. Selfridge","Synthesis Studies on the Lomaiviticin A Aglycone Core: Development of a Divergent, Two-Directional Strategy","Journal of Organic Chemistry","2013","78","","4499","4511","10.1021/jo4005074","","","0.71073","MoKα","","0.0438","0.0407","","","0.1067","0.1099","","","","","","1.027","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028214","13.13","0.005","8.462","0.002","18.001","0.004","90","","94.05","0.016","90","","1995","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Ken S. Feldman; Brandon R. Selfridge","Synthesis Studies on the Lomaiviticin A Aglycone Core: Development of a Divergent, Two-Directional Strategy","Journal of Organic Chemistry","2013","78","","4499","4511","10.1021/jo4005074","","","0.71073","MoKα","","0.0801","0.0588","","","0.1507","0.1656","","","","","","1.012","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028215","21.5297","0.0004","12.2669","0.0003","18.5384","0.0004","90","","95.2","0.001","90","","4875.89","0.18","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N4 O15 P2 -","- C46 H36 N4 O12 P2 -","- C184 H144 N16 O48 P8 -","4","1","","Tyler T. Adint; Gene W. Wong; Clark R. Landis","Libraries of Bisdiazaphospholanes and Optimization of Rhodium-Catalyzed Enantioselective Hydroformylation","Journal of Organic Chemistry","2013","78","","4231","4238","10.1021/jo400525w","","","1.54178","Cu-Kα","","0.0531","0.0512","","","0.1375","0.1392","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028216","8.1744","0.0014","8.2642","0.0014","11.2317","0.0019","87.925","0.002","77.109","0.002","80.284","0.002","729","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","","Hilan Z. Kaplan; Victor L. Rendina; Jason S. Kingsbury","Diastereoselective Synthesis of Complex cis-Hexahydroindanes by Reductive Alkylation","Journal of Organic Chemistry","2013","78","","4620","4626","10.1021/jo400670y","","","0.71073","MoKα","","0.0538","0.0459","","","0.1143","0.1199","","","","","","1.03","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028217","15.099","0.003","9.3135","0.0014","18.43","0.002","90","","90","","90","","2591.7","0.7","190","","190","","","","101","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 F O6 P S -","- C26 H28 F O6 P S -","- C104 H112 F4 O24 P4 S4 -","4","1","","Stanislav Opekar; Radek Pohl; Václav Eigner; Petr Beier","Conjugate Addition of Diethyl 1-Fluoro-1-phenylsulfonylmethanephosphonate to α,β-Unsaturated Compounds","Journal of Organic Chemistry","2013","78","","4573","4579","10.1021/jo400297f","","","1.54184","CuKα","","0.1099","0.1032","","0.112","0.106","0.106","","","","","","0.9328","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028218","32.735","0.002","5.544","0.0003","22.2598","0.0015","90","","96.912","0.005","90","","4010.4","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl6 N6 O2 S4 -","- C36 H34 Cl6 N6 O2 S4 -","- C144 H136 Cl24 N24 O8 S16 -","4","0.5","","Roya Esmaili; Davood Nematollahi","Electrochemical Method for the Synthesis of Disulfides of 2-(Benzo[d]thiazol(or oxazol)-2-ylamino)-5-morpholinobenzenethiol","Journal of Organic Chemistry","2013","78","","5018","5021","10.1021/jo302647r","","","0.71073","MoKα","","0.1382","0.0831","","","0.1584","0.1748","","","","","","1.047","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028219","12.0523","0.0011","7.62","0.0007","19.0289","0.0019","90","","90","","90","","1747.6","0.3","296","2","296","2","","","","","","","total synthesis","4","P b c a","-P 2ac 2ab","61","Caulibugulone A","7-(methylamino)isoquinoline-5,8-dione","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0559","0.0456","","","0.1161","0.1242","","","","","","1.156","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028220","10.882","0.0008","7.6896","0.0006","11.7402","0.0009","90","","105.997","0.002","90","","944.36","0.12","296","2","296","2","","","","","","","total synthesis","5","P 1 21/n 1","-P 2yn","14","caulibugulone B","6-bromo-7-(methylamino)isoquinoline-5,8-dione","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C40 H28 Br4 N8 O8 -","4","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","x-ray","0.71073","MoKα","","0.0493","0.028","","","0.0673","0.0756","","","","","","0.925","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028221","5.3738","0.0004","5.4329","0.0004","16.3535","0.0012","90","","95.509","0.002","90","","475.24","0.06","296","2","296","2","","","","","","","total synthesis","5","P 1 21 1","P 2yb","4","caulibugulone C","6-chloro-7-(methylamino)isoquinoline-5,8-dione","","- C10 H7 Cl N2 O2 -","- C10 H7 Cl N2 O2 -","- C20 H14 Cl2 N4 O4 -","2","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0593","0.0387","","","0.1144","0.1442","","","","","","0.851","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028222","7.1713","0.0004","11.2608","0.0008","15.5138","0.0009","90","","99.538","0.006","90","","1235.49","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N O4 -","- C14 H12 N O4 -","- C56 H48 N4 O16 -","4","1","","R. Santhosh Reddy; Pragati K Prasad; Brij Bhushan Ahuja; Arumugam Sudalai","CuCN-Mediated Cascade Cyclization of 4-(2-Bromophenyl)-2-butenoates: A High-Yield Synthesis of Substituted Naphthalene Amino Esters","Journal of Organic Chemistry","2013","78","","5045","5050","10.1021/jo400244h","","","0.71073","MoKα","","0.093","0.068","","","0.2185","0.2476","","","","","","1.434","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028223","6.713","0.002","11.072","0.003","14.727","0.005","98.113","0.004","101.22","0.004","91.799","0.004","1061","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N6 O3 -","- C23 H22 N6 O3 -","- C46 H44 N12 O6 -","2","1","","Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Fused Polycyclic Compounds via Cycloaddition of 4-(1'-Cyclohexenyl)-5-iodo-1,2,3-triazoles with 4-Phenyl-1,2,4-triazoline-3,5-dione: The Importance of a Sacrificial Iodide Leaving Group","Journal of Organic Chemistry","2013","78","","5038","5044","10.1021/jo400271j","","","0.71073","MoKα","","0.0593","0.0482","","","0.1219","0.1309","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028224","7.4079","0.0004","16.7358","0.0009","18.8282","0.0011","90","","100.142","0.001","90","","2297.8","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 N12 O7 -","- C49 H52 N12 O7 -","- C98 H104 N24 O14 -","2","0.5","","Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Fused Polycyclic Compounds via Cycloaddition of 4-(1'-Cyclohexenyl)-5-iodo-1,2,3-triazoles with 4-Phenyl-1,2,4-triazoline-3,5-dione: The Importance of a Sacrificial Iodide Leaving Group","Journal of Organic Chemistry","2013","78","","5038","5044","10.1021/jo400271j","","","0.71073","MoKα","","0.0595","0.0499","","","0.178","0.1899","","","","","","1.498","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028225","5.3844","0.0014","9.514","0.002","22.874","0.006","90","","95.216","0.003","90","","1166.9","0.5","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 Cl N2 O4 -","- C22 H35 Cl N2 O4 -","- C44 H70 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Dongyue Xin; Lisa M. Perez; Kevin Burgess","Expanding the Scope of Oligo-pyrrolinone-Pyrrolidines as Protein-Protein Interface Mimics","Journal of Organic Chemistry","2013","78","","4823","4833","10.1021/jo400323k","","","0.71073","MoKα","","0.0589","0.0499","","","0.113","0.1174","","","","","","1.065","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028226","10.306","0.002","10.45","0.002","11.48","0.003","90","","104.939","0.004","90","","1194.6","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O5 -","- C24 H34 N2 O5 -","- C48 H68 N4 O10 -","2","1","","Nagarathanam Veerasamy; Erik C. Carlson; Nathan D. Collett; Mrinmoy Saha; Rich G. Carter","Enantioselective Approach to Quinolizidines: Total Synthesis of Cermizine D and Formal Syntheses of Senepodine G and Cermizine C","Journal of Organic Chemistry","2013","78","","4779","4800","10.1021/jo400324t","","","0.71073","MoKα","","0.0579","0.0416","","","0.0784","0.0865","","","","","","1.039","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028227","12.493","0.003","6.4889","0.0013","13.275","0.003","90","","97.91","0.03","90","","1065.9","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O3 Si -","- C23 H27 N O3 Si -","- C46 H54 N2 O6 Si2 -","2","1","","Paidi Venkatram Reddy; Julien Smith; Anushree Kamath; Hélène Jamet; Amaël Veyron; Peter Koos; Christian Philouze; Andrew E. Greene; Philippe Delair","Asymmetric Approach to Hyacinthacines B1 and B2","Journal of Organic Chemistry","2013","78","","4840","4849","10.1021/jo400386f","","x-ray","0.71073","MoKα","","0.097","0.08","","","0.1888","0.213","","","","","","1.1","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028228","9.7244","0.0004","9.7244","0.0004","20.4524","0.0012","90","","90","","120","","1674.94","0.14","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C30 H66 P2 Pd -","- C30 H66 P2 Pd -","- C60 H132 P4 Pd2 -","2","0.333333","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.0481","0.0395","","","0.0989","0.1046","","","","","","1.099","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028229","15.03","0.0016","16.4173","0.0016","12.3394","0.0012","90","","113.961","0.003","90","","2782.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Br P Pd -","- C25 H46 Br P Pd -","- C100 H184 Br4 P4 Pd4 -","4","1","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.094","0.0433","","","0.091","0.1112","","","","","","0.975","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028230","13.689","0.009","9.441","0.007","18.734","0.013","90","","91.63","0.02","90","","2420","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H80 Br2 P2 Pd2 -","- C44 H80 Br2 P2 Pd2 -","- C88 H160 Br4 P4 Pd4 -","2","0.5","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.1515","0.1236","","","0.3138","0.3379","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028231","6.771","0.0004","12.089","0.0007","14.8586","0.0009","99.663","0.003","93.799","0.003","91.628","0.003","1195.39","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 B F2 N4 O2 -","- C26 H23 B F2 N4 O2 -","- C52 H46 B2 F4 N8 O4 -","2","1","","Sheri Madhu; Rajesh Gonnade; Mangalampalli Ravikanth","Synthesis of 3,5-Bis(acrylaldehyde) Boron-dipyrromethene and Application in Detection of Cysteine and Homocysteine in Living Cells","Journal of Organic Chemistry","2013","78","","5056","5060","10.1021/jo4004597","","","0.71073","MoKα","","0.0414","0.0374","","","0.1008","0.1054","","","","","","1.024","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028232","12.3447","0.0015","8.4511","0.0011","23.555","0.003","90","","103.932","0.008","90","","2385.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C116 H92 N4 O12 S4 -","4","1","","Xinzhang Yu; Xiaoyi Xin; Boshun Wan; Xingwei Li","Base-Catalyzed Cyclization of N-Sulfonyl Propargylamides to Sulfonylmethyl-Substituted Oxazoles via Sulfonyl Migration","Journal of Organic Chemistry","2013","78","","4895","4904","10.1021/jo4004635","","","0.71073","MoKα","","0.0446","0.0379","","","0.1027","0.1067","","","","","","1.065","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028233","11.3247","0.0007","12.843","0.0007","15.8094","0.0009","90.059","0.003","90.014","0.004","98.644","0.003","2273.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","2","","Xinzhang Yu; Xiaoyi Xin; Boshun Wan; Xingwei Li","Base-Catalyzed Cyclization of N-Sulfonyl Propargylamides to Sulfonylmethyl-Substituted Oxazoles via Sulfonyl Migration","Journal of Organic Chemistry","2013","78","","4895","4904","10.1021/jo4004635","","","0.71073","MoKα","","0.0994","0.0645","","","0.1909","0.2144","","","","","","1.076","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028234","17.0756","0.0007","17.0756","0.0007","5.7157","0.0003","90","","90","","90","","1666.56","0.13","103","2","103","2","","","","","","","","4","P 41","P 4w","76","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Guanghu Tong; Bo Zhu; Richmond Lee; Wenguo Yang; Davin Tan; Caiyun Yang; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Zhiyong Jiang","Highly Enantio- and Diastereoselective Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Allyl Ketones","Journal of Organic Chemistry","2013","78","","5067","5072","10.1021/jo400496z","","","0.71073","MoKα","","0.0591","0.0453","","","0.1085","0.1295","","","","","","1.097","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028235","12.537","0.002","11.4184","0.0019","30.962","0.005","90","","92.029","0.003","90","","4429.5","1.2","85","2","85","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H40 Cl I N O2 P2 Pd -","- C46 H38 I N O2 P2 Pd -","- C184 H152 I4 N4 O8 P8 Pd4 -","4","1","","Naresh Theddu; Edwin Vedejs","Stille Coupling of an Aziridinyl Stannatrane","Journal of Organic Chemistry","2013","78","","5061","5066","10.1021/jo4005052","","","0.71073","MoKα","","0.0542","0.0399","","","0.0858","0.09","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028236","13.293","0.0003","11.5155","0.0003","34.5292","0.0009","90","","90","","90","","5285.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N2 O9 S2 -","- C26 H24 N2 O9 S2 -","- C208 H192 N16 O72 S16 -","8","2","","Rahul Kumar; Tarun Kumar; Shaikh M. Mobin; Irishi N. N. Nambothiri","Rauhut-Currier Reaction of Nitroalkenes with Vinyl Sulfones","Journal of Organic Chemistry","2013","78","","5073","5077","10.1021/jo400528j","","","0.71073","MoKα","","0.0576","0.0486","","","0.1185","0.127","","","","","","1.049","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028237","7.902","0.002","6.4016","0.0016","24.337","0.006","90","","94.076","0.005","90","","1228","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","1","","Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin","Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids","Journal of Organic Chemistry","2013","78","","5078","5084","10.1021/jo4005537","","","0.71073","MoKα","","0.0406","0.0355","","","0.0984","0.1023","","","","","","1.05","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028238","8.055","0.0016","6.578","0.0012","22.091","0.003","90","","90","","90","","1170.5","0.4","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","0.5","","Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin","Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids","Journal of Organic Chemistry","2013","78","","5078","5084","10.1021/jo4005537","","","0.71075","MoKα","","0.0616","0.0467","","","0.1118","0.1221","","","","","","0.987","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028239","7.7674","0.0003","9.3961","0.0004","10.3181","0.0004","94.823","0.004","108.859","0.004","110.954","0.004","648.29","0.06","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","1","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0546","0.0447","","","0.0896","0.0971","","","","","","1.053","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028240","14.5338","0.0002","14.7098","0.0003","16.4238","0.0003","90","","90","","90","","3511.23","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 B O P -","- C20 H20 B O P -","- C160 H160 B8 O8 P8 -","8","2","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0645","0.0454","","","0.1074","0.116","","","","","","1.058","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028241","11.7715","0.0001","11.7715","0.0001","33.0827","0.0005","90","","90","","90","","4584.21","0.09","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H25 O3 P -","- C28 H25 O3 P -","- C224 H200 O24 P8 -","8","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0463","0.0394","","","0.0948","0.0985","","","","","","1.063","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028242","8.93335","0.00014","14.779","0.0002","14.9251","0.0002","90","","90","","90","","1970.5","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 B O3 P -","- C21 H22 B O3 P -","- C84 H88 B4 O12 P4 -","4","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0624","0.0401","","","0.0889","0.0987","","","","","","1.074","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028243","5.8557","0.0002","11.1797","0.0003","23.0458","0.0007","90","","96.169","0.003","90","","1499.96","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Fe2 N4 S2 -","- C38 H22 Fe2 N2.008 S1.004 -","- C76 H44 Fe4 N4.016 S2.008 -","2","0.5","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.0413","0.0361","","","0.1033","0.1068","","","","","","1.118","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028244","7.8356","0.0003","13.5503","0.0006","14.1937","0.0007","101.051","0.004","104.151","0.004","102.601","0.004","1377.45","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Fe2 N2 S -","- C36 H24 Fe2 N2 S -","- C72 H48 Fe4 N4 S2 -","2","1","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.06","0.0396","","","0.092","0.1045","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028245","5.8233","0.0013","10.972","0.003","25.131","0.004","92.163","0.016","94.088","0.016","90.087","0.018","1600.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br Fe N2 S -","- C18 H11 Br Fe N2 S -","- C72 H44 Br4 Fe4 N8 S4 -","4","2","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.0456","0.0356","","","0.0841","0.0904","","","","","","1.059","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028246","13.053","0.005","5.964","0.005","22.4","0.005","90","","104.204","0.005","90","","1690.5","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl N2 -","- C21 H15 Cl N2 -","- C84 H60 Cl4 N8 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.141","0.0559","","","0.1135","0.1487","","","","","","0.977","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028247","10.57","0.0006","12.281","0.0013","12.175","0.0013","90","","94.429","0.007","90","","1575.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O0 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0571","0.0447","","","0.1158","0.1252","","","","","","1.054","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028248","8.3176","0.0005","9.1581","0.0006","13.6637","0.0009","79.165","0.003","74.483","0.003","68.131","0.003","926.15","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.1363","0.0756","","","0.1647","0.1998","","","","","","0.881","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028249","19.0435","0.0007","5.8998","0.0002","15.716","0.0005","90","","111.362","0.002","90","","1644.43","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl N2 -","- C21 H15 Cl N2 -","- C84 H60 Cl4 N8 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0489","0.0354","","","0.0895","0.1013","","","","","","1.038","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028250","27.62","0.003","7.802","0.0008","16.139","0.0012","90","","111.655","0.005","90","","3232.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 O0 -","- C20 H15 N3 -","- C160 H120 N24 -","8","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0552","0.0431","","","0.1078","0.1169","","","","","","1.07","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028251","9.3639","0.0016","10.21","0.0018","10.8034","0.0018","72.267","0.004","69.494","0.003","71.237","0.003","894.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.1215","0.0648","","","0.1834","0.2372","","","","","","0.942","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028252","10.894","0.002","13.964","0.003","14.328","0.003","84.56","0.03","69.02","0.03","68.47","0.03","1891.5","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-thia-1,5-naphthiporphyrin","","","- C52 H36 N2 S -","- C52 H36 N2 S -","- C104 H72 N4 S2 -","2","1","","Bartosz Szyszko; Ewa Pacholska-Dudziak; Lechosław Latos-Grażyński","Incorporation of the 1,5-Naphthalene Subunit into Heteroporphyrin Structure: Toward Helical Aceneporphyrinoids","Journal of Organic Chemistry","2013","78","","5090","5095","10.1021/jo4006624","","","0.71073","MoKα","","0.1211","0.0611","","","0.1494","0.1728","","","","","","0.938","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028253","10.781","0.003","14.138","0.004","14.357","0.004","86.03","0.03","70.24","0.03","67.79","0.03","1902.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-selena-1,5-naphthiporphyrin","","","- C52 H36 N2 Se -","- C52 H36 N2 Se -","- C104 H72 N4 Se2 -","2","1","","Bartosz Szyszko; Ewa Pacholska-Dudziak; Lechosław Latos-Grażyński","Incorporation of the 1,5-Naphthalene Subunit into Heteroporphyrin Structure: Toward Helical Aceneporphyrinoids","Journal of Organic Chemistry","2013","78","","5090","5095","10.1021/jo4006624","","","0.71073","MoKα","","0.046","0.0344","","","0.0729","0.0771","","","","","","1.023","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028254","8.4875","0.0017","6.6947","0.0013","17.625","0.004","90","","92.5","0.03","90","","1000.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Peng Zhao; Hang Yin; Hongxin Gao; Chanjuan Xi","Cu-Catalyzed Synthesis of Diaryl Thioethers and S-Cycles by Reaction of Aryl Iodides with Carbon Disulfide in the Presence of DBU","Journal of Organic Chemistry","2013","78","","5001","5006","10.1021/jo400709s","","","0.71073","MoKα","","0.0416","0.0399","","","0.0948","0.0959","","","","","","1.139","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028255","10.8196","0.0009","12.0793","0.001","19.096","0.0016","72.509","0.001","89.47","0.001","70.382","0.001","2230.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]- 5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C21 H23 N O S6 -","- C21 H23 N O S6 -","- C84 H92 N4 O4 S24 -","4","2","","Matthias H. Düker; Hannes Schäfer; Matthias Zeller; Vladimir A. Azov","Rationally Designed Calix[4]arene-Pyrrolotetrathiafulvalene Receptors for Electron-Deficient Neutral Guests","Journal of Organic Chemistry","2013","78","","4905","4912","10.1021/jo400502t","","","0.71073","MoKα","","0.0342","0.0266","","","0.0647","0.0703","","","","","","1.033","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028256","4.9959","0.0001","15.4251","0.0005","16.5839","0.0006","90","","90","","90","","1277.99","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C68 H44 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0437","0.0356","","0.0911","0.0863","0.0911","","","","","","1.0079","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028257","4.9832","0.0003","16.4133","0.0007","16.4878","0.0007","90","","90","","90","","1348.55","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0504","0.0374","","0.0911","0.0854","0.0911","","","","","","0.9826","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028258","21.9693","0.0007","9.6562","0.0003","16.051","0.0005","90","","126.48","0.0015","90","","2737.9","0.16","295","","295","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Br2 N2 O8 -","- C30 H18 Br2 N2 O8 -","- C120 H72 Br8 N8 O32 -","4","0.5","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0774","0.0415","","0.1116","0.0968","0.1116","","","","","","0.9448","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028259","6.9155","0.0002","12.1618","0.0003","23.7255","0.0005","90","","90","","90","","1995.43","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O9 S -","- C18 H24 N2 O9 S -","- C72 H96 N8 O36 S4 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0323","0.0299","","","0.077","0.0789","","","","","","1.042","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028260","6.8352","0.0001","9.3359","0.0002","25.6298","0.0005","90","","90","","90","","1635.51","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C68 H72 N8 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0265","0.0263","","","0.0681","0.0683","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028261","4.8157","0.0001","11.331","0.0002","54.7137","0.0011","90","","90","","90","","2985.55","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl3 N O7 -","- C31 H30 Cl3 N O7 -","- C124 H120 Cl12 N4 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0481","0.0473","","","0.1245","0.1252","","","","","","1.098","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028262","7.577","0.006","7.621","0.006","11.472","0.009","90.963","0.007","101.151","0.01","112.377","0.011","598","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 N2 -","- C32 H32 N2 -","- C32 H32 N2 -","1","0.5","","Xuege Ling; Yan Xiong; Ruofeng Huang; Xiaohui Zhang; Shuting Zhang; Changguo Chen","Synthesis of Benzidine Derivatives via FeCl3.6H2O-Promoted Oxidative Coupling of Anilines","Journal of Organic Chemistry","2013","78","","5218","5226","10.1021/jo4002504","","","0.71073","MoKα","","0.1346","0.087","","","0.2671","0.2996","","","","","","0.979","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028263","9.3073","0.001","12.0801","0.0012","12.4086","0.0013","67.295","0.002","81.595","0.002","77.51","0.002","1253.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 N O4 -","- C35 H25 N O4 -","- C70 H50 N2 O8 -","2","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0585","0.0454","","","0.1082","0.1145","","","","","","1.016","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028264","12.2471","0.0004","14.0298","0.0005","19.1191","0.0007","90","","106.982","0.001","90","","3141.88","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 N2 O4 -","- C44 H28 N2 O4 -","- C176 H112 N8 O16 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.051","0.0374","","","0.0854","0.0904","","","","","","0.984","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028265","9.2269","0.0005","12.1529","0.0007","15.1197","0.0008","85.005","0.001","75.163","0.001","76.839","0.001","1595.11","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 Cl3 D4 N4 O4 -","- C36 H27 Cl3 N4 O4 -","- C72 H54 Cl6 N8 O8 -","2","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0647","0.0455","","","0.1078","0.116","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028266","13.4642","0.001","12.4255","0.0009","18.3069","0.0013","90","","108.092","0.0018","90","","2911.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 O5 -","- C39 H27 N3 O5 -","- C156 H108 N12 O20 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.075","0.0553","","","0.1177","0.1267","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028267","11.195","0.0006","17.6056","0.001","19.1402","0.0011","90","","90.748","0.001","90","","3772.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 D3 N3 O7 S -","- C47 H35 N3 O7 S -","- C188 H140 N12 O28 S4 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0492","0.038","","","0.0944","0.0996","","","","","","1.04","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028268","13.8334","0.0006","25.7733","0.0011","20.345","0.0008","90","","98.328","0.001","90","","7177.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H31 D1.5 I N2.5 O4 -","- C46 H31 I N2.5 O4 -","- C368 H248 I8 N20 O32 -","8","2","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0539","0.0462","","","0.1199","0.1258","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028269","9.6583","0.0007","10.435","0.0008","31.657","0.002","90","","94.42","0.002","90","","3181","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl3 D I N3 O4 -","- C35 H27 Cl3 I N3 O4 -","- C140 H108 Cl12 I4 N12 O16 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0522","0.041","","","0.0897","0.101","","","","","","1.125","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028270","13.405","0.002","4.6947","0.0006","26.649","0.004","90","","104.114","0.003","90","","1626.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl2 N2 O3 -","- C16 H16 Cl2 N2 O3 -","- C64 H64 Cl8 N8 O12 -","4","1","","Matthäus Getlik; Brian J. Wilson; M. Monzur Morshed; Iain D. G. Watson; Doris Tang; Pandiaraju Subramanian; Rima Al-awar","Rearrangement of 4-Amino-3-halo-pyridines by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","5705","5710","10.1021/jo4003773","","","0.71073","MoKα","","0.0589","0.0411","","","0.0879","0.0949","","","","","","1.067","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028271","13.4067","0.0006","4.7337","0.0002","26.7972","0.0013","90","","104.096","0.003","90","","1649.43","0.13","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br Cl N2 O3 -","- C16 H16 Br Cl N2 O3 -","- C64 H64 Br4 Cl4 N8 O12 -","4","1","","Matthäus Getlik; Brian J. Wilson; M. Monzur Morshed; Iain D. G. Watson; Doris Tang; Pandiaraju Subramanian; Rima Al-awar","Rearrangement of 4-Amino-3-halo-pyridines by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","5705","5710","10.1021/jo4003773","","","1.54178","CuKα","","0.0552","0.0527","","","0.1501","0.1524","","","","","","1.093","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028272","7.1704","0.0002","9.1427","0.0002","9.7023","0.0002","90","","93.713","0.002","90","","634.72","0.03","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C30 H36 O4 -","2","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0422","0.0355","","","0.0852","0.0895","","","","","","1.059","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028273","6.3404","0.0001","12.4922","0.0001","15.402","0.0001","90","","90","","90","","1219.92","0.02","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0357","0.0337","","","0.0867","0.0887","","","","","","1.118","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028274","9.556","0.003","7.2095","0.0019","20.257","0.005","90","","96.12","0.004","90","","1387.6","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.0786","0.0518","","","0.1055","0.1125","","","","","","0.927","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028275","9.852","0.002","22.69","0.005","11.49","0.002","90","","94.817","0.003","90","","2559.4","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C112 H160 O24 -","8","4","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.1215","0.0714","","","0.1413","0.1623","","","","","","1.046","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028276","10.562","0.002","12.19","0.002","18.671","0.004","95.819","0.002","105.13","0.002","103.746","0.003","2219.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C122 H94 O2 -","- C122 H94 O2 -","- C122 H94 O2 -","1","0.5","","Melissa Hughs; Miguel Jimenez; Saeed Khan; Miguel A. Garcia-Garibay","Synthesis, Rotational Dynamics, and Photophysical Characterization of a Crystalline Linearly Conjugated Phenyleneethynylene Molecular Dirotor","Journal of Organic Chemistry","2013","78","","5293","5302","10.1021/jo4004053","","","0.71073","MoKα","","0.1204","0.0726","","","0.1538","0.1722","","","","","","1.034","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028277","5.1851","0.0002","32.7784","0.0012","7.2746","0.0002","90","","107.566","0.001","90","","1178.73","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Vinayak Vishnu Pagar; Appaso M. Jadhav; Rai-Shung Liu","Gold-Catalyzed Reactions between Alkenyldiazo Carbonyl Species and Acetals","Journal of Organic Chemistry","2013","78","","5711","5716","10.1021/jo400419d","","","0.71073","MoKα","","0.0454","0.0388","","","0.1116","0.1311","","","","","","1.155","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028278","7.2931","0.0009","13.1303","0.0014","13.7726","0.0015","92.71","0.001","96.367","0.001","98.725","0.002","1292.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 F5 N2 O4 -","- C31 H19 F5 N2 O4 -","- C62 H38 F10 N4 O8 -","2","1","","Yubin Ding; Xin Li; Tong Li; Weihong Zhu; Yongshu Xie","α-Monoacylated and α,α'- and α,β'-Diacylated Dipyrrins as Highly Sensitive Fluorescence ""Turn-on"" Zn2+ Probes","Journal of Organic Chemistry","2013","78","","5328","5338","10.1021/jo400454e","","","0.71073","MoKα","","0.1102","0.0528","","","0.0964","0.1095","","","","","","1.044","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028279","12.89","0.0013","16.4959","0.0015","21.712","0.002","92.231","0.001","90.21","0.001","112.136","0.002","4272.3","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H28 F10 N4 O5 Zn -","- C47 H28 F10 N4 O5 Zn -","- C188 H112 F40 N16 O20 Zn4 -","4","2","","Yubin Ding; Xin Li; Tong Li; Weihong Zhu; Yongshu Xie","α-Monoacylated and α,α'- and α,β'-Diacylated Dipyrrins as Highly Sensitive Fluorescence ""Turn-on"" Zn2+ Probes","Journal of Organic Chemistry","2013","78","","5328","5338","10.1021/jo400454e","","","0.71073","MoKα","","0.1808","0.0732","","","0.1576","0.2211","","","","","","1.032","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028280","9.22335","0.0002","14.6654","0.0003","9.7778","0.0002","90","","116.253","0.003","90","","1186.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl2 N2 -","- C25 H30 Cl2 N2 -","- C50 H60 Cl4 N4 -","2","1","","Juan Agut; Andreu Vidal; Santiago Rodríguez; Florenci V. González","Dynamic Kinetic Asymmetric Ring-Opening/Reductive Amination Sequence of Racemic Nitroepoxides with Chiral Amines: Enantioselective Synthesis of Chiral Vicinal Diamines","Journal of Organic Chemistry","2013","78","","5717","5722","10.1021/jo400501k","","","1.54184","CuKα","","0.0402","0.0355","","","0.0915","0.0961","","","","","","1.048","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028281","18.452","0.005","21.012","0.005","23.169","0.005","77.835","0.013","76.289","0.013","80.419","0.014","8467","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H114 N8 O38.25 S4 -","- C76 H96.5 N8 O38.25 S4 -","- C304 H386 N32 O153 S16 -","4","2","","Ling Chen; Ying-Ming Zhang; Li-Hua Wang; Yu Liu","Molecular Binding Behaviors of Pyromellitic and Naphthalene Diimide Derivatives by Tetrasulfonated 1,5-Dinaphtho-(3n+8)-crown-n (n= 8, 10) in Aqueous Solution","Journal of Organic Chemistry","2013","78","","5357","5363","10.1021/jo400519z","","","0.71073","MoKα","","0.1366","0.0932","","","0.2373","0.2709","","","","","","1.088","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028282","16.0646","0.0016","19.1312","0.0018","14.769","0.0012","90","","114.212","0.004","90","","4139.8","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 N4 Na2 O29 S4 -","- C60 H74 N4 Na2 O29 S4 -","- C120 H148 N8 Na4 O58 S8 -","2","0.5","","Ling Chen; Ying-Ming Zhang; Li-Hua Wang; Yu Liu","Molecular Binding Behaviors of Pyromellitic and Naphthalene Diimide Derivatives by Tetrasulfonated 1,5-Dinaphtho-(3n+8)-crown-n (n= 8, 10) in Aqueous Solution","Journal of Organic Chemistry","2013","78","","5357","5363","10.1021/jo400519z","","","0.71073","MoKα","","0.1231","0.1088","","","0.3177","0.3289","","","","","","1.07","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4028283","8.3298","0.0011","11.5891","0.0015","15.56","0.002","69.581","0.002","87.931","0.002","77.008","0.002","1370.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl r-4-benzoyl-t-2-(2,4-dichlorophenyl)-t-5-phenyltetrahydrofuran -3,3-dicarboxylate","","- C29 H26 Cl2 O6 -","- C29 H26 Cl2 O6 -","- C58 H52 Cl4 O12 -","2","1","","Gaosheng Yang; Yongxian Sun; Yue Shen; Zhuo Chai; Shuangliu Zhou; Jiang Chu; Jun Chai","cis-2,3-Disubstituted Cyclopropane 1,1-Diesters in [3 + 2] Annulations with Aldehydes: Highly Diastereoselective Construction of Densely Substituted Tetrahydrofurans","Journal of Organic Chemistry","2013","78","","5393","5400","10.1021/jo400554a","","","0.71073","MoKα","","0.0843","0.0601","","","0.1873","0.213","","","","","","1.041","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028284","11.9773","0.0005","33.8488","0.0014","26.8616","0.0012","90","","90","","90","","10890.2","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H27 N O -","- C36 H27 N O -","- C576 H432 N16 O16 -","16","2","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.088","0.0493","","","0.1194","0.1408","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028285","18.05","0.002","35.092","0.004","16.8645","0.0019","90","","90","","90","","10682","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C33 H28 N2 O3 -","- C33 H28 N2 O3 -","- C528 H448 N32 O48 -","16","1","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.101","0.0484","","","0.1221","0.1446","","","","","","1.007","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028286","8.725","0.002","10.615","0.003","15.382","0.004","101.904","0.004","103.685","0.004","92.923","0.004","1346.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N O3 -","- C32 H28 N O3 -","- C64 H56 N2 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0965","0.0683","","","0.2192","0.271","","","","","","1.059","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028287","10.4137","0.0016","10.9877","0.0017","11.8481","0.0019","77.438","0.002","69.263","0.002","86.112","0.002","1237.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C58 H44 N4 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0593","0.0491","","","0.1542","0.1754","","","","","","1.019","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028288","17.162","0.0019","14.1668","0.0016","9.4409","0.0011","90","","97.047","0.002","90","","2278","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0498","0.0397","","","0.1097","0.1227","","","","","","1.05","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028289","8.415","0.003","8.415","0.003","16.635","0.007","88.127","0.003","88.127","0.003","65.54","","1071.4","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0683","0.0469","","","0.1296","0.16","","","","","","1.098","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028290","10.9888","0.0019","11.3153","0.0019","19.432","0.003","90","","99.034","0.003","90","","2386.2","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 O3 -","- C29 H19 N3 O3 -","- C116 H76 N12 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0941","0.0749","","","0.2207","0.2416","","","","","","1.041","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028291","11.0127","0.0014","11.3177","0.0014","19.429","0.002","90","","97.418","0.002","90","","2401.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N2 O3 -","- C30 H20 N2 O3 -","- C120 H80 N8 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0621","0.0456","","","0.1345","0.1517","","","","","","1.023","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028292","12.1292","0.0015","12.4025","0.0016","16.419","0.002","73.056","0.002","89.736","0.002","81.05","0.002","2331.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","2","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0639","0.0494","","","0.145","0.1665","","","","","","1.047","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028293","10.3447","0.0008","11.4132","0.0009","19.3604","0.0016","90","","99.075","0.001","90","","2257.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O3 S -","- C24 H16 N2 O3 S -","- C96 H64 N8 O12 S4 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.067","0.0572","","","0.1559","0.1635","","","","","","1.037","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028294","9.8042","0.0011","13.8629","0.0015","16.1318","0.0018","90","","90","","90","","2192.5","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F N2 O4 -","- C21 H15 F N2 O4 -","- C84 H60 F4 N8 O16 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0734","0.061","","","0.142","0.1481","","","","","","1.084","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028295","13.7138","0.0004","5.5493","0.0002","33.3099","0.001","90","","94.945","0.002","90","","2525.51","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihexyloxy-5,7-bis(2-thienyl)thieno[3,4-b]pyrazine","","- C26 H32 N2 O2 S3 -","- C26 H32 N2 O2 S2.9255 -","- C104 H128 N8 O8 S11.702 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","1.54178","CuKα","","0.0404","0.0324","","","0.084","0.0892","","","","","","1.039","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028296","11.9818","0.0003","13.2018","0.0003","10.9061","0.0003","90","","115.492","0.001","90","","1557.19","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Bis(2-thienyl)thieno[3,4-b]pyrazine-2,3(1H,4H)-dione","","- C15 H12 N2 O3 S3 -","- C15 H12 N2 O3 S3 -","- C60 H48 N8 O12 S12 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","0.71073","MoKα","","0.048","0.0427","","","0.1209","0.1256","","","","","","1.056","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028297","16.1751","0.0004","13.433","0.0003","7.5616","0.0002","90","","95.576","0.001","90","","1635.21","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(bromomethyl)-5,7-bis(2-thienyl)thieno[3,4-b]pyrazine","","- C16 H10 Br2 N2 S3 -","- C16 H10 Br2 N2 S3 -","- C64 H40 Br8 N8 S12 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","1.54178","CuKα","","0.0201","0.0191","","","0.0535","0.0666","","","","","","1.24","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028298","9.9176","0.0005","13.8269","0.0007","14.4534","0.0007","90","","102.099","0.003","90","","1937.96","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H45 Cl2 N O10 S -","- C37 H45 Cl2 N O10 S -","- C74 H90 Cl4 N2 O20 S2 -","2","1","","Nicholas A. Magnus; Bret A. Astleford; Dana L. T. Laird; Todd D. Maloney; Adam D. McFarland; John R. Rizzo; J. Craig Ruble; Gregory A. Stephenson; James P. Wepsiec","Additives Promote Noyori-type Reductions of a β-Keto-γ-lactam: Asymmetric Syntheses of Serotonin Norepinephrine Reuptake Inhibitors","Journal of Organic Chemistry","2013","78","","5768","5774","10.1021/jo400589j","","","1.54178","CuKα","","0.0557","0.05","","","0.1317","0.1406","","","","","","1.038","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028299","24.1779","0.0017","7.1621","0.0001","14.2437","0.0002","90","","105.839","0.007","90","","2372.86","0.19","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O7 -","- C26 H29 N O7 -","- C104 H116 N4 O28 -","4","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0455","","","","0.1362","","","","","","1.025","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028300","8.947","0.0001","10.2863","0.0001","14.9572","0.001","70.258","0.005","79.287","0.006","69.189","0.005","1207.7","0.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O7 -","- C26 H29 N O7 -","- C52 H58 N2 O14 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0477","","","","0.1395","","","","","","1.119","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028301","9.348","0.0001","8.2678","0.0001","10.8164","0.0007","90","","90.855","0.006","90","","835.88","0.06","113","","113","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.039","","","","0.1207","","","","","","1.019","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028302","10.28","0.002","10.274","0.002","10.758","0.002","90","","96.23","0.03","90","","1129.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C50 H54 N2 O12 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","0.71073","MoKα","","0.0618","0.0537","","","0.1426","0.1486","","","","","","1.08","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028303","6.2811","0.0002","9.4985","0.0005","31.822","0.002","90","","90","","90","","1898.53","0.17","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0776","","","","0.2436","","","","","","1.506","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028304","6.1955","0.0003","11.2882","0.0005","14.7831","0.0007","93.486","0.003","92.912","0.003","98.573","0.003","1018.55","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 F N O2 S -","- C23 H24 F N O2 S -","- C46 H48 F2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1133","0.0545","","","0.1399","0.197","","","","","","1.027","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028305","13.71","0.007","6.124","0.003","25.121","0.013","90","","95.688","0.008","90","","2098.8","1.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F N O2 S -","- C24 H26 F N O2 S -","- C96 H104 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1653","0.063","","","0.1542","0.2339","","","","","","0.986","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028306","12.43","0.019","6.141","0.01","27.64","0.05","90","","92.46","0.03","90","","2108","6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F N O2 S -","- C24 H26 F N O2 S -","- C96 H104 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.3446","0.0881","","","0.1856","0.3581","","","","","","0.916","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028307","13.747","0.006","6.117","0.003","25.147","0.011","90","","97.805","0.007","90","","2095","1.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O4 S -","- C23 H23 F N2 O4 S -","- C92 H92 F4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1306","0.0567","","","0.0946","0.118","","","","","","0.942","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028308","12.3463","0.0015","6.1068","0.0007","27.655","0.003","90","","92.396","0.005","90","","2083.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O4 S -","- C23 H23 F N2 O4 S -","- C92 H92 F4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1204","0.0554","","","0.1413","0.2036","","","","","","1.013","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028309","34.923","0.006","6.1752","0.0009","27.36","0.005","90","","127.598","0.004","90","","4674.9","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 F N O4 S -","- C26 H28 F N O4 S -","- C208 H224 F8 N8 O32 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1841","0.0656","","","0.1034","0.1414","","","","","","0.932","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028310","8.0528","0.0009","11.9625","0.0013","24.136","0.003","90","","93.301","0.008","90","","2321.2","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O4 S -","- C26 H28 F N O4 S -","- C104 H112 F4 N4 O16 S4 -","4","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.2013","0.1722","","","0.4482","0.4699","","","","","","1.705","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028311","13.853","0.003","6.0937","0.0012","25.16","0.004","90","","96.296","0.006","90","","2111.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br F N O2 S -","- C23 H23 Br F N O2 S -","- C92 H92 Br4 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0902","0.0426","","","0.0846","0.1103","","","","","","0.925","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028312","21.569","0.003","10.17","0.0015","21.832","0.003","90","","116.959","0.006","90","","4268.6","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C192 H216 N8 O24 S8 -","8","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.2003","0.0985","","","0.2905","0.3483","","","","","","1.077","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028313","9.3782","0.0016","28.013","0.004","17.254","0.003","90","","96.101","0.009","90","","4507.2","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C216 H216 N8 O24 S8 -","8","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.3432","0.0901","","","0.1486","0.2249","","","","","","0.907","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028314","8.6623","0.0013","17.538","0.003","15.378","0.002","90","","91.343","0.002","90","","2335.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C100 H112 N8 O12 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0699","0.0456","","","0.1232","0.1457","","","","","","1.033","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028315","8.3586","0.0003","10.8687","0.0004","12.8384","0.0005","101.952","0.002","100.022","0.002","111.15","0.002","1023.87","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 F N O2 S -","- C23 H24 F N O2 S -","- C46 H48 F2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0733","0.0484","","","0.1396","0.1727","","","","","","1.084","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028316","21.2731","0.0016","5.6491","0.0005","12.1122","0.0008","90","","98.13","0.002","90","","1440.94","0.19","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Hsin-Yi Wu; Chih-Wei Chang; Rong-Jie Chein","Enantioselective Synthesis of (Thiolan-2-yl)diphenylmethanol and Its Application in Asymmetric, Catalytic Sulfur Ylide-Mediated Epoxidation","Journal of Organic Chemistry","2013","78","","5788","5793","10.1021/jo400648f","","","0.71073","MoKα","","0.0684","0.0461","","","0.0851","0.0942","","","","","","1.019","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028317","9.468","0.0006","23.0549","0.0015","13.3023","0.0009","90","","92.765","0.002","90","","2900.3","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 O5 S -","- C34 H34 N4 O5 S -","- C136 H136 N16 O20 S4 -","4","1","","Michael F. Geer; Michael D. Walla; Kyril M. Solntsev; Cristian A. Strassert; Linda S. Shimizu","Self-Assembled Benzophenone Bis-urea Macrocycles Facilitate Selective Oxidations by Singlet Oxygen","Journal of Organic Chemistry","2013","78","","5568","5578","10.1021/jo400685u","","","0.71073","MoKα","","0.1044","0.0675","","","0.1722","0.1907","","","","","","1.033","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028318","9.917","0.018","10.332","0.018","17.37","0.04","89.13","0.07","88.64","0.07","67.3","0.05","1641","6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C72 H72 O8 S4 -","4","2","","Anna Junker; Junichiro Yamaguchi; Kenichiro Itami; Bernhard Wünsch","Synthesis of Thiophene-Based TAK-779 Analogues by C-H Arylation","Journal of Organic Chemistry","2013","78","","5579","5586","10.1021/jo400692p","","","0.7107","MoKα","","0.1788","0.1153","","","0.2623","0.3115","","","","","","1.115","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028319","10.7126","0.0011","12.2124","0.0012","13.293","0.0013","90","","90","","90","","1739.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 -","- C21 H26 N2 -","- C84 H104 N8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71073","MoKα","","0.0601","0.0459","","","0.1007","0.1074","","","","","","1.139","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028320","8.3331","0.0012","9.4612","0.0015","16.866","0.002","90","","90","","90","","1329.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71075","MoKα","","0.0306","0.0287","","","0.0738","0.0747","","","","","","1.168","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028321","11.6527","0.0014","8.0359","0.001","18.959","0.002","90","","91.457","0.002","90","","1774.7","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Christopher C. Nawrat; Leoni I. Palmer; Alexander J. Blake; Christopher J. Moody","Two Approaches to the Aromatic Core of the Aminonaphthoquinone Antibiotics","Journal of Organic Chemistry","2013","78","","5587","5603","10.1021/jo400737f","","","0.71073","MoKα","","0.0479","0.0393","","","0.112","0.117","","","","","","1.1","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028322","12.618","0.003","14.4435","0.0019","18.344","0.003","90","","95.588","0.014","90","","3327.3","1.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 N O6 -","- C40 H37 N O6 -","- C160 H148 N4 O24 -","4","1","","Jingjing Liang; Weimin Hu; Pengyu Tao; Yanxing Jia","Total Synthesis of Dictyodendrins B and E","Journal of Organic Chemistry","2013","78","","5810","5815","10.1021/jo400841d","","","0.71073","MoKα","","0.1306","0.0555","","","0.0898","0.116","","","","","","1.06","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028323","11.9172","0.0016","13.957","0.004","14.318","0.002","104.652","0.018","97.656","0.014","90.99","0.02","2280.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 Cl2 N2 O7 -","- C54 H47 Cl2 N2 O7 -","- C108 H94 Cl4 N4 O14 -","2","1","","Jingjing Liang; Weimin Hu; Pengyu Tao; Yanxing Jia","Total Synthesis of Dictyodendrins B and E","Journal of Organic Chemistry","2013","78","","5810","5815","10.1021/jo400841d","","","0.71073","MoKα","","0.1036","0.0676","","","0.1263","0.1419","","","","","","1.076","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028324","10.0113","0.0005","11.3161","0.0006","17.9297","0.0009","90","","90","","90","","2031.24","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 S -","- C20 H26 N2 O2 S -","- C80 H104 N8 O8 S4 -","4","1","","Xiang-Wei Liu; Chao Wang; Yan Yan; Yong-Qiang Wang; Jian Sun","An Organocatalyst Bearing Stereogenic Carbon and Sulfur Centers as an Efficient Promoter for Enantioselective Hydrosilylation of 1,4-Benzooxazines","Journal of Organic Chemistry","2013","78","","6276","6280","10.1021/jo400187e","","","0.7107","MoKα","","0.0976","0.054","","","0.1104","0.1285","","","","","","0.993","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028325","19.431","0.005","11.786","0.003","11.53","0.003","90","","102.154","0.004","90","","2581.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 S7 Si2 -","- C22 H20 S7 Si2 -","- C88 H80 S28 Si8 -","4","1","","Huiliang Sun; Jianwu Shi; Zilong Zhang; Sheng Zhang; Zhaoli Liang; Shisheng Wan; Yanxiang Cheng; Hua Wang","Synthesis and Structure of Bull's Horn-Shaped Oligothienoacene with Seven Fused Thiophene Rings","Journal of Organic Chemistry","2013","78","","6271","6275","10.1021/jo4002036","","","0.71073","MoKα","","0.0928","0.048","","","0.1032","0.1228","","","","","","0.998","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028326","10.271","0.009","7.222","0.006","19.244","0.016","90","","90","","90","","1427","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","0.5","","Huiliang Sun; Jianwu Shi; Zilong Zhang; Sheng Zhang; Zhaoli Liang; Shisheng Wan; Yanxiang Cheng; Hua Wang","Synthesis and Structure of Bull's Horn-Shaped Oligothienoacene with Seven Fused Thiophene Rings","Journal of Organic Chemistry","2013","78","","6271","6275","10.1021/jo4002036","","","0.71073","MoKα","","0.0748","0.0507","","","0.1108","0.1145","","","","","","1.103","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028327","14.6149","0.0003","14.4589","0.0003","21.0849","0.0004","90","","109.251","0.008","90","","4206.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-fydroxy-3-oxo-5-phenyl-5-(pyridyn-2-yl)pentanoate zinc complex","","- C40 H46 Br2 N2 O10 Zn3 -","- C40 H46 Br2 N2 O10 Zn3 -","- C160 H184 Br8 N8 O40 Zn12 -","4","1","","Masahiro Mineno; Yasuhiro Sawai; Kazuaki Kanno; Naotaka Sawada; Hideya Mizufune","Double Reformatsky Reaction: Divergent Synthesis of δ-Hydroxy-β-ketoesters","Journal of Organic Chemistry","2013","78","","5843","5850","10.1021/jo400408t","","","1.54187","CuKα","","0.0487","0.045","","","","0.0944","","","","","","1.198","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028328","7.176","0.007","9.371","0.009","23.35","0.02","90","","90","","90","","1570","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H51 B F2 N2 O -","- C36 H51 B F2 N2 O -","- C72 H102 B2 F4 N4 O2 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.2527","0.1269","","","0.223","0.3782","","","","","","0.786","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028329","7.57","0.017","14.2","0.03","10.9","0.02","90","","106.63","0.05","90","","1123","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 B F2 N2 O2 -","- C27 H27 B F2 N2 O2 -","- C54 H54 B2 F4 N4 O4 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.1366","0.0692","","","0.1508","0.1833","","","","","","0.855","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028330","9.8209","0.0013","11.2394","0.0016","13.1369","0.0018","90","","107.284","0.01","90","","1384.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 N O5 S -","- C30 H41 N O5 S -","- C60 H82 N2 O10 S2 -","2","1","","Remya Ramesh; Pandrangi Siva Swaroop; Rajesh G. Gonnade; Choppari Thirupathi; Rebeccah A. Waterworth; Jocelyn G. Millar; D. Srinivasa Reddy","Syntheses and Determination of Absolute Configurations and Biological Activities of the Enantiomers of the Longtailed Mealybug Pheromone","Journal of Organic Chemistry","2013","78","","6281","6284","10.1021/jo400491n","","","0.71073","MoKα","","0.0954","0.0524","","","0.0902","0.1053","","","","","","0.996","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4028331","16.8116","0.001","10.7857","0.0004","35.2377","0.0017","90","","90","","90","","6389.5","0.5","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C75 H53 B2 Cl3 F4 N10 O6 -","- C74 H52 B2 F4 N10 O6 -","- C296 H208 B8 F16 N40 O24 -","4","0.5","","Hemanta Kalita; Way-Zen Lee; Mangalampalli Ravikanth","Synthesis and Functionalization of BF2-Complexes of meso-Free 25-Oxasmaragdyrin","Journal of Organic Chemistry","2013","78","","6285","6290","10.1021/jo400540u","","","0.71073","MoKα","","0.1387","0.0662","","","0.1279","0.1504","","","","","","0.933","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028332","7.1373","0.0014","8.67","0.0017","11.027","0.002","106.43","0.003","91.316","0.004","103.592","0.003","633.2","0.2","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C28 H30 N6 O4 -","2","1","","Wei-Jen Lo; Yi-Hui Chen; Kuangsen Sung","Twisting-Based Spectroscopic Measure of Solvent Polarity: The PT Scale","Journal of Organic Chemistry","2013","78","","5925","5931","10.1021/jo400586w","","","0.71073","MoKα","","0.0995","0.055","","","0.1355","0.1534","","","","","","1.044","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028333","7.313","0.004","13.882","0.009","13.112","0.007","90","","98.647","0.001","90","","1316","1.3","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","1","","Wei Zhang; Shaojie Lou; Yunkui Liu; Zhenyuan Xu","Palladium-Catalyzed Chelation-Assisted Aromatic C-H Nitration: Regiospecific Synthesis of Nitroarenes Free from the Effect of the Orientation Rules","Journal of Organic Chemistry","2013","78","","5932","5948","10.1021/jo400594j","","","0.71073","MoKα","","0.0744","0.0375","","","0.0892","0.1333","","","","","","1.001","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028334","9.6961","0.0005","11.2455","0.0006","12.1837","0.0006","104.865","0.004","92.658","0.004","100.365","0.004","1257.07","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C62 H54 O6 P2 -","2","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.0771","0.0486","","","0.1081","0.1265","","","","","","1.03","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028335","9.8264","0.0006","9.845","0.0006","14.8604","0.0009","86.15","0.005","71.839","0.006","81.718","0.005","1351.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 O P -","- C34 H33 O P -","- C68 H66 O2 P2 -","2","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.0645","0.0443","","","0.0936","0.1042","","","","","","1.03","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028336","9.4609","0.0007","16.387","0.0014","16.619","0.0011","90","","102.115","0.007","90","","2519.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 O4 P -","- C31 H25 O4 P -","- C124 H100 O16 P4 -","4","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.1014","0.0586","","","0.1241","0.1474","","","","","","1.045","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028337","13.6406","0.0018","10.3114","0.0013","11.6169","0.0016","90","","94.785","0.004","90","","1628.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","0.5","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.0688","0.055","","","0.1438","0.1503","","","","","","1.183","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028338","8.7085","0.0016","12.512","0.002","31.644","0.007","90","","90","","90","","3448","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","1","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.1396","0.1143","","","0.226","0.2346","","","","","","1.285","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028339","20.8483","0.0016","10.69","0.0008","13.6039","0.0011","90","","107.394","0.001","90","","2893.2","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3aS*,4R*,7aS*)-4-(naphthalen-1-yl)hexahydro-2H-thieno[3,2-c]thiopyran","","- C17 H18 S2 -","- C17 H18 S2 -","- C136 H144 S16 -","8","2","","B. V. Subba Reddy; A. Venkateswarlu; Prashant Borkar; J. S. Yadav; M. Kanakaraju; A. C. Kunwar; B. Sridhar","Thia-Prins Bicyclization Approach for the Stereoselective Synthesis of Dithia- and Azathia-Bicycles","Journal of Organic Chemistry","2013","78","","6303","6308","10.1021/jo400680w","","","0.71073","MoKα","","0.0433","0.0357","","","0.0939","0.1003","","","","","","1.033","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028340","10.348","0.009","14.739","0.007","18.51","0.007","98.69","0.03","100.69","0.03","99.92","0.03","2683","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 S12 Si4 -","- C46 H40 S12 Si4 -","- C92 H80 S24 Si8 -","2","1","","Xinming Liu; Panpan Yu; Li Xu; Juanjuan Yang; Jianwu Shi; Zhihua Wang; Yanxiang Cheng; Hua Wang","Synthesis for the Mesomer and Racemate of Thiophene-Based Double Helicene under Irradiation","Journal of Organic Chemistry","2013","78","","6316","6321","10.1021/jo400691s","","","0.71073","MoKα","","0.1988","0.0825","","","0.157","0.1985","","","","","","1.087","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028341","9.3785","0.0004","14.7508","0.0005","18.4375","0.0008","90","","90.833","0.003","90","","2550.38","0.18","100","","100","","","","","","","","Synthesized by the authors. See text","3","C 1 c 1","C -2yc","9","","","","- C12 H24 O3 -","- C12 H24 O3 -","- C96 H192 O24 -","8","2","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.058","0.0507","","","0.1283","0.1329","","","","","","1.108","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028342","18.8892","0.0014","5.0802","0.0003","24.1881","0.0018","90","","99.713","0.004","90","","2287.8","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Br N O4 -","- C24 H30 Br N O4 -","- C96 H120 Br4 N4 O16 -","4","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.1471","0.0888","","","0.2211","0.2509","","","","","","1.034","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028343","15.8103","0.0008","5.1284","0.0003","30.3621","0.0017","90","","95.038","0.002","90","","2452.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Br N O4 -","- C26 H34 Br N O4 -","- C104 H136 Br4 N4 O16 -","4","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.0476","0.0388","","","0.1069","0.1116","","","","","","1.026","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028344","5.0201","0.0002","14.0677","0.0006","17.2224","0.0008","91.016","0.002","92.727","0.002","98.655","0.002","1200.67","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C25 H32 Br N O4 -","- C25 H32 Br N O4 -","- C50 H64 Br2 N2 O8 -","2","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.0327","0.0318","","","0.0853","0.0863","","","","","","1.045","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028345","5.6775","0.0002","25.0538","0.0008","10.3034","0.0003","90","","103.315","0.001","90","","1426.19","0.08","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C52 H92 N12 O12 -","4","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","x-ray","0.71073","MoKα","","0.0695","0.0432","","","0.1042","0.1169","","","","","","1.037","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028346","6.0714","0.0003","9.9275","0.0004","29.0711","0.0011","90","","90","","90","","1752.23","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C60 H100 N12 O20 -","4","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","","0.71073","MoKα","","0.0492","0.039","","","0.095","0.0999","","","","","","1.049","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028347","5.9436","0.0004","24.018","0.002","5.9435","0.0005","90","","93.857","0.002","90","","846.53","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C30 H50 N6 O10 -","2","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","x-ray","0.71073","MoKα","","0.0378","0.0363","","","0.0908","0.0916","","","","","","1.062","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028348","7.657","0.0015","5.566","0.0011","16.401","0.003","90","","99.53","0.03","90","","689.3","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Jing Wang; Xiaohua Liu; Shunxi Dong; Lili Lin; Xiaoming Feng","Asymmetric Organocatalytic Cyclopropanation of Cinnamone Derivatives with Stabilized Sulfonium Ylides","Journal of Organic Chemistry","2013","78","","6322","6327","10.1021/jo400743b","","","1.54186","CuKα","","0.0492","0.048","","","0.1098","0.1103","","","","","","1.276","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028349","7.6397","0.0002","9.8963","0.0002","20.2534","0.0004","90","","90.154","0.001","90","","1531.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 I N5 -","- C15 H14 I N5 -","- C60 H56 I4 N20 -","4","1","","Pradeep Sadhu; Santhosh Kumar Alla; Tharmalingam Punniyamurthy","Pd(II)-Catalyzed Aminotetrazole-directed Ortho-Selective Halogenation of Arenes","Journal of Organic Chemistry","2013","78","","6104","6111","10.1021/jo400755q","","","0.71073","MoKα","","0.0396","0.0362","","","0.092","0.0938","","","","","","1.156","","","","has coordinates","211178","2020-10-21","18:00:00",""
"4028350","7.7724","0.0013","7.417","0.0006","12.6426","0.0013","90","","104.774","0.014","90","","704.72","0.16","297.1","0.1","297.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C30 H36 O12 -","2","1","","Bowen Fang; Xingang Xie; Changgui Zhao; Peng Jing; Huilin Li; Zhengshen Wang; Jixiang Gu; Xuegong She","Asymmetric Total Synthesis of Fusarentin 6-Methyl Ether and Its Biomimetic Transformation into Fusarentin 6,7-Dimethyl Ether, 7-O-Demethylmonocerin, and (+)-Monocerin","Journal of Organic Chemistry","2013","78","","6338","6343","10.1021/jo400760q","","","0.7107","MoKα","","0.0689","0.0475","","","0.0989","0.1137","","","","","","1.055","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028351","7.2522","0.0009","8.037","0.001","16.347","0.002","82.145","0.004","85.415","0.004","75.178","0.004","911.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O6 -","- C22 H16 N2 O6 -","- C44 H32 N4 O12 -","2","1","","Partha Pratim Ghosh; Asish R. Das","Nanocrystalline and Reusable ZnO Catalyst for the Assembly of Densely Functionalized 4H-Chromenes in Aqueous Medium via One-Pot Three Component Reactions: A Greener ""NOSE"" Approach","Journal of Organic Chemistry","2013","78","","6170","6181","10.1021/jo400763z","","","0.71073","MoKα","","0.0737","0.0567","","","0.2046","0.2164","","","","","","1.466","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028352","7.7696","0.0004","12.8766","0.0007","21.506","0.001","93.162","0.004","93.844","0.005","90.531","0.005","2143.3","0.19","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H56 O12 -","- C48 H56 O12 -","- C96 H112 O24 -","2","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0508","0.0434","","0.0799","0.0736","0.0799","","","","","","1.0325","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028353","11.3285","0.0005","12.499","0.0005","25.8161","0.0008","78.786","0.003","82.948","0.003","63.226","0.004","3198.6","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H42 O9 -","- C36 H42 O9 -","- C144 H168 O36 -","4","2","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.044","0.0396","","0.0754","0.0716","0.0754","","","","","","0.9222","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028354","21.2637","0.0002","13.1046","0.0001","21.9793","0.0002","90","","102.336","0.0008","90","","5983.17","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H63 Cl9 O15 -","- C60 H63 Cl9 O15 -","- C240 H252 Cl36 O60 -","4","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0569","0.0543","","0.1514","0.1485","0.1514","","","","","","0.9885","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028355","12.429","0.001","12.697","0.001","20.361","0.001","84.869","0.006","82.376","0.006","61.765","0.008","2804.5","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H68 Cl2 O18 -","- C61 H68 Cl2 O18 -","- C122 H136 Cl4 O36 -","2","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0761","0.0637","","0.2174","0.1835","0.2174","","","","","","1.0827","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028356","18.7181","0.0004","12.5131","0.0003","21.9113","0.0006","90","","90.932","0.002","90","","5131.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl2 O15 -","- C58 H62 Cl2 O15 -","- C232 H248 Cl8 O60 -","4","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0931","0.0783","","0.2487","0.2186","0.2487","","","","","","1.0159","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028357","11.919","0.002","14.984","0.003","16.757","0.003","90","","101.78","0.03","90","","2929.7","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Cl N2 O10 -","- C31 H31 Cl N2 O10 -","- C124 H124 Cl4 N8 O40 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1409","0.1297","","","0.3429","0.3524","","","","","","1.193","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028358","12.278","0.003","14.793","0.003","16.961","0.003","90","","101.51","0.03","90","","3018.6","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N2 O10 -","- C33 H33 Cl N2 O10 -","- C132 H132 Cl4 N8 O40 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1012","0.0905","","","0.2036","0.2106","","","","","","1.207","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028359","12.096","0.002","16.361","0.003","15.6","0.003","90","","104.3","0.03","90","","2991.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N2 O9 -","- C33 H33 Cl N2 O9 -","- C132 H132 Cl4 N8 O36 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1121","0.0976","","","0.2352","0.2465","","","","","","1.147","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028360","12.346","0.003","16.964","0.003","15.303","0.003","90","","106.25","0.03","90","","3077","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl N2 O9 -","- C35 H35 Cl N2 O9 -","- C140 H140 Cl4 N8 O36 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","1.54178","CuKα","","0.1249","0.0923","","","0.2432","0.2611","","","","","","1.046","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028361","11.2476","0.0005","11.9832","0.0006","12.3358","0.0004","81.865","0.003","76.573","0.003","63.038","0.005","1440.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O4 S -","- C31 H30 N2 O4 S -","- C62 H60 N4 O8 S2 -","2","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.0576","0.0473","","","0.1357","0.142","","","","","","1.086","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028362","8.72","0.002","13.383","0.003","15.606","0.003","115.17","0.03","96.03","0.03","98.19","0.03","1603.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 N O4 -","- C12 H23.2 N0.8 O3.2 -","- C60 H116 N4 O16 -","5","2.5","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1377","0.0538","","","0.1069","0.1291","","","","","","1.069","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028363","30.456","0.006","8.4737","0.0017","13.944","0.003","90","","106.162","0.002","90","","3456.4","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C136 H200 N8 O40 -","8","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1175","0.0748","","","0.1888","0.2145","","","","","","1.038","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028364","8.41","0.005","8.707","0.006","10.62","0.007","101.173","0.006","103.851","0.006","90.396","0.006","739.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C30 H50 N2 O8 -","2","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.0758","0.0462","","","0.1094","0.1266","","","","","","1.048","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028365","8.186","0.016","23.09","0.05","8.398","0.017","90","","118.853","0.018","90","","1390","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1266","0.0813","","","0.2102","0.2517","","","","","","1.055","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028366","15.235","0.016","7.7","0.008","14.339","0.015","90","","108.123","0.011","90","","1599","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.0921","0.0491","","","0.1167","0.139","","","","","","1.031","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028367","9.978","0.006","8.194","0.005","17.056","0.01","90","","95.767","0.007","90","","1387.4","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","2","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1468","0.077","","","0.1708","0.2098","","","","","","0.988","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028368","9.884","0.002","10.805","0.002","28.083","0.006","90","","90","","90","","2999.2","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl4 O3 P Ru -","- C30 H29 Cl4 O3 P Ru -","- C120 H116 Cl16 O12 P4 Ru4 -","4","1","","Ke Li; Naifu Hu; Renshi Luo; Weicheng Yuan; Wenjun Tang","A Chiral Ruthenium-Monophosphine Catalyst for Asymmetric Addition of Arylboronic Acids to Aryl Aldehydes","Journal of Organic Chemistry","2013","78","","6350","6355","10.1021/jo400850m","","","1.54178","CuKα","","0.031","0.0293","","","0.0704","0.0713","","","","","","1.043","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4028369","14.9082","0.0003","18.0949","0.0003","20.7986","0.0015","90","","90","","90","","5610.7","0.4","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37.36 N O6.18 -","- C30 H37.36 N O6.18 -","- C240 H298.88 N8 O49.44 -","8","2","","Yuta Hashimoto; Kennosuke Itoh; Akikazu Kakehi; Motoo Shiro; Hiroyuki Suga","Diastereoselective Synthesis of Tetrahydrofurans by Lewis Acid Catalyzed Intermolecular Carbenoid-Carbonyl Reaction-Cycloaddition Sequences: Unusual Diastereoselectivity of Lewis Acid Catalyzed Cycloadditions","Journal of Organic Chemistry","2013","78","","6182","6195","10.1021/jo400858u","","","1.54187","CuKα","","","0.0619","","","","0.1601","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028370","19.9063","0.0004","6.7658","0.0002","17.8716","0.0004","90","","101.317","0.0001","90","","2360.18","0.1","100","1","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 O2 -","- C12 H10 Cl2 O2 -","- C96 H80 Cl16 O16 -","8","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.059","0.0454","","","0.1151","0.1289","","","","","","1.07","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028371","7.4703","0.0004","20.2714","0.0011","9.2951","0.0004","90","","124.22","0.003","90","","1163.91","0.11","100","1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0474","0.0405","","","0.1183","0.125","","","","","","1.057","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028372","7.3159","0.0007","7.9854","0.0007","14.9576","0.0014","81.674","0.002","81.146","0.002","64.453","0.002","775.98","0.12","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0463","0.0421","","","0.1208","0.1254","","","","","","1.039","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028373","18.333","0.004","10.937","0.002","31.096","0.006","90","","90","","90","","6235","2","100","1","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C304 H320 O48 -","16","2","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0664","0.0451","","","0.1096","0.1256","","","","","","1.039","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028374","8.7207","0.0016","11.945","0.002","41.474","0.007","90","","90.02","0.003","90","","4320.3","1.3","100","1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C240 H192 O24 -","12","3","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.159","0.0587","","","0.1413","0.191","","","","","","0.962","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028375","7.4789","0.0001","8.308","0.0001","14.567","0.0003","91.789","0.001","95.857","0.001","102.457","0.001","877.87","0.02","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O5 -","- C22 H20 O5 -","- C44 H40 O10 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0742","0.0517","","","0.115","0.1304","","","","","","1.024","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028376","9.6495","0.0004","9.9895","0.0004","12.536","0.0005","72.726","0.001","82.333","0.001","81.619","0.001","1136.36","0.08","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C62 H44 O8 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0421","0.036","","","0.0939","0.0995","","","","","","1.041","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028377","16.6507","0.0003","8.3279","0.0001","30.7761","0.0005","90","","90","","90","","4267.58","0.12","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C240 H232 -","4","0.5","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0561","0.0432","","","0.1069","0.1181","","","","","","1.106","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028378","29.1077","0.0005","14.1829","0.0003","31.4298","0.0006","90","","92.468","0.001","90","","12963.2","0.4","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C82 H93 -","- C82 H93 -","- C656 H744 -","8","1","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0968","0.0791","","","0.2445","0.2726","","","","","","1.122","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028379","6.6358","0.0003","6.8047","0.0004","25.913","0.001","90","","90","","90","","1170.09","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 O3 S -","- C12 H13 O3 S -","- C48 H52 O12 S4 -","4","1","","Gang Wang; Xia Chen; Gaohan Miao; Weijun Yao; Cheng Ma","Divergent NHC-Catalyzed Oxidative Transformations of 3-Bromoenal: Selective Synthesis of 2H-Pyran-2-ones and Chiral Dihydropyranones","Journal of Organic Chemistry","2013","78","","6223","6232","10.1021/jo400950j","","","0.71073","MoKα","","0.0704","0.0602","","","0.1813","0.1921","","","","","","1.104","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028380","14.8975","0.0016","7.3862","0.0004","30.776","0.003","90","","97.729","0.008","90","","3355.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.75 H46.75 Cl2.25 N2 O4 -","- C32.75 H46.75 Cl2.25 N2 O4 -","- C131 H187 Cl9 N8 O16 -","4","1","","Mario Uosis-Martin; G. Dan Pantoş; Mary F. Mahon; Simon E. Lewis","A Model System for the Synthesis of Complanadine Alkaloids by ""Diverted Kondrat'eva"" Oxazole-Olefin Cycloaddition","Journal of Organic Chemistry","2013","78","","6253","6263","10.1021/jo401014n","","","1.54184","CuKα","","0.1397","0.1043","","","0.2796","0.3348","","","","","","1.108","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028381","12.8334","0.0002","7.98785","0.00014","20.8843","0.0004","90","","99.1302","0.0009","90","","2113.75","0.06","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 N2 O3 S -","- C24 H18 F4 N2 O3 S -","- C96 H72 F16 N8 O12 S4 -","4","1","","Hidetsugu Tabata; Tetsuya Yoneda; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Stereochemistry of 1,5-Benzothiazepin-4-oneS-Oxide: Insight into the Stereogenic Elements at the Sulfur Atom and Axis","Journal of Organic Chemistry","2013","78","","6264","6270","10.1021/jo401020y","","","1.54187","CuKα","","","0.0429","","","","0.1198","","","","","","1.585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028382","12.4476","0.0002","25.601","0.0004","8.0385","0.0001","90","","94.393","","90","","2554.11","0.07","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F4 N2 O4 S -","- C24 H18 F4 N2 O4 S -","- C96 H72 F16 N8 O16 S4 -","4","1","","Hidetsugu Tabata; Tetsuya Yoneda; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Stereochemistry of 1,5-Benzothiazepin-4-oneS-Oxide: Insight into the Stereogenic Elements at the Sulfur Atom and Axis","Journal of Organic Chemistry","2013","78","","6264","6270","10.1021/jo401020y","","","1.54187","CuKα","","","0.1517","","","","0.3664","","","","","","3.496","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028383","17.2631","0.0012","35.327","0.003","8.9843","0.0006","90","","90","","90","","5479.1","0.7","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H32 N4 O3 -","- C30 H32 N4 O3 -","- C240 H256 N32 O24 -","8","","","Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh","Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides","Journal of Organic Chemistry","2013","78","","6450","6456","10.1021/jo4003294","","","0.71073","MoKα","","0.0459","0.0376","","","0.0951","0.1","","","","","","1.075","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028384","24.0196","0.0012","7.2186","0.0004","9.3086","0.0005","90","","99.49","0.001","90","","1591.91","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0345","0.0339","","","0.0928","0.0934","","","","","","0.861","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028385","8.2247","0.0004","12.0571","0.0006","26.649","0.001","90","","90","","90","","2642.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I N2 O5 -","- C27 H31 I N2 O5 -","- C108 H124 I4 N8 O20 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0315","0.0301","","","0.075","0.0756","","","","","","1.071","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028386","18.5929","0.0017","18.5929","0.0017","14.0338","0.0005","90","","90","","120","","4201.5","0.6","292","0.2","292","0.2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C21 H19 Br2 N O6 -","- C21 H19 Br2 N O6 -","- C126 H114 Br12 N6 O36 -","6","1","","Zhen-Xin Jia; Yong-Chun Luo; Xi-Na Cheng; Peng-Fei Xu; Yu-Cheng Gu","Organocatalyzed Michael-Michael Cascade Reaction: Asymmetric Synthesis of Polysubstituted Chromans","Journal of Organic Chemistry","2013","78","","6488","6494","10.1021/jo400476b","","","1.5418","CuKα","","0.0488","0.0366","","","0.1032","0.113","","","","","","0.938","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028387","10.7896","0.0003","8.387","0.0002","21.8671","0.0005","90","","96.133","0.002","90","","1967.48","0.09","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 O P -","- C27 H19 O P -","- C108 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0782","0.0459","","","0.1203","0.1406","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028388","21.6911","0.0005","11.2523","0.0003","7.7378","0.0002","90","","102.734","0.002","90","","1842.15","0.08","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C25 H19 O P -","- C25 H19 O P -","- C100 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0738","0.076","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028389","7.8304","0.0001","22.5042","0.0002","21.5517","0.0003","90","","91.894","0.001","90","","3795.7","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","2","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0995","0.0724","","","0.1756","0.19","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028390","7.9797","0.0003","10.5497","0.0003","20.7707","0.0007","100.503","0.002","91.237","0.002","90.268","0.002","1718.79","0.1","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C23 H17 O P -","- C23 H17 O P -","- C92 H68 O4 P4 -","4","2","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.1006","0.0591","","","0.1298","0.1466","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028391","12.9383","0.0003","9.6592","0.0003","14.2936","0.0004","90","","100.965","0.001","90","","1753.71","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 O P -","- C24 H19 O P -","- C96 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0688","0.0563","","","0.1309","0.1367","","","","","","1.101","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028392","9.0028","0.0009","22.187","0.002","9.7931","0.001","90","","110.278","0.002","90","","1834.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","2","","Xiao-Fei Yang; Wei-Hua Yu; Chang-Hua Ding; Qiu-Ping Ding; Shi-Li Wan; Xue-Long Hou; Li-Xin Dai; Pin-Jie Wang","Palladium-Catalyzed Regio-, Diastereo-, and Enantioselective Allylation of Nitroalkanes with Monosubstituted Allylic Substrates","Journal of Organic Chemistry","2013","78","","6503","6509","10.1021/jo400663d","","","0.71073","MoKα","","0.0932","0.0463","","","0.1067","0.1265","","","","","","0.978","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028393","5.8114","0.0005","10.6834","0.0009","32.091","0.003","90","","90","","90","","1992.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 O2 S2 -","- C22 H22 Fe2 O2 S2 -","- C88 H88 Fe8 O8 S8 -","4","1","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.027","0.0241","","","0.0571","0.0584","","","","","","1.052","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028394","11.118","0.003","11.118","0.003","34.896","0.013","90","","90","","90","","4313","2","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C176 H176 Cl8 Fe16 O16 Rh8 S16 -","4","0.5","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.0631","0.0362","","","0.0652","0.0878","","","","","","1.146","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028395","11.2336","0.0007","6.569","0.0005","23.8716","0.0019","90","","102.137","0.003","90","","1722.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Cl N O4 -","- C17 H24 Cl N O4 -","- C68 H96 Cl4 N4 O16 -","4","2","","Sarvesh Kumar; Paul D. Thornton; Thomas O. Painter; Prashi Jain; Jared Downard; Justin T. Douglas; Conrad Santini","Synthesis of a Family of Spirocyclic Scaffolds: Building Blocks for the Exploration of Chemical Space","Journal of Organic Chemistry","2013","78","","6529","6539","10.1021/jo400738b","","","1.54178","CuKα","","0.0597","0.0454","","","0.1029","0.109","","","","","","1.05","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028396","6.0662","0.0002","8.1707","0.0002","16.892","0.0005","103.88","0.002","92.202","0.002","95.783","0.002","806.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl N O4 -","- C16 H22 Cl N O4 -","- C32 H44 Cl2 N2 O8 -","2","1","","Sarvesh Kumar; Paul D. Thornton; Thomas O. Painter; Prashi Jain; Jared Downard; Justin T. Douglas; Conrad Santini","Synthesis of a Family of Spirocyclic Scaffolds: Building Blocks for the Exploration of Chemical Space","Journal of Organic Chemistry","2013","78","","6529","6539","10.1021/jo400738b","","","1.54178","CuKα","","0.0372","0.0341","","","0.089","0.0914","","","","","","1.041","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028397","7.9645","0.0005","10.1854","0.0007","11.7036","0.0008","83.261","0.001","79.546","0.001","78.393","0.001","911.34","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ^3^-benzo[<i>d</i>][1,2]iodoxole","","- C9 H10 F I O -","- C9 H10 F I O -","- C36 H40 F4 I4 O4 -","4","2","","Václav Matoušek; Ewa Pietrasiak; Rino Schwenk; Antonio Togni","One-Pot Synthesis of Hypervalent Iodine Reagents for Electrophilic Trifluoromethylation","Journal of Organic Chemistry","2013","78","","6763","6768","10.1021/jo400774u","","","0.71073","MoKα","","0.0341","0.0226","","","0.0445","0.0474","","","","","","1.02","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028398","13.1415","0.0013","11.408","0.0011","9.324","0.0009","90","","107.601","0.002","90","","1332.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N6 O6 S -","- C12 H4 N6 O6 S -","- C48 H16 N24 O24 S4 -","4","1","","Leticia A. Montoya; Taylor F. Pearce; Ryan J. Hansen; Lev N. Zakharov; Michael D. Pluth","Development of Selective Colorimetric Probes for Hydrogen Sulfide Based on Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","6550","6557","10.1021/jo4008095","","","0.71073","MoKα","","0.036","0.0319","","","0.0825","0.0863","","","","","","1.054","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028399","9.663","0.003","10.404","0.003","24.867","0.006","90.607","0.004","90.794","0.004","99.582","0.004","2464.6","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H52 Cl4 N4 S2 -","- C54 H52 Cl4 N4 S2 -","- C108 H104 Cl8 N8 S4 -","2","1","","Ramachandra Reddy Donthiri; Venkatanarayana Pappula; Darapaneni Chandra Mohan; Hiren H. Gaywala; Subbarayappa Adimurthy","Sodium Hydroxide Catalyzed N-Alkylation of (Hetero) Aromatic Primary Amines and N1,C5-Dialkylation of 4-Phenyl-2-aminothiazoles with Benzyl Alcohols","Journal of Organic Chemistry","2013","78","","6775","6781","10.1021/jo400834h","","","0.71073","MoKα","","0.0752","0.0655","","","0.165","0.1719","","","","","","1.049","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028400","12.9484","0.0006","9.9797","0.0003","11.131","0.0004","90","","113.437","0.005","90","","1319.69","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N O4 S -","- C10 H20 N O4 S -","- C40 H80 N4 O16 S4 -","4","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0508","0.0405","","","0.1059","0.1126","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028401","6.3108","0.0003","21.6752","0.0008","11.2066","0.0005","90","","119.167","0.003","90","","1338.56","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 N2 O3 S -","- C10 H21 N2 O3 S -","- C40 H84 N8 O12 S4 -","4","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0412","0.0383","","","0.1241","0.1269","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028402","7.8821","0.0008","11.6183","0.0007","10.8273","0.0008","90","","111.059","0.01","90","","925.3","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O2 -","- C17 H33 N3 O2 -","- C34 H66 N6 O4 -","2","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0427","0.0386","","","0.1015","0.1046","","","","","","1.046","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028403","11.8431","0.0001","11.8431","0.0001","19.1284","0.0004","90","","90","","90","","2682.93","0.06","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C20 H39 N3 O4 -","- C10 H19.5 N1.5 O2 -","- C80 H156 N12 O16 -","8","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","1.54184","CuKα","","0.0397","0.037","","","0.1086","0.1114","","","","","","1.095","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028404","41.4219","0.0012","21.0998","0.0006","10.1443","0.0003","90","","90","","90","","8866.1","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C19 H37 N3 O4 S -","- C19 H37 N3 O4 S -","- C304 H592 N48 O64 S16 -","16","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0357","0.0351","","","0.0961","0.0967","","","","","","1.043","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028405","7.0843","0.0005","8.9087","0.0006","24.7678","0.0018","88.059","0.0008","89.276","0.0009","88.0016","0.0009","1561.19","0.19","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H44 N4 O7 Si2 -","- C25 H44 N4 O7 Si2 -","- C50 H88 N8 O14 Si4 -","2","2","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.0498","0.0464","","","0.1216","0.1251","","","","","","1.018","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028406","24.0157","0.0013","8.1309","0.0004","16.5638","0.0009","90","","100.094","0.001","90","","3184.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N4 O7 Si2 -","- C26.0016 H46.0036 N4 O7 Si2 -","- C104.006 H184.014 N16 O28 Si8 -","4","1","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.0511","0.0436","","","0.1115","0.1167","","","","","","1.067","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028407","22.418","0.006","7.659","0.0019","18.298","0.005","90","","100.87","0.004","90","","3085.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N4 O8 Si2 -","- C26 H44 N4 O8 Si2 -","- C104 H176 N16 O32 Si8 -","4","1","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.1617","0.0933","","","0.2181","0.2357","","","","","","1.033","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028408","11.3784","0.0019","5.7382","0.0008","13.148","0.003","90","","114.27","0.02","90","","782.6","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","aminopropenol","Heterocycles","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Akhilesh K. Verma; Deepak Choudhary; Rakesh K. Saunthwal; Vineeta Rustagi; Monika Patel; Rakesh K. Tiwari","On Water: Silver-Catalyzed Domino Approach for the Synthesis of Benzoxazine/Oxazine-Fused Isoquinolines and Naphthyridines from o-Alkynyl Aldehydes","Journal of Organic Chemistry","2013","78","","6657","6669","10.1021/jo4009639","","","0.71073","MoKα","","0.0664","0.0503","","","0.105","0.1157","","","","","","1.055","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028409","9.0484","0.0002","12.2605","0.0004","11.764","0.0003","90","","100.383","0.003","90","","1283.7","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound-9","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Pravat Mondal; Narshinha P. Argade","Enantioselective Total Synthesis of Desbromoarborescidines A-C and the Formal Synthesis of (S)-Deplancheine","Journal of Organic Chemistry","2013","78","","6802","6808","10.1021/jo401079v","","","0.7107","MoKα","","0.0606","0.0509","","","0.1604","0.1717","","","","","","1.168","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028410","8.1929","0.0012","12.7166","0.0019","12.7229","0.0019","108.994","0.002","94.057","0.002","96.092","0.002","1238.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl N3 O -","- C12 H14 Cl N3 O -","- C48 H56 Cl4 N12 O4 -","4","2","","Tjøstil Vlaar; Pieter Mampuys; Madeleine Helliwell; Bert U. W. Maes; Romano V. A. Orru; Eelco Ruijter","Multicomponent Synthesis of 4-Aminophthalazin-1(2H)-ones by Palladium-Catalyzed Isocyanide Insertion","Journal of Organic Chemistry","2013","78","","6735","6745","10.1021/jo401131p","","","0.71073","MoKα","","0.0413","0.0377","","","0.0966","0.0993","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028412","6.2411","0.0004","15.4844","0.0009","22.3655","0.0015","90","","90","","90","","2161.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N O4 -","- C24 H23 F2 N O4 -","- C96 H92 F8 N4 O16 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.062","0.0407","","","0.0923","0.1053","","","","","","1.038","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028413","7.845","0.0002","11.3855","0.0003","27.6202","0.0007","90","","90","","90","","2467.02","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F2 N O3 -","- C31 H25 F2 N O3 -","- C124 H100 F8 N4 O12 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.044","0.0349","","","0.0881","0.0944","","","","","","1.041","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028414","10.7715","0.0005","9.7199","0.0005","12.6088","0.0007","90","","104.709","0.004","90","","1276.85","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H25 F2 N O4 -","- C31 H25 F2 N O4 -","- C62 H50 F4 N2 O8 -","2","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.1011","0.0699","","","0.1645","0.1896","","","","","","1.245","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028415","5.5792","0.0007","7.6582","0.0004","14.7901","0.0014","90","","90","","90","","631.93","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","","Tatyana S. Shestakova; Zakhar O. Shenkarev; Sergey L. Deev; Oleg N. Chupakhin; Igor A. Khalymbadzha; Vladimir L. Rusinov; Alexander S. Arseniev","Long-Range 1H-15N J Couplings Providing a Method for Direct Studies of the Structure and Azide-Tetrazole Equilibrium in a Series of Azido-1,2,4-triazines and Azidopyrimidines","Journal of Organic Chemistry","2013","78","","6975","6982","10.1021/jo4008207","","","0.71073","MoKα","","0.0423","0.0292","","","0.0711","0.073","","","","","","1","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028416","10.4","0.001","19.0495","0.0017","7.6075","0.0007","90","","90","","90","","1507.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H27 Li N2 O2 -","- C12 H27 Li N2 O2 -","- C48 H108 Li4 N8 O8 -","4","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Crystal Structure and Solution State Characterization of Lithium (S)-(1-(Bis(2-methoxyethyl)amino)-3-methylbutan-2-yl)(methyl)amide","Journal of Organic Chemistry","2013","78","","7288","7292","10.1021/jo400839q","","","0.71073","","","0.0448","0.0388","","","0.1005","0.1069","","","","","","1.054","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028417","7.643","0.0015","11.316","0.002","15.823","0.003","90","","90","","90","","1368.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0354","0.0347","","","0.0913","0.0923","","","","","","1.09","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028418","7.2552","0.0015","5.7296","0.0011","14.708","0.003","90","","98.35","0.03","90","","604.9","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0584","0.0576","","","0.1474","0.1496","","","","","","1.058","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028419","5.336","","25.071","","29.472","","90","","90","","90","","3942.73","","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C144 H240 O48 -","12","3","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.144","0.075","","","0.1743","0.2226","","","","","","1.053","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028420","8.535","0.001","5.571","0.001","13.141","0.001","90","","91.78","0.001","90","","624.53","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C24 H40 O8 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0733","0.0707","","","0.2167","0.223","","","","","","1.082","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028421","10.0993","0.0011","9.4276","0.0009","14.6656","0.0011","90","","90.076","0.006","90","","1396.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-ethoxy-1,2-oxaphosphinan-3-ol","","- C28 H36 B O6 P -","- C28 H36 B O6 P -","- C56 H72 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0412","0.0354","","","0.0873","0.0976","","","","","","1.09","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028422","11.0937","0.001","10.0847","0.0009","12.7293","0.0011","90","","105.853","0.007","90","","1369.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.1022","0.0669","","","0.1492","0.201","","","","","","1.137","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028423","9.9154","0.0007","9.5092","0.0006","14.515","0.0011","90","","91.09","0.006","90","","1368.34","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0681","0.0427","","","0.0982","0.1322","","","","","","1.142","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028424","10.7117","0.0004","7.4436","0.0002","13.429","0.0005","90","","99.092","0.002","90","","1057.29","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O5 S -","- C21 H24 F N O5 S -","- C42 H48 F2 N2 O10 S2 -","2","1","","Mari Fe Flores; Pilar García-García; Narciso M. Garrido; Isidro S. Marcos; Francisca Sanz-González; David Díez","Domino Elimination/Nucleophilic Addition in the Synthesis of Chiral Pyrrolidines","Journal of Organic Chemistry","2013","78","","7068","7075","10.1021/jo400873c","","","1.54178","CuKα","","0.034","0.0317","","","0.0722","0.0738","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028425","10.3409","0.0003","10.4801","0.0004","15.8279","0.0005","85.762","0.003","88.992","0.003","73.461","0.003","1639.85","0.1","115","0.2","115","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 B F4 Ir N4 O2 -","- C36 H36 B F4 Ir N4 O2 -","- C72 H72 B2 F8 Ir2 N8 O4 -","2","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","0.7107","MoKα","","0.0376","0.0337","","","0.0807","0.0831","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028426","5.8521","0.0002","8.9267","0.0003","13.1255","0.0005","98.92","0.003","91.029","0.003","96.137","0.003","673.08","0.04","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","1.5418","CuKα","","0.0334","0.0324","","","0.0867","0.0878","","","","","","1.048","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028427","13.547","0.0002","14.1554","0.0002","19.7922","0.0003","90","","96.101","0.002","90","","3773.92","0.1","130","0.2","130","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 B Cl2 F4 Ir N4 O2 -","- C41 H30 B Cl2 F4 Ir N4 O2 -","- C164 H120 B4 Cl8 F16 Ir4 N16 O8 -","4","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","0.7107","MoKα","","0.0421","0.0295","","","0.0607","0.0664","","","","","","1.018","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028428","21.8354","0.0007","12.8132","0.0004","7.0674","0.0002","90","","92.155","0.003","90","","1975.93","0.1","130","0.2","130.2","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N2 O5 Re -","- C21 H12 Br N2 O5 Re -","- C84 H48 Br4 N8 O20 Re4 -","4","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","1.5418","CuKα","","0.047","0.0431","","","0.1173","0.1193","","","","","","1.087","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028429","7.409","0.002","9.477","0.002","16.798","0.004","90","","93.504","0.015","90","","1177.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 B Cl F2 N2 O -","- C12 H8 B Cl F2 N2 O -","- C48 H32 B4 Cl4 F8 N8 O4 -","4","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0771","0.0495","","","0.1131","0.1274","","","","","","1.055","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028430","8.092","0.003","18.482","0.005","10.059","0.004","90","","109.344","0.015","90","","1419.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 B Cl F5 N2 O -","- C13 H7 B Cl F5 N2 O -","- C52 H28 B4 Cl4 F20 N8 O4 -","4","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0779","0.0609","","","0.1538","0.167","","","","","","1.069","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028431","6.6641","0.0009","9.977","0.003","11.0105","0.0019","88.7","0.03","78.29","0.02","89.33","0.02","716.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 B Cl F2 N3 O -","- C14 H13 B Cl F2 N3 O -","- C28 H26 B2 Cl2 F4 N6 O2 -","2","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.056","0.0406","","","0.095","0.1039","","","","","","1.034","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028432","7.175","0.007","7.22","0.007","17.702","0.017","90","","94.824","0.013","90","","913.8","1.5","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 B2 F4 N2 O2 -","- C20 H14 B2 F4 N2 O2 -","- C40 H28 B4 F8 N4 O4 -","2","0.5","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0774","0.0513","","","0.1155","0.1294","","","","","","1.044","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028433","9.0559","0.0003","6.2328","0.0001","12.1773","0.0003","90","","103.658","0.0015","90","","667.9","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0326","0.0282","","0.0693","0.068","0.0693","","","","","","0.9277","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028434","8.6862","0.0001","11.1107","0.0002","26.1274","0.0004","90","","90","","90","","2521.55","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0429","0.0356","","0.0901","0.0876","0.0901","","","","","","0.9581","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028435","7.825","0.0002","8.9113","0.0002","18.7892","0.0005","90","","90","","90","","1310.19","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0415","0.0332","","0.0823","0.0806","0.0823","","","","","","0.9131","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028436","6.2161","0.0001","11.6949","0.0002","9.3974","0.0002","90","","105.481","0.0013","90","","658.37","0.02","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C26 H38 N6 O4 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.038","0.0295","","0.0677","0.0658","0.0677","","","","","","0.8683","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028437","19.18","0.05","9.99","0.03","7.58","0.02","90","","94.11","0.03","90","","1449","7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.1573","0.1117","","","0.3156","0.3815","","","","","","0.96","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028438","11.002","0.004","24.264","0.008","9.485","0.003","90","","123.324","0.014","90","","2115.7","1.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H28 Br N O2 -","- C22 H28 Br N O2 -","- C88 H112 Br4 N4 O8 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.0605","0.0358","","","0.0692","0.0766","","","","","","0.985","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028439","11.473","0.007","13.103","0.005","13.176","0.006","60.725","0.004","77.663","0.006","73.088","0.005","1647","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H43 N O6 S Si -","- C31 H43 N O6 S Si -","- C62 H86 N2 O12 S2 Si2 -","2","1","","Manas K. Ghorai; Deo Prakash Tiwari; Nikita Jain","Lewis Acid Catalyzed SN2-Type Ring Opening of N-Activated Aziridines with Electron-Rich Arenes/Heteroarenes","Journal of Organic Chemistry","2013","78","","7121","7130","10.1021/jo401028j","","","0.71073","MoKα","","0.1272","0.1054","","","0.2721","0.2989","","","","","","1.084","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028440","5.86578","0.00013","14.3542","0.0004","12.3044","0.0003","90","","98.1422","0.0015","90","","1025.57","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C52 H36 N4 O4 S4 -","4","1","","Zhen Wang; Yoichiro Kuninobu; Motomu Kanai","Copper-Catalyzed Intramolecular N-S Bond Formation by Oxidative Dehydrogenative Cyclization","Journal of Organic Chemistry","2013","78","","7337","7342","10.1021/jo401056g","","","1.54187","CuKα","","","0.0552","","","","0.1423","","","","","","1.115","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028441","5.7853","0.0002","12.5191","0.0004","15.3075","0.0005","78.699","0.001","88.466","0.001","84.409","0.001","1081.97","0.06","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C23 H25 I O3 -","- C23 H25 I O3 -","- C46 H50 I2 O6 -","2","1","","Maiwenn Jacolot; Mickael Jean; Naresh Tumma; Arnaud Bondon; Srivari Chandrasekhar; Pierre van de Weghe","Synthesis of Stachybotrin C and All of Its Stereoisomers: Structure Revision","Journal of Organic Chemistry","2013","78","","7169","7175","10.1021/jo401116r","","x-ray","0.71073","MoKα","","0.127","0.0691","","","0.1213","0.1438","","","","","","1.076","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028442","9.5784","0.0004","12.4773","0.0005","17.9818","0.0008","73.87","0.002","78.263","0.002","77.712","0.002","1993.18","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H20 Cl3 N O3 -","- C20 H20 Cl3 N O3 -","- C80 H80 Cl12 N4 O12 -","4","2","","Mark W. Grafton; Louis J. Farrugia; Andrew Sutherland","Synthesis of Amino-Substituted Indanes and Tetralins via Consecutive Multibond-Forming Tandem Processes","Journal of Organic Chemistry","2013","78","","7199","7207","10.1021/jo401182r","","x-ray","0.71073","MoKα","","0.0697","0.0544","","","0.146","0.1541","","","","","","1.033","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028443","19.19","0.003","13.797","0.002","19.557","0.002","90","","120.635","0.011","90","","4455.3","1.2","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C85 H14 S2 -","- C85 H14 S2 -","- C340 H56 S8 -","4","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.2668","0.1412","","","0.2409","0.2877","","","","","","1.188","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028444","50.558","0.003","10.0753","0.0006","20.1387","0.0012","90","","90","","90","","10258.4","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H12 Br2 S4 -","- C86 H12 Br2 S4 -","- C688 H96 Br16 S32 -","8","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1158","0.0717","","","0.1791","0.2041","","","","","","1.053","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028445","14.002","0.0008","10.9052","0.0005","30.6099","0.0016","90","","98.829","0.001","90","","4618.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H12 Br2 S2 -","- C85 H12 Br2 S2 -","- C340 H48 Br8 S8 -","4","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1481","0.0857","","","0.2337","0.2714","","","","","","1.104","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028446","10.7742","0.0008","11.1529","0.0009","20.303","0.0016","98.824","0.001","104.7","0.001","101.071","0.001","2262.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.5 H12 Br2 S -","- C84.5 H12 Br2 S -","- C169 H24 Br4 S2 -","2","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1063","0.0641","","","0.1638","0.186","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028447","8.526","0.005","7.988","0.005","13.822","0.005","90","0.005","102.748","0.005","90","0.005","918.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C40 H38 N2 O8 S2 -","2","1","","S. Vijay Kumar; G. Parameshwarappa; H. Ila","Synthesis of 2,4,5-Trisubstituted Thiazoles via Lawesson's Reagent-Mediated Chemoselective Thionation-Cyclization of Functionalized Enamides","Journal of Organic Chemistry","2013","78","","7362","7369","10.1021/jo401208u","","","0.71073","MoKα","","0.0452","0.0335","","","0.0734","0.078","","","","","","0.814","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028448","6.1709","0.0002","10.0287","0.0003","29.5929","0.0007","90","","94.779","0.001","90","","1825.02","0.09","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F2 N2 O S -","- C22 H14 F2 N2 O S -","- C88 H56 F8 N8 O4 S4 -","4","1","","S. Vijay Kumar; G. Parameshwarappa; H. Ila","Synthesis of 2,4,5-Trisubstituted Thiazoles via Lawesson's Reagent-Mediated Chemoselective Thionation-Cyclization of Functionalized Enamides","Journal of Organic Chemistry","2013","78","","7362","7369","10.1021/jo401208u","","","0.71073","MoKα","","0.0767","0.0435","","","0.1231","0.1533","","","","","","1.075","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028449","10.162","0.003","9.184","0.0003","14.8983","0.0011","90","","109.542","0.009","90","","1310.3","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0523","0.0429","","","0.1076","0.1122","","","","","","1.111","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028450","7.1037","0.0003","19.0334","0.0008","10.0969","0.0007","90","","107.43","0.008","90","","1302.49","0.13","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","0.5","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0392","0.0368","","","0.0992","0.1017","","","","","","1.102","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028451","13.6486","0.0004","9.0116","0.0003","10.8608","0.0008","90","","99.909","0.007","90","","1315.9","0.12","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","0.5","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0394","0.0373","","","0.1014","0.1033","","","","","","1.073","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028452","7.9072","0.0004","8.6722","0.0004","11.1569","0.0008","106.68","0.007","99.245","0.007","111.357","0.008","651.69","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0551","0.0511","","","0.1338","0.137","","","","","","1.105","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028453","11.5447","0.0008","21.013","0.0014","22.4743","0.0015","90","","101.771","0.001","90","","5337.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N8 O4 Pd2 -","- C60 H48 N8 O4 Pd2 -","- C240 H192 N32 O16 Pd8 -","4","1","","Raghu Ram Chamala; Damon Parrish; Padmanava Pradhan; Mahesh K. Lakshman","Purinyl N1-Directed Aromatic C-H Oxidation in 6-Arylpurines and 6-Arylpurine Nucleosides","Journal of Organic Chemistry","2013","78","","7423","7435","10.1021/jo4008282","","","0.71073","MoKα","","0.0998","0.0645","","","0.1663","0.1925","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028454","8.102","0.002","10.608","0.003","12.154","0.003","84.335","0.005","84.569","0.005","70.466","0.005","977.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(9-benzyl-9H-purin-6-yl)naphthalen-2-yl acetate","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Raghu Ram Chamala; Damon Parrish; Padmanava Pradhan; Mahesh K. Lakshman","Purinyl N1-Directed Aromatic C-H Oxidation in 6-Arylpurines and 6-Arylpurine Nucleosides","Journal of Organic Chemistry","2013","78","","7423","7435","10.1021/jo4008282","","","0.71073","MoKα","","0.0706","0.0457","","","0.1177","0.1363","","","","","","1.046","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028455","9.349","0.004","14.881","0.007","13.437","0.006","90","","92.751","0.006","90","","1867.2","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","","Michael E. Jung; Mikhail Guzaev","Studies Toward the Enantiospecific Total Synthesis of Rhodexin A","Journal of Organic Chemistry","2013","78","","7518","7526","10.1021/jo400909t","","","0.71073","MoKα","","0.0697","0.0475","","","0.1092","0.1182","","","","","","1.047","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028456","7.067","0.004","20.412","0.01","14.737","0.008","90","","98.1","0.005","90","","2104.6","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H74 O5 Si3 -","- C38 H74 O5 Si3 -","- C76 H148 O10 Si6 -","2","1","","Michael E. Jung; Mikhail Guzaev","Studies Toward the Enantiospecific Total Synthesis of Rhodexin A","Journal of Organic Chemistry","2013","78","","7518","7526","10.1021/jo400909t","","","0.71073","MoKα","","0.0703","0.0471","","","0.0908","0.1001","","","","","","1.001","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028457","5.9362","0.0003","7.6173","0.0003","23.4584","0.0012","90","","90","","90","","1060.74","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 P S -","- C13 H9 P S -","- C52 H36 P4 S4 -","4","1","","Joshua C. Worch; Danielle N. Chirdon; Andrew B. Maurer; Yunyan Qiu; Steven J. Geib; Stefan Bernhard; Kevin J. T. Noonan","Synthetic Tuning of Electronic and Photophysical Properties of 2-Aryl-1,3-Benzothiaphospholes","Journal of Organic Chemistry","2013","78","","7462","7469","10.1021/jo400947u","","","1.54178","CuKα","","0.0768","0.0721","","","0.2075","0.2114","","","","","","2.185","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028458","7.795","0.005","18.924","0.011","9.785","0.006","90","","107.907","0.006","90","","1373.5","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dimethylsulfonium diazoacetate triflate","(1-diazo-2-ethoxy-2-oxoethyl)dimethylsulfonium triflate","","- C7 H11 F3 N2 O5 S2 -","- C7 H11 F3 N2 O5 S2 -","- C28 H44 F12 N8 O20 S8 -","4","1","","Christian Schnaars; Martin Hennum; Tore Bonge-Hansen","Nucleophilic Halogenations of Diazo Compounds, a Complementary Principle for the Synthesis of Halodiazo Compounds: Experimental and Theoretical Studies","Journal of Organic Chemistry","2013","78","","7488","7497","10.1021/jo401050c","","","0.71073","MoKα","","0.0577","0.0431","","","0.1149","0.1242","","","","","","1.067","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028459","8.9478","0.0014","14.984","0.002","12.673","0.002","90","","91.953","0.002","90","","1698.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","triethylammonium diazoacetate triflate","1-diazo-2-ethoxy-N,N,N-triethyl-2-oxoethanaminium","","- C11 H20 F3 N3 O5 S -","- C11 H20 F3 N3 O5 S -","- C44 H80 F12 N12 O20 S4 -","4","1","","Christian Schnaars; Martin Hennum; Tore Bonge-Hansen","Nucleophilic Halogenations of Diazo Compounds, a Complementary Principle for the Synthesis of Halodiazo Compounds: Experimental and Theoretical Studies","Journal of Organic Chemistry","2013","78","","7488","7497","10.1021/jo401050c","","","0.71073","MoKα","","0.0577","0.0487","","","0.1319","0.1391","","","","","","1.074","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028460","18.7732","0.0006","15.9334","0.0005","20.2459","0.0007","90","","104.18","0.002","90","","5871.5","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38.5 Au F2 N2 O2.25 P -","- C28 H38.5 Au F2 N2 O2.25 P -","- C224 H308 Au8 F16 N16 O18 P8 -","8","2","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.0932","0.0434","","","0.0933","0.1193","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028461","10.6441","0.0009","7.9916","0.0007","17.1445","0.0013","90","","106.912","0.002","90","","1395.3","0.2","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.0787","0.0508","","","0.1149","0.1281","","","","","","1.03","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028462","9.8047","0.0011","15.1178","0.0019","19.35","0.003","102.154","0.003","90.787","0.004","103.19","0.004","2724.1","0.6","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.25 H29.5 Cl0.5 N O2 S -","- C33.25 H29.5 Cl0.5 N O2 S -","- C133 H118 Cl2 N4 O8 S4 -","4","2","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.1211","0.0646","","","0.1601","0.2165","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028463","21.9821","0.0016","4.1296","0.0003","14.4511","0.0011","90","","103.816","0.008","90","","1273.88","0.17","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Br2 S2 -","- C14 H8 Br2 S2 -","- C56 H32 Br8 S8 -","4","0.5","","Christian Ruzié; Jolanta Karpinska; Alan R. Kennedy; Yves H. Geerts","Synthesis of 1,6-, 2,7-, 3,8-, and 4,9-Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophenes","Journal of Organic Chemistry","2013","78","","7741","7748","10.1021/jo401134c","","","1.5418","CuKα","","0.0439","0.0423","","","0.1198","0.1217","","","","","","1.154","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028464","12.1734","0.0004","5.0975","0.0002","13.3805","0.0004","90","","97.547","0.002","90","","823.12","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.0702","0.0447","","","0.0855","0.0952","","","","","","1.052","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028465","12.8161","0.0003","5.1702","0.0001","15.4402","0.0003","90","","92.666","0.001","90","","1021.99","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N3 O -","- C10 H15 N3 O -","- C40 H60 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.044","0.0371","","","0.0919","0.096","","","","","","1.063","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028466","13.4019","0.0006","5.5613","0.0002","15.169","0.0007","90","","111.952","0.003","90","","1048.61","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.0979","0.0542","","","0.0981","0.1131","","","","","","1.017","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028467","15.679","0.009","16.496","0.01","8.969","0.005","90","","95.185","0.011","90","","2310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F6 N2 O3 -","- C25 H24 F6 N2 O3 -","- C100 H96 F24 N8 O12 -","4","1","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","0.71073","MoKα","","0.1127","0.0893","","","0.2258","0.2443","","","","","","1.031","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028468","9.8452","0.0016","12.615","0.002","17.535","0.003","70.29","0.004","75.181","0.005","85.869","0.004","1981.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 N2 O3 S -","- C19 H30 N2 O3 S -","- C76 H120 N8 O12 S4 -","4","2","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","1.54178","CuKα","","0.0326","0.0324","","","0.085","0.0852","","","","","","1.044","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028469","13.1836","0.0003","5.4727","0.0001","8.6078","0.0002","90","","92.362","0.002","90","","620.52","0.02","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","1.54178","CuKα","","0.0283","0.0266","","","0.0673","0.0682","","","","","","1.036","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028470","15.0672","0.0003","16.1877","0.0003","33.1869","0.0006","89.496","0.006","77.803","0.005","64.751","0.005","7125.5","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H83.25 O6 -","- C86 H83.25 O6 -","- C344 H333 O24 -","4","2","","Shin-ichiro Kato; Nobutaka Takahashi; Yosuke Nakamura","Hexadecadehydrodibenzo[20]-, Tetracosadehydrotribenzo[30]-, and Dotriacontadehydrotetrabenzo[40]annulenes: Syntheses, Characterizations, Electronic Properties, and Self-Associations","Journal of Organic Chemistry","2013","78","","7658","7663","10.1021/jo401200m","","","1.54187","CuKα","","0.1341","0.0864","","","0.2522","0.2877","","","","","","1.036","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028471","8.4251","0.0002","10.9245","0.0003","20.7242","0.0004","90","","100.747","0.0015","90","","1874","0.08","200","","200","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0482","0.039","","0.104","0.0961","0.104","","","","","","0.9935","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028472","8.8893","0.0002","21.6743","0.0004","10.0894","0.0002","90","","106.018","0.0009","90","","1868.45","0.07","200","","200","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0625","0.0395","","0.0981","0.0896","0.0981","","","","","","0.9556","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028473","7.5927","0.0002","9.4172","0.0003","16.2992","0.0005","76.3835","0.0014","88.6282","0.0018","78.0391","0.0019","1107.7","0.06","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C29 H18 N2 O4 -","- C29 H18 N2 O4 -","- C58 H36 N4 O8 -","2","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0594","0.0464","","0.1252","0.1173","0.1252","","","","","","0.9891","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028474","6.8899","0.0001","9.0638","0.0001","11.7741","0.0002","90.773","0.001","101.424","0.001","111.34","0.001","668.341","0.018","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H3 Br2 Cl2 I N2 -","- C10 H3 Br2 Cl2 I N2 -","- C20 H6 Br4 Cl4 I2 N4 -","2","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0289","0.0282","","","0.0711","0.0718","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028475","26.6463","0.0003","8.8622","0.0001","13.5771","0.0001","90","","119.908","0.001","90","","2779.19","0.06","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H3 Br Cl2 I2 N2 -","- C10 H3 Br Cl2 I2 N2 -","- C80 H24 Br8 Cl16 I16 N16 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0158","0.0152","","","0.0348","0.035","","","","","","1.08","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028476","9.3313","0.0001","13.9522","0.0001","25.8239","0.0001","90","","90","","90","","3362.07","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Si -","- C13 H12 Br2 Cl2 N2 Si -","- C104 H96 Br16 Cl16 N16 Si8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0187","0.0187","","","0.0484","0.0484","","","","","","1.124","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028477","9.36","0.0001","14.3708","0.0001","26.1227","0.0002","90","","90","","90","","3513.78","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Sn -","- C13 H12 Br2 Cl2 N2 Sn -","- C104 H96 Br16 Cl16 N16 Sn8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.54184","CuKα","","0.0303","0.0302","","","0.0795","0.0796","","","","","","1.071","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028478","8.6743","0.0001","10.3483","0.0001","17.3438","0.0002","90","","90","","90","","1556.85","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5,5'-Dibromo-2,2'-dichloro-3-phenyl-[4,4']bipyridinyl","","- C16 H8 Br2 Cl2 N2 -","- C16 H8 Br2 Cl2 N2 -","- C64 H32 Br8 Cl8 N8 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0159","0.0152","","","0.0363","0.0366","","","","","","1.07","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028479","8.4324","0.0001","10.3748","0.0001","17.2945","0.0002","90","","90","","90","","1513","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H7 Br2 Cl2 N3 -","- C15 H7 Br2 Cl2 N3 -","- C60 H28 Br8 Cl8 N12 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0175","0.0173","","","0.0467","0.0467","","","","","","1.092","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028480","7.1636","0.0001","29.2923","0.0002","8.4859","0.0001","90","","94.362","0.001","90","","1775.51","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H8 Br2 Cl2 N2 -","- C18 H8 Br2 Cl2 N2 -","- C72 H32 Br8 Cl8 N8 -","4","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0326","0.0325","","","0.0814","0.0815","","","","","","1.064","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028481","6.6202","0.0002","11.2051","0.0005","28.4745","0.0012","90","","90.7","0.002","90","","2112.08","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","","Soumik Mondal; Annamalai Prathap; Kana M. Sureshan","Vinylogy in Orthoester Hydrolysis: Total Syntheses of Cyclophellitol, Valienamine, Gabosine K, Valienone, Gabosine G, 1-epi-Streptol, Streptol, and Uvamalol A","Journal of Organic Chemistry","2013","78","","7690","7700","10.1021/jo401272j","","","0.71073","MoKα","","0.1029","0.0573","","","0.1698","0.2083","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028482","12.7467","0.0008","25.7775","0.0017","8.1981","0.0004","90","","101.632","0.004","90","","2638.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O5 S -","- C31 H25 N O5 S -","- C124 H100 N4 O20 S4 -","4","1","","Yancheng Hu; Ruxia Yi; Fan Wu; Boshun Wan","Synthesis of Functionalized Oxazoles via Silver-Catalyzed Cyclization of Propargylamides and Allenylamides","Journal of Organic Chemistry","2013","78","","7714","7726","10.1021/jo401330t","","","0.71073","MoKα","","0.1075","0.0494","","","0.0965","0.1116","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028483","10.5504","0.0007","12.7378","0.0009","12.8597","0.0009","90","","90","","90","","1728.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br N2 O6 -","- C16 H17 Br N2 O6 -","- C64 H68 Br4 N8 O24 -","4","1","","Artur Noole; Kaja Ilmarinen; Ivar Järving; Margus Lopp; Tõnis Kanger","Asymmetric Synthesis of Congested Spiro-cyclopentaneoxindoles via an Organocatalytic Cascade Reaction","Journal of Organic Chemistry","2013","78","","8117","8122","10.1021/jo4008223","","","0.71073","MoKα","","0.0242","0.0216","","","0.0472","0.0478","","","","","","1.019","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028484","9.667","0.0002","11.1719","0.0002","19.3587","0.0004","90","","90","","90","","2090.72","0.07","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71073","MoKα","","0.0382","0.0274","","","0.0461","0.0473","","","","","","0.826","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028485","12.0501","0.0002","9.3407","0.0002","19.3246","0.0005","90","","98.772","0.002","90","","2149.66","0.08","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 I N O3 -","- C23 H24 I N O3 -","- C92 H96 I4 N4 O12 -","4","2","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71069","MoKα","","0.042","0.0309","","","0.0457","0.0473","","","","","","0.908","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028486","13.5058","0.0013","4.6253","0.0003","18.357","0.002","90","","93.274","0.004","90","","1144.86","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.112","0.0472","","","0.106","0.1313","","","","","","0.975","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4028487","8.4402","0.0004","12.1368","0.0006","14.9524","0.0008","90","","90.817","0.002","90","","1531.52","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.0729","0.0507","","","0.1406","0.1572","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4028488","10.9095","0.0006","12.0094","0.0007","13.3449","0.0007","72.715","0.002","80.074","0.003","78.396","0.002","1623.43","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","2","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.0735","0.0467","","","0.121","0.1367","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4028489","10.9448","0.0006","15.4733","0.0009","13.881","0.0008","90","","104.966","0.001","90","","2271","0.2","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br F N O3 S -","- C25 H23 Br F N O3 S -","- C100 H92 Br4 F4 N4 O12 S4 -","4","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0451","0.0369","","","0.0954","0.101","","","","","","1.037","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028490","14.6611","0.0005","15.1611","0.0006","20.8261","0.0008","90","","90","","90","","4629.2","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C208 H216 N8 O24 S8 -","8","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0692","0.0577","","","0.1304","0.1372","","","","","","1.181","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028491","8.5849","0.0005","10.9787","0.0008","26.2197","0.0016","90","","90","","90","","2471.2","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 S2 -","- C24 H27 N O4 S2 -","- C96 H108 N4 O16 S8 -","4","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0386","","","","0.1143","","","","","","1.044","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028492","12.5942","0.0008","7.418","0.0005","12.6348","0.0013","90","","90.76","0.003","90","","1180.29","0.16","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N3 O4 S2 -","- C24 H27 N O4 S2 -","- C48 H54 N2 O8 S4 -","2","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0354","","","","0.1051","","","","","","1.087","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028493","20.1281","0.0017","14.9938","0.0016","8.0453","0.0007","90","","90","","90","","2428","0.4","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Manman Sun; Tianshui Zhang; Weiliang Bao","FeCl3-Catalyzed Cascade Cyclization in One Pot: Synthesis of Ring-Fused Tetrahydroquinoline Derivatives from Arylamines and N-Substituted Lactams","Journal of Organic Chemistry","2013","78","","8155","8160","10.1021/jo400979h","","","0.71073","MoKα","","0.1181","0.0928","","","0.2086","0.2376","","","","","","1.049","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028494","5.8867","0.0012","17.738","0.004","9.807","0.002","90","","90.84","0.03","90","","1023.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C48 H54 N2 O6 -","2","1","","Hui Zhao; Atsushi Kato; Kasumi Sato; Yue-Mei Jia; Chu-Yi Yu","Total Synthesis and Glycosidase Inhibition of Broussonetine I and J2","Journal of Organic Chemistry","2013","78","","7896","7902","10.1021/jo4010553","","","0.71073","MoKα","","0.0641","0.0578","","","0.0908","0.0935","","","","","","1.134","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028495","13.992","0.0009","8.9084","0.0001","8.6286","0.0001","90","","90","","90","","1075.52","0.07","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0427","0.0405","","","0.0963","0.0984","","","","","","1.15","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028496","12.636","0.0002","7.0137","0.0001","14.3915","0.001","90","","114.714","0.008","90","","1158.62","0.11","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54178","CuKα","","0.0571","0.0507","","","0.1252","0.133","","","","","","1.164","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028497","13.4787","0.0002","13.3407","0.0002","14.214","0.001","90","","90","","90","","2555.89","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0519","0.0451","","","0.1209","0.1282","","","","","","1.093","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028498","13.155","0.002","14.57","0.002","27.548","0.004","90","","90.26","0.02","90","","5280","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-1-(4-iodo-2,6-bis(trifluoromethyl)phenyl)-3,3-diisopropyl- triaz-1-ene","","- C14 H16 F6 I N3 -","- C14 H16 F6 I N3 -","- C168 H192 F72 I12 N36 -","12","3","","Andreas Hafner; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Bräse","ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes","Journal of Organic Chemistry","2013","78","","7938","7948","10.1021/jo401145g","","","0.71073","MoKα","","0.0525","0.0403","","","0.0754","0.0801","","","","","","1.058","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028499","36.8738","0.0028","7.8936","0.0006","17.0218","0.0013","90","","102.531","0.001","90","","4836.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-diethyl 2,2'-(2-(3,3-diisopropyltriaz-1-en-1-yl)-5-iodo- 1,3-phenylene)bis(2,2-difluoroacetate)","","- C20 H26 F4 I N3 O4 -","- C20 H26 F4 I N3 O4 -","- C160 H208 F32 I8 N24 O32 -","8","2","","Andreas Hafner; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Bräse","ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes","Journal of Organic Chemistry","2013","78","","7938","7948","10.1021/jo401145g","","","0.71073","MoKα","","0.0588","0.043","","","0.0802","0.0855","","","","","","1.079","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028500","9.3223","0.0005","10.8288","0.0005","11.3948","0.0006","61.996","0.001","85.235","0.001","68.67","0.001","940.65","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N O2 S -","- C19 H25 N O2 S -","- C38 H50 N2 O4 S2 -","2","1","","Hsiao-Hua Hung; Yi-Ching Liao; Rai-Shung Liu","Oxidant-Dependent Chemoselectivity in the Gold-Catalyzed Oxidative Cyclizations of 3,4,6,6-Tetrasubstituted 3,5-Dien-1-ynes","Journal of Organic Chemistry","2013","78","","7970","7976","10.1021/jo401161h","","","0.71073","MoKα","","0.0951","0.0534","","","0.1356","0.1575","","","","","","1.032","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028501","11.2827","0.0011","19.8394","0.0019","14.7376","0.0014","90","","90.385","0.003","90","","3298.8","0.5","174","2","174","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl2 F7 Ir N6 -","- C34 H24 Cl2 F7 Ir N6 -","- C136 H96 Cl8 F28 Ir4 N24 -","4","1","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0215","0.0199","","","0.0509","0.0517","","","","","","1.026","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028502","10.6569","0.0001","17.5703","0.0002","22.4981","0.0004","107.328","0.001","94.596","0.001","102.635","0.001","3876.06","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H24 Cl6 F7 Ir N6 O -","- C35 H24 Cl6 F7 Ir N6 O -","- C140 H96 Cl24 F28 Ir4 N24 O4 -","4","2","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0489","0.0367","","","0.0901","0.0969","","","","","","1.032","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028503","10.349","0.0002","11.8478","0.0002","15.8534","0.0002","109.257","0.001","91.904","0.001","97.133","0.001","1815.15","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Cl2 F13 Ir N6 -","- C36 H22 Cl2 F13 Ir N6 -","- C72 H44 Cl4 F26 Ir2 N12 -","2","1","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0501","0.0451","","","0.1246","0.1289","","","","","","1.054","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028504","9.5195","0.0017","8.2289","0.0014","11.0119","0.0019","90","","98.595","0.003","90","","852.9","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0448","0.0405","","","0.1021","0.1055","","","","","","1.072","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028505","7.8773","0.001","14.4868","0.0019","8.7034","0.0012","90","","105.377","0.002","90","","957.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C50 H40 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0318","0.03","","","0.0776","0.0791","","","","","","1.054","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028506","7.2135","0.0007","10.2319","0.0009","22.864","0.002","90","","90","","90","","1687.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0404","0.0392","","","0.0997","0.1007","","","","","","1.099","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028507","13.2591","0.0004","25.5247","0.0007","10.0154","0.0003","90","","90","","90","","3389.56","0.17","296","2","296","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","","","Keith Ramig; Edyta M. Greer; David J. Szalda; Sasan Karimi; Allen Ko; Laura Boulos; Jiansan Gu; Nathan Dvorkin; Hema Bhramdat; Gopal Subramaniam","NMR Spectroscopic and Computational Study of Conformational Isomerism in Substituted 2-Aryl-3H-1-benzazepines: Toward Isolable Atropisomeric Benzazepine Enantiomers","Journal of Organic Chemistry","2013","78","","8028","8036","10.1021/jo4013089","","","0.71073","MoKα","","0.0421","0.0346","","","0.0891","0.0943","","","","","","1.055","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028508","11.80816","0.00009","9.10166","0.00006","12.70852","0.00009","90","","103.658","0.0007","90","","1327.21","0.017","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C64 H44 F12 O8 -","4","1","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0321","0.031","","","0.0789","0.08","","","","","","1.053","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028509","17.14511","0.00005","15.82328","0.00006","19.53876","0.00007","90","","90","","90","","5300.71","0.03","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C256 H176 F48 O32 -","16","2","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0331","0.0317","","","0.0817","0.0831","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028510","8.0808","0.0018","10.686","0.004","14.044","0.005","86.22","0.03","75.19","0.02","79.31","0.02","1151.9","0.7","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C52 H54 N2 O10 S2 -","2","2","","Philip C. Bulman Page; Louise F. Appleby; Yohan Chan; David P. Day; Benjamin R. Buckley; Alexandra M. Z. Slawin; Steven M. Allin; Michael J. McKenzie","Kinetic Resolution in Asymmetric Epoxidation using Iminium Salt Catalysis","Journal of Organic Chemistry","2013","78","","8074","8082","10.1021/jo401345m","","","0.71075","MoKα","","","0.0683","","","","0.1993","","","","","","0.804","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028511","8.1835","0.0013","7.9979","0.0012","13.072","0.002","90","","103.357","0.002","90","","832.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B2 F8 N2 O2 -","- C14 H12 B2 F8 N2 O2 -","- C28 H24 B4 F16 N4 O4 -","2","0.5","","Arumugam Thangavel; Ian A. Elder; Chariklia Sotiriou-Leventis; Richard Dawes; Nicholas Leventis","Breaking Aggregation and Driving the Keto-to-gem-Diol Equilibrium of the N,N'-Dimethyl-2,6-diaza-9,10-anthraquinonediium Dication to the Keto Form by Intercalation in Cucurbit[7]uril","Journal of Organic Chemistry","2013","78","","8297","8304","10.1021/jo3027577","","","0.71073","MoKα","","0.1113","0.0936","","","0.2589","0.2878","","","","","","1.185","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028512","13.625","0.009","4.904","0.003","11.031","0.007","90","","112.012","0.009","90","","683.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F6 O2 -","- C16 H8 F6 O2 -","- C32 H16 F12 O4 -","2","0.5","","Yunus E. Türkmen; Viresh H. Rawal","Exploring the Potential of Diarylacetylenediols as Hydrogen Bonding Catalysts","Journal of Organic Chemistry","2013","78","","8340","8353","10.1021/jo400926n","","","0.71073","MoKα","","0.0585","0.0522","","","0.1368","0.1434","","","","","","0.943","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028513","9.797","0.002","6.1428","0.0012","35.557","0.007","90","","93.51","0.03","90","","2135.8","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Fenghai Guo; Ramesh C. Dhakal; R. Karl Dieter","Conjugate Addition Reactions of N-Carbamoyl-4-pyridones and 2,3-Dihydropyridones with Grignard Reagents in the Absence of Cu(I) Salts","Journal of Organic Chemistry","2013","78","","8451","8464","10.1021/jo400936z","","","0.71073","MoKα","","0.1263","0.0876","","","0.2368","0.294","","","","","","1.042","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028514","10.207","0.005","11.783","0.005","19.638","0.009","84.53","0.006","78.165","0.006","73.602","0.006","2215.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 F2 N2 O7 -","- C49 H40 F2 N2 O7 -","- C98 H80 F4 N4 O14 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.0772","0.0558","","","0.14","0.1535","","","","","","1.081","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028515","10.642","0.003","14.408","0.004","24.489","0.007","90","","101.997","0.004","90","","3672.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Cl2 N2 O5 -","- C33 H24 Cl2 N2 O5 -","- C132 H96 Cl8 N8 O20 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1238","0.0621","","","0.1422","0.1624","","","","","","0.853","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028516","10.438","0.002","12.642","0.003","17.628","0.004","81.504","0.003","80.904","0.003","88.886","0.003","2271.7","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 Cl2 N2 O5 -","- C49 H40 Cl2 N2 O5 -","- C98 H80 Cl4 N4 O10 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1341","0.0621","","","0.1493","0.1776","","","","","","0.898","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028517","10.2295","0.0011","16.6807","0.0018","22.423","0.003","90","","98.328","0.002","90","","3785.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 F2 N2 O5 -","- C44 H46 F2 N2 O5 -","- C176 H184 F8 N8 O20 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1","0.0549","","","0.1164","0.1393","","","","","","1.004","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028518","10.326","0.004","15.052","0.006","16.253","0.007","97.534","0.006","99.983","0.005","94.847","0.006","2451.5","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 Cl5 N3 O4 -","- C50 H50 Cl5 N3 O4 -","- C100 H100 Cl10 N6 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.2128","0.1389","","","0.3204","0.3482","","","","","","1.073","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028519","10.2599","0.0017","12.206","0.002","20.525","0.004","95.768","0.002","104.41","0.002","102.815","0.002","2394.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl2 N3 O5 -","- C52 H45 Cl2 N3 O5 -","- C104 H90 Cl4 N6 O10 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1547","0.0611","","","0.1385","0.1688","","","","","","0.858","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028520","11.996","0.002","14.028","0.002","14.829","0.004","104.425","0.003","104.884","0.003","106.77","0.002","2163.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H41 Cl3 N2 O4 -","- C49 H41 Cl3 N2 O4 -","- C98 H82 Cl6 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1273","0.0686","","","0.1779","0.2174","","","","","","1.038","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028521","10.2274","0.001","12.2634","0.0012","17.1688","0.0017","90","","94.869","0.001","90","","2145.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H32 Cl4 N2 O4 -","- C46 H32 Cl4 N2 O4 -","- C92 H64 Cl8 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.0441","0.0381","","","0.0993","0.1039","","","","","","1","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028522","10.3188","0.0013","11.8802","0.0015","15.944","0.002","91.334","0.004","104.48","0.004","103.952","0.003","1829.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cl2 N2 O4 -","- C42 H42 Cl2 N2 O4 -","- C84 H84 Cl4 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1597","0.0662","","","0.128","0.1567","","","","","","1.017","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028523","11.2621","0.0009","16.9401","0.0015","14.7831","0.0013","90","","100.165","0.003","90","","2776.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 N2 O4 -","- C34 H26 Cl2 N2 O4 -","- C136 H104 Cl8 N8 O16 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1679","0.1204","","","0.2526","0.2937","","","","","","1.132","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028524","11.308","0.002","11.459","0.002","12.459","0.002","69.744","0.002","88.758","0.003","81.088","0.003","1495.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1591","0.1082","","","0.3381","0.3683","","","","","","1.068","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028525","7.5283","0.0006","10.4136","0.0008","12.1829","0.0009","114.304","0.007","97.336","0.006","90.168","0.006","861.7","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C36 H36 N4 O8 S2 -","2","1","","Jinjin Wang; Jing Wang; Ping Lu; Yanguang Wang","Copper-Catalyzed Cascade Preparation of Dihydropyrimidin-4-ones from N-(Prop-2-yn-1-yl)amides and Azides","Journal of Organic Chemistry","2013","78","","8816","8820","10.1021/jo401094j","","","0.71073","MoKα","","0.0508","0.0385","","","0.087","0.0964","","","","","","1.036","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028526","9.546","0.0003","5.8393","0.0002","14.1047","0.0004","90","","96.805","0.002","90","","780.68","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Se-Mi Son; Hyeon-Kyu Lee","Dynamic Kinetic Resolution-Based Asymmetric Transfer Hydrogenation of 2-Benzoylmorpholinones and Its Use in Concise Stereoselective Synthesis of All Four Stereoisomers of the Antidepressant Reboxetine","Journal of Organic Chemistry","2013","78","","8396","8404","10.1021/jo401102d","","","0.71073","MoKα","","0.0363","0.0347","","","0.0912","0.0928","","","","","","1.067","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028527","12.808","0.003","11.901","0.002","24.056","0.007","90","","112.72","0.03","90","","3382.3","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C152 H136 N8 O40 S8 -","8","2","","Hao Yu; Lei Zhang; Zhilin Yang; Zhen Li; Yan Zhao; Yumei Xiao; Hongchao Guo","Phosphine-Catalyzed [3 + 2] Cycloaddition of Sulfamate-Derived Cyclic Imines with Allenoate: Synthesis of Sulfamate-Fused Dihydropyrroles","Journal of Organic Chemistry","2013","78","","8427","8436","10.1021/jo401107v","","","0.71073","MoKα","","0.0964","0.0811","","","0.1472","0.1538","","","","","","1.286","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028528","8.3672","0.0007","8.7128","0.0007","12.731","0.0011","90","","98.037","0.001","90","","919","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O5 S -","- C18 H19 N3 O5 S -","- C36 H38 N6 O10 S2 -","2","1","","Bao-Dong Cui; Wen-Yong Han; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Enantioselective Synthesis of Quaternary 3-Aminooxindoles via Organocatalytic Asymmetric Michael Addition of 3-Monosubstituted 3-Aminooxindoles to Nitroolefins","Journal of Organic Chemistry","2013","78","","8833","8839","10.1021/jo401154b","","","0.71073","MoKα","","0.045","0.0357","","","0.0806","0.0844","","","","","","1.063","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028529","7.996","0.002","8.27","0.002","28.609","0.007","90","","90","","90","","1891.8","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br O2 -","- C21 H25 Br O2 -","- C84 H100 Br4 O8 -","4","1","","Douglass F. Taber; James F. Berry","Construction of the Tricyclic A-B-C Core of the Veratrum Alkaloids","Journal of Organic Chemistry","2013","78","","8437","8441","10.1021/jo401158d","","","0.71073","MoKα","","0.0265","0.0241","","","0.067","0.0684","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028530","5.4454","0.0015","8.372","0.002","9.793","0.003","84.238","0.005","83.54","0.004","78.233","0.005","432.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N O8 -","- C16 H23 N O8 -","- C16 H23 N O8 -","1","1","","Suresh Dharuman; Preeti Gupta; Pavan K. Kancharla; Yashwant D. Vankar","Synthesis of 2-Nitroglycals from Glycals Using the Tetrabutylammonium Nitrate-Trifluoroacetic Anhydride-Triethylamine Reagent System and Base-Catalyzed Ferrier Rearrangement of Acetylated 2-Nitroglycals","Journal of Organic Chemistry","2013","78","","8442","8450","10.1021/jo401165y","","","0.71073","MoKα","","0.0687","0.0507","","","0.1065","0.1438","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028531","9.0945","0.0013","11.1936","0.0009","21.398","0.003","90","","120.027","0.018","90","","1886","0.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N2 O5 P -","- C15 H19 Cl2 N2 O5 P -","- C60 H76 Cl8 N8 O20 P4 -","4","1","","Wouter Debrouwer; Thomas S. A. Heugebaert; Kristof Van Hecke; Christian V. Stevens","Synthetic Entry into 1-Phosphono-3-azabicyclo[3.1.0]hexanes","Journal of Organic Chemistry","2013","78","","8232","8241","10.1021/jo401185u","","","1.5418","CuKα","","0.106","0.0702","","","0.174","0.2166","","","","","","1.008","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028532","9.6158","0.0004","11.3767","0.0005","17.5776","0.0007","90","","98.092","0.004","90","","1903.77","0.14","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl2 N2 O3 P -","- C16 H19 Cl2 N2 O3 P -","- C64 H76 Cl8 N8 O12 P4 -","4","1","","Wouter Debrouwer; Thomas S. A. Heugebaert; Kristof Van Hecke; Christian V. Stevens","Synthetic Entry into 1-Phosphono-3-azabicyclo[3.1.0]hexanes","Journal of Organic Chemistry","2013","78","","8232","8241","10.1021/jo401185u","","","1.5418","CuKα","","0.0707","0.0452","","","0.1177","0.1342","","","","","","1.027","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028533","11.812","0.005","12.254","0.005","16.871","0.005","86.203","0.005","72.152","0.005","63.842","0.005","2079.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 F5 N2 S -","- C45 H27 F5 N2 S -","- C90 H54 F10 N4 S2 -","2","1","","Ganesan Karthik; Pallavee Vitti Krushna; A. Srinivasan; Tavarekere K. Chandrashekar","Calix[2]thia[4]phyrin: An Expanded Calixphyrin with Aggregation-Induced Enhanced Emission and Anion Receptor Properties","Journal of Organic Chemistry","2013","78","","8496","8501","10.1021/jo401232a","","","0.71073","MoKα","","0.1209","0.0692","","","0.1815","0.2111","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028534","17.6848","0.0016","21.47","0.002","20.6857","0.0018","90","","99.421","0.005","90","","7748.3","1.2","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C362 H226 Cl14 F40 N16 O38 S8 -","4","2","","Ganesan Karthik; Pallavee Vitti Krushna; A. Srinivasan; Tavarekere K. Chandrashekar","Calix[2]thia[4]phyrin: An Expanded Calixphyrin with Aggregation-Induced Enhanced Emission and Anion Receptor Properties","Journal of Organic Chemistry","2013","78","","8496","8501","10.1021/jo401232a","","","0.71073","MoKα","","0.1112","0.0814","","","0.2186","0.2455","","","","","","1.031","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028535","7.89551","0.00009","17.34558","0.00016","22.8169","0.0002","90","","90","","90","","3124.82","0.05","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N3 O7 -","- C32 H43 N3 O7 -","- C128 H172 N12 O28 -","4","1","","Suvendu Biswas; Nader E. Abo-Dya; Alexander Oliferenko; Amir Khiabani; Peter J. Steel; Khalid A. Alamry; Alan R. Katritzky","Oxyazapeptides: Synthesis, Structure Determination, and Conformational Analysis","Journal of Organic Chemistry","2013","78","","8502","8509","10.1021/jo401234g","","","1.54184","CuKα","","0.0385","0.0354","","","0.0895","0.0925","","","","","","1.026","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028536","8.132","0.003","12.16","0.005","15.703","0.006","90","","90","","90","","1552.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.0728","0.0561","","","0.1488","0.1596","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028537","7.2906","0.0005","13.4966","0.0008","16.3088","0.001","90","","90","","90","","1604.76","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I2 O2 -","- C16 H14 I2 O2 -","- C64 H56 I8 O8 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.026","0.0252","","","0.0612","0.0617","","","","","","1.307","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028538","16.677","0.003","9.9746","0.0015","15.086","0.002","90","","113.85","0.003","90","","2295.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl N3 O5 -","- C24 H30 Cl N3 O5 -","- C96 H120 Cl4 N12 O20 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0563","0.0426","","","0.0879","0.0914","","","","","","1.076","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028539","14.227","0.002","13.112","0.002","23.405","0.003","90","","117.331","0.007","90","","3878.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl4 N3 O8 -","- C37 H41 Cl4 N3 O8 -","- C148 H164 Cl16 N12 O32 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0845","0.0452","","","0.0797","0.0874","","","","","","0.82","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028540","16.928","0.006","9.845","0.003","31.117","0.011","90","","90","","90","","5186","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28.75 H32 N4 O5 -","- C28.5 H32 N4 O5 -","- C228 H256 N32 O40 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.1867","0.1285","","","0.3529","0.3882","","","","","","1.253","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028541","10.752","0.003","22.282","0.007","12.459","0.004","90","","90.181","0.005","90","","2984.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cl3 N4 O5 -","- C28 H37 Cl3 N4 O5 -","- C112 H148 Cl12 N16 O20 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0862","0.0637","","","0.1825","0.1937","","","","","","1.012","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028542","14.162","0.005","11.289","0.004","33.764","0.011","90","","90","","90","","5398","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C224 H320 N32 O48 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0778","0.0612","","","0.1626","0.1719","","","","","","0.976","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028543","10.152","0.003","17.836","0.005","23.318","0.007","101.848","0.005","93.41","0.005","95.553","0.005","4099","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Cl4 N4 O4 -","- C29 H36 Cl4 N4 O4 -","- C116 H144 Cl16 N16 O16 -","4","2","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0997","0.0566","","","0.1739","0.1882","","","","","","0.972","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028544","8.6888","0.0003","9.189","0.0003","9.4216","0.0003","79.235","0.002","65.4","0.002","78.023","0.002","664.79","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O4 -","- C13 H13 Br N2 O4 -","- C26 H26 Br2 N4 O8 -","2","1","","Mustafa J. Raihan; R. R. Rajawinslin; Veerababurao Kavala; Chun-Wei Kuo; Ting-Shen Kuo; Chiu-Hui He; Hsiu-Ni Huang; Ching-Fa Yao","Halonium Ion Mediated Synthesis of 2-Halomethylene-3-oxoketoxime Derivatives from Isoxazoline N-Oxides","Journal of Organic Chemistry","2013","78","","8872","8879","10.1021/jo401283x","","","0.71073","MoKα","","0.03","0.0243","","","0.0733","0.0982","","","","","","1.264","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028545","12.113","0.002","16.639","0.003","4.8589","0.001","90","","90","","90","","979.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 F6 N3 -","- C8 H3 F6 N3 -","- C32 H12 F24 N12 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.1266","0.1039","","","0.3028","0.3289","","","","","","1.247","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028546","12.571","0.007","20.299","0.011","4.706","0.003","90","","90","","90","","1200.9","1.2","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H4 F4 N8 -","- C10 H4 F4 N8 -","- C40 H16 F16 N32 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.0563","0.0441","","","0.0954","0.1006","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028547","9.024","0.0014","12.568","0.001","21.352","0.0017","90","","104.171","0.001","90","","2347.9","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Sahaj Gupta; Dipankar Koley; Krishnan Ravikumar; Bijoy Kundu","Counter Ion Effect in Au/Ag-Catalyzed Chemoselective 6-endo-dig N- and O-Cyclizations of Enyne-Urea System: Diversity-Oriented Synthesis of Annulated Indoles","Journal of Organic Chemistry","2013","78","","8624","8633","10.1021/jo4013332","","","0.71073","MoKα","","0.0599","0.0477","","","0.1305","0.1426","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028548","6.0699","0.0014","22.271","0.005","17.599","0.004","90","","98.522","0.004","90","","2352.8","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Sahaj Gupta; Dipankar Koley; Krishnan Ravikumar; Bijoy Kundu","Counter Ion Effect in Au/Ag-Catalyzed Chemoselective 6-endo-dig N- and O-Cyclizations of Enyne-Urea System: Diversity-Oriented Synthesis of Annulated Indoles","Journal of Organic Chemistry","2013","78","","8624","8633","10.1021/jo4013332","","","0.71073","MoKα","","0.1474","0.0874","","","0.1542","0.178","","","","","","1.124","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028549","7.7674","0.0001","8.7329","0.0001","8.4874","0.0001","90","","97.962","0.001","90","","570.167","0.012","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0305","0.03","","","0.0804","0.0809","","","","","","1.037","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028550","7.7639","0.0004","8.7343","0.0005","8.4835","0.0004","90","","98.013","0.003","90","","569.67","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0383","0.0363","","","0.091","0.0925","","","","","","1.041","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028551","6.7212","0.0005","16.922","0.002","25.652","0.003","90","","90","","90","","2917.6","0.5","100.3","0.4","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0629","0.0541","","","0.1582","0.1703","","","","","","1.082","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028552","23.5138","0.0007","13.2286","0.0004","9.4729","0.0003","90","","90","","90","","2946.59","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0432","0.0359","","","0.0934","0.0977","","","","","","1.099","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028553","18.0008","0.0018","12.1839","0.0012","14.6705","0.0019","90","","108.737","0.012","90","","3047","0.6","100.05","0.1","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C152 H104 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0594","0.0538","","","0.1482","0.1536","","","","","","1.041","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028554","8.5353","0.0006","14.8828","0.001","11.7854","0.0008","90","","104.911","0.007","90","","1446.68","0.18","100.05","0.1","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C72 H44 N20 -","4","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","0.71073","MoKα","","0.0536","0.0432","","","0.1093","0.1153","","","","","","1.066","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028555","10.02","0.007","10.25","0.007","18.583","0.013","78.568","0.011","87.828","0.011","75.839","0.012","1814","2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl3 N3 O S -","- C42 H36 Cl3 N3 O S -","- C84 H72 Cl6 N6 O2 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.1228","0.0894","","","0.2226","0.2537","","","","","","0.946","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028556","10.0378","0.0009","10.1977","0.0009","10.4509","0.0009","71.289","0.002","72.671","0.002","65.066","0.001","902.18","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Br N2 S -","- C21 H15 Br N2 S -","- C42 H30 Br2 N4 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0529","0.0411","","","0.0982","0.1013","","","","","","0.927","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028557","10.2017","0.0014","12.9072","0.0017","17.458","0.002","85.786","0.002","85.243","0.002","73.689","0.002","2195.6","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20.5 N3.5 S -","- C27 H20.5 N3.5 S -","- C108 H82 N14 S4 -","4","2","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0994","0.0654","","","0.1805","0.2037","","","","","","0.973","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028558","10.3933","0.001","12.6851","0.0012","16.6669","0.0016","97.372","0.002","105.335","0.001","98.675","0.002","2062","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 S2 -","- C25 H18 N2 S2 -","- C100 H72 N8 S8 -","4","2","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0887","0.0495","","","0.1338","0.152","","","","","","1.03","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028559","10.237","0.004","11.233","0.004","15.634","0.005","78.122","0.004","85.747","0.005","79.296","0.005","1727.5","1.1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N4 O2 S2 -","- C42 H34 N4 O2 S2 -","- C84 H68 N8 O4 S4 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0849","0.0719","","","0.1948","0.2038","","","","","","1.021","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028560","5.8778","0.0018","7.415","0.002","9.975","0.003","84.049","0.005","87.505","0.005","77.632","0.004","422.3","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br N2 S -","- C8 H5 Br N2 S -","- C16 H10 Br2 N4 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0574","0.0526","","","0.1373","0.1404","","","","","","1.009","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028561","10.32","0.013","12.289","0.015","16.52","0.02","100.239","0.015","95.243","0.015","94.028","0.016","2045","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 Cl Ir N P2 -","- C49 H39 Cl Ir N P2 -","- C98 H78 Cl2 Ir2 N2 P4 -","2","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0788","0.0513","","","0.1073","0.1181","","","","","","0.998","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028562","9.653","0.003","14.058","0.005","16.31","0.005","87.728","0.004","78.385","0.004","87.118","0.004","2164.2","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 Fe O -","- C29 H24 Fe O -","- C116 H96 Fe4 O4 -","4","2","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.1054","0.0494","","","0.0805","0.0975","","","","","","1.019","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028563","15.39","0.03","6.159","0.013","21.75","0.04","90","","94.94","0.03","90","","2054","7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Fe O2 -","- C26 H24 Fe O2 -","- C104 H96 Fe4 O8 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.1464","0.0773","","","0.1404","0.1589","","","","","","1.048","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028564","6.3952","0.001","7.5982","0.0012","39.534","0.006","90","","91.28","0.002","90","","1920.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0546","0.0433","","","0.1008","0.1063","","","","","","1.073","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028565","6.118","0.0003","11.4661","0.0004","29.4764","0.001","90","","91.952","0.003","90","","2066.56","0.14","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Fe N O2 -","- C27 H21 Fe N O2 -","- C108 H84 Fe4 N4 O8 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.7107","MoKα","","0.0633","0.0442","","","0.0976","0.1053","","","","","","1.042","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028566","29.415","0.004","6.2737","0.0008","10.6309","0.0014","90","","90","","90","","1961.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0489","0.0348","","","0.0725","0.0797","","","","","","1.036","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028567","23","0.007","7.545","0.002","11.657","0.004","90","","90.115","0.004","90","","2022.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Fe N3 -","- C26 H23 Fe N3 -","- C104 H92 Fe4 N12 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0716","0.0405","","","0.0886","0.1015","","","","","","1.037","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028568","12.591","0.0007","12.591","0.0007","43.157","0.005","90","","90","","120","","5925.2","0.8","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37 H49 Cl3 O9 -","- C37 H49 Cl3 O9 -","- C222 H294 Cl18 O54 -","6","0.333333","","Monica Cîrcu; Albert Soran; Niculina Daniela Hădade; Monica Rednic; Anamaria Terec; Ion Grosu","Cryptands with 1,3,5-Tris(1',3'-dioxan-2'-yl)-benzene Units: Synthesis and Structural Investigations","Journal of Organic Chemistry","2013","78","","8722","8729","10.1021/jo401432y","","","0.71073","MoKα","","0.1043","0.0871","","","0.165","0.1734","","","","","","1.15","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028569","11.684","0.004","13.811","0.005","16.664","0.006","106.936","0.012","94.523","0.012","103.162","0.013","2474.2","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H65 N7 O11 -","- C47 H65 N7 O11 -","- C94 H130 N14 O22 -","2","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.1448","0.0853","","","0.2467","0.2988","","","","","","1.048","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028570","20.207","0.0019","16.6727","0.0016","31.039","0.003","90","","90","","90","","10457.2","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H63 Cl2 N8 O16 -","- C47 H63 Cl2 N8 O16 -","- C376 H504 Cl16 N64 O128 -","8","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.0683","0.0477","","","0.1302","0.1482","","","","","","1.09","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028571","14.3205","0.0007","11.8681","0.0006","32.3426","0.0015","90","","113.74","0.002","90","","5031.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H63 Br3 N8 O7 -","- C47 H63 Br3 N8 O7 -","- C188 H252 Br12 N32 O28 -","4","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.1224","0.0795","","","0.1945","0.2172","","","","","","0.972","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028572","13.9515","0.0006","7.4841","0.0003","20.7748","0.0009","90","","98.7267","0.0005","90","","2144.08","0.16","83","2","83","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H56 N4 O10 Si -","- C41 H56 N4 O10 Si -","- C82 H112 N8 O20 Si2 -","2","1","","Salman Y. Jabri; Larry E. Overman","Enantioselective Total Syntheses of Plectosphaeroic Acids B and C","Journal of Organic Chemistry","2013","78","","8766","8788","10.1021/jo4015479","","","0.71073","MoKα","","0.037","0.0358","","","0.0983","0.0993","","","","","","1.048","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028573","7.1493","0.0003","12.2599","0.0005","19.056","0.0008","90","","90","","90","","1670.25","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","","Mani Raj Chaulagain; Albert E. Felten; Kevin Gilbert; Zachary D. Aron","Diastereo- and Enantioselective Three-Component Coupling Approach to Highly Substituted Pyrrolidines","Journal of Organic Chemistry","2013","78","","9471","9476","10.1021/jo401015y","","","1.54178","CuKα","","0.0325","0.0316","","","0.0829","0.084","","","","","","1.057","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028574","7.5169","0.0013","16.51","0.003","13.022","0.002","90","","90","","90","","1616.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang","Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines","Journal of Organic Chemistry","2013","78","","9450","9456","10.1021/jo401018v","","","0.71073","MoKα","","0.0363","0.0314","","","0.0863","0.0904","","","","","","1.028","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028575","4.84198","0.00013","24.6091","0.0006","11.1667","0.0003","90","","97.31","0.003","90","","1319.77","0.06","293.96","0.1","293.96","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang","Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines","Journal of Organic Chemistry","2013","78","","9450","9456","10.1021/jo401018v","","","1.5418","CuKα","","0.0457","0.0426","","","0.1158","0.119","","","","","","1.066","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028576","10.5211","0.0006","19.7827","0.0012","11.4336","0.0005","90","","115.473","0.003","90","","2148.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0854","0.0476","","","0.1138","0.1294","","","","","","0.94","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028577","7.4176","0.0002","9.5552","0.0002","10.6426","0.0003","73.5374","0.0012","71.7067","0.0012","89.4121","0.0015","684.26","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O3 S3 -","- C12 H14 N2 O3 S3 -","- C24 H28 N4 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0321","0.0265","","","0.0713","0.0733","","","","","","1.053","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028578","24.7995","0.0005","9.1854","0.0002","15.9469","0.0004","90","","90.6521","0.0012","90","","3632.36","0.14","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O3 S3 -","- C18 H18 N2 O3 S3 -","- C144 H144 N16 O24 S24 -","8","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.1048","0.0392","","","0.0648","0.075","","","","","","0.844","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028579","7.6137","0.0002","10.2745","0.0002","12.3735","0.0004","102.081","0.0011","93.9533","0.001","107.418","0.0011","894.08","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O3 S3 -","- C18 H15 N3 O3 S3 -","- C36 H30 N6 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0495","0.0338","","","0.0801","0.0848","","","","","","0.968","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028580","10.2872","0.0003","10.4831","0.0004","11.0788","0.0004","82.6096","0.0016","85.8594","0.0014","80.255","0.003","1166.18","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N4 O3 S2 -","- C25 H22 N4 O3 S2 -","- C50 H44 N8 O6 S4 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0594","0.0391","","","0.0932","0.0994","","","","","","1.009","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028581","8.6438","0.0004","20.1707","0.0011","12.4655","0.0007","90","","110.431","0.003","90","","2036.66","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O4 S2 -","- C21 H23 N3 O4 S2 -","- C84 H92 N12 O16 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.1473","0.0508","","","0.0767","0.0918","","","","","","0.813","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028582","8.2612","0.0003","11.53","0.0004","11.621","0.0005","118.884","0.002","101.288","0.002","97.331","0.002","918.11","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O3 S3 -","- C18 H18 N2 O3 S3 -","- C36 H36 N4 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.059","0.0415","","","0.1146","0.1228","","","","","","1.069","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028583","7.2005","0.0002","7.8115","0.0002","14.1006","0.0004","82.8219","0.0018","87.622","0.002","81.448","0.002","777.93","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O3 S2 -","- C16 H14 N2 O3 S2 -","- C32 H28 N4 O6 S4 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0558","0.0364","","","0.0905","0.0974","","","","","","1.011","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028584","12.106","0.0004","26.2262","0.0009","5.0256","0.0001","90","","90","","90","","1595.6","0.08","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 O3 S2 -","- C17 H13 N3 O3 S2 -","- C68 H52 N12 O12 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0351","0.0298","","","0.0709","0.0725","","","","","","1.034","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028585","10.1559","0.0002","9.6338","0.0001","26.2933","0.0006","90","","111.841","0.001","90","","2387.88","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N2 O3 S2 -","- C25 H32 N2 O3 S2 -","- C100 H128 N8 O12 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0514","0.0371","","","0.0974","0.1029","","","","","","1.061","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028586","8.638","0.001","11.502","0.001","9.89","0.001","90","","101.376","0.002","90","","963.31","0.17","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-bis(pentyliminomethyl)-2,6-dihydroxynaphthalene","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C44 H60 N4 O4 -","2","0.5","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","1.54184","CuKα","","0.0536","0.0519","","","0.1354","0.1389","","","","","","1.069","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028587","49.85","0.05","4.657","0.005","10.848","0.011","90","","99.408","0.014","90","","2485","4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,5-bis(octyliminomethyl)-2,6-dihydroxynaphthalene","","","- C28 H42 N2 O2 -","- C28 H42 N2 O2 -","- C112 H168 N8 O8 -","4","0.5","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","0.71075","MoKα","","0.0814","0.0534","","","0.1312","0.1569","","","","","","1.083","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028588","9.168","0.001","10.975","0.001","11.722","0.001","65.579","0.002","70.746","0.002","70.183","0.002","985.28","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","1,5-bis(benzyliminomethyl)-2,6-dihydroxynaphthalene","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","1.54184","CuKα","","0.0946","0.088","","","0.3532","0.3657","","","","","","1.826","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028589","6.0534","0.0001","9.3596","0.0002","31.6166","0.0005","90","","90","","90","","1791.31","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Stephen Hanessian; Benjamin R. Schroeder; Bradley L. Merner; Bin Chen; Eric E. Swayze; Punit P. Seth","Synthesis of cis- and trans-α-l-[4.3.0]Bicyclo-DNA Monomers for Antisense Technology: Methods for the Diastereoselective Formation of Bicyclic Nucleosides","Journal of Organic Chemistry","2013","78","","9051","9063","10.1021/jo401166q","","","1.54178","CuKα","","0.036","0.0334","","","0.0888","0.0906","","","","","","1.06","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028590","7.6328","0.0004","14.1459","0.0006","41.464","0.0019","90","","90","","90","","4477","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 Si -","- C19 H30 N2 O6 Si -","- C152 H240 N16 O48 Si8 -","8","2","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.1167","0.0763","","","0.2149","0.2389","","","","","","1.017","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028591","6.4711","0.0004","9.5163","0.0006","27.7291","0.0017","90","","90","","90","","1707.58","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.0354","0.0338","","","0.0963","0.0977","","","","","","1.075","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028592","5.9908","0.0001","21.9862","0.0006","13.158","0.0004","90","","94.8749","0.001","90","","1726.84","0.08","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H46 O8 -","- C41 H46 O8 -","- C82 H92 O16 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.065","0.049","","","0.086","0.094","","","","","","1.061","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028593","11.2106","0.0003","6.3133","0.0002","28.577","0.001","90","","96.8071","0.0012","90","","2008.3","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.081","0.057","","","0.093","0.103","","","","","","1.104","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028594","8.561","0.004","9.81","0.004","11.971","0.006","111","0.04","101.05","0.05","98.38","0.04","895.6","0.8","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H17 N3 O3 -","- C22 H17 N3 O3 -","- C44 H34 N6 O6 -","2","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.121","0.05","","","0.1156","0.1377","","","","","","0.944","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028595","10.3682","0.0013","20.31","0.005","10.8183","0.0013","90","","103.339","0.018","90","","2216.6","0.7","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl3 N5 O3 -","- C21 H16 Cl3 N5 O3 -","- C84 H64 Cl12 N20 O12 -","4","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.179","0.085","","","0.2324","0.2856","","","","","","1.266","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028596","15.162","0.009","8.812","0.002","16.235","0.009","90","","95.4","0.05","90","","2159.5","1.8","200","2","200","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.1645","0.06","","","0.1207","0.149","","","","","","0.941","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028597","3.827","0.0004","19.9545","0.0012","8.9557","0.0006","90","","90.672","0.006","90","","683.86","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C34 H24 F2 N2 O6 -","2","1","","Shugao Zhu; Luling Wu; Xian Huang","Gold-Catalyzed Cyclization of 3-(2'-Azidoaryl)-1-arylpropargyl Carbonates or 3-Aryl-1-(2'-azidoaryl)propargyl Carbonates to Produce Quinolines","Journal of Organic Chemistry","2013","78","","9120","9126","10.1021/jo401324k","","","0.71073","MoKα","","0.0634","0.0404","","","0.0737","0.0843","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028598","11.74","0.0005","7.1758","0.0003","13.2748","0.0007","90","","92.215","0.004","90","","1117.49","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F N O -","- C15 H10 F N O -","- C60 H40 F4 N4 O4 -","4","1","","Shugao Zhu; Luling Wu; Xian Huang","Gold-Catalyzed Cyclization of 3-(2'-Azidoaryl)-1-arylpropargyl Carbonates or 3-Aryl-1-(2'-azidoaryl)propargyl Carbonates to Produce Quinolines","Journal of Organic Chemistry","2013","78","","9120","9126","10.1021/jo401324k","","","0.71073","MoKα","","0.042","0.0348","","","0.0918","0.0968","","","","","","1.049","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028599","6.03","0.006","7.997","0.007","39.32","0.04","90","","90","","90","","1896","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-phenylglycinol salt of (+)-Trans-(1R,2R,5S)-3-(tert-butoxy- carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Bettina Bakonyi; Markus Furegati; Christian Kramer; Luigi La Vecchia; Flavio Ossola","Synthesis of All Four Stereoisomers of 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid","Journal of Organic Chemistry","2013","78","","9328","9339","10.1021/jo4013282","","","1.54178","CuKα","","0.0323","0.0318","","","0.0802","0.0805","","","","","","1.102","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028600","10.3442","0.0003","29.4631","0.0008","11.8597","0.0003","90","","105.406","0.002","90","","3484.63","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N3 Pd -","- C42 H37 N3 Pd -","- C168 H148 N12 Pd4 -","4","1","","Timothy D. Lash; Ashley M. Toney; Kylie M. Castans; Gregory M. Ferrence","Synthesis of Benziporphyrins and Heterobenziporphyrins and an Assessment of the Diatropic Characteristics of the Protonated Species","Journal of Organic Chemistry","2013","78","","9143","9152","10.1021/jo401365p","","","0.71073","MoKα","","0.0851","0.0467","","","","0.0929","","","","","","1.023","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028601","6.4739","0.0006","15.5769","0.0015","18.5242","0.0017","90","","90","","90","","1868","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Benito Alcaide; Pedro Almendros; Teresa Martínez del Campo; M. Rosario Torres","Synthesis of Fused-β-Lactams through Selective Gold-Catalyzed Oxycyclization of Dioxolane-Tethered Enynes","Journal of Organic Chemistry","2013","78","","8956","8965","10.1021/jo401390k","","","0.71073","MoKα","","0.135","0.0393","","","0.0798","0.1004","","","","","","0.998","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028602","7.5027","0.0002","20.0377","0.0006","8.6994","0.0003","90","","104.153","0.0005","90","","1268.14","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N5 O6 -","- C24 H35 N5 O6 -","- C48 H70 N10 O12 -","2","1","","Olga I. Shmatova; Valentine G. Nenajdenko","Synthesis of Tetrazole-Derived Organocatalysts via Azido-Ugi Reaction with Cyclic Ketimines","Journal of Organic Chemistry","2013","78","","9214","9222","10.1021/jo401428q","","","0.71073","MoKα","","0.0311","0.0289","","","0.0738","0.0755","","","","","","1.035","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028603","11.462","0.006","5.423","0.003","12.416","0.005","90","","101.315","0.013","90","","756.8","0.7","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br F3 O2 -","- C16 H16 Br F3 O2 -","- C32 H32 Br2 F6 O4 -","2","1","","Alyn T. Davies; James E. Taylor; James Douglas; Christopher J. Collett; Louis C. Morrill; Charlene Fallan; Alexandra M. Z. Slawin; Gwydion Churchill; Andrew D. Smith","Stereospecific Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Redox Synthesis of Trifluoromethyl Dihydropyranones and Mechanistic Insights","Journal of Organic Chemistry","2013","78","","9243","9257","10.1021/jo401433q","","","0.71075","MoKα","","","0.0456","","","","0.1091","","","","","","0.805","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028604","9.411","0.015","6.155","0.009","12.59","0.019","90","","104.26","0.03","90","","706.8","1.9","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 F N O S -","- C14 H20 F N O S -","- C28 H40 F2 N2 O2 S2 -","2","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.1352","0.0534","","","0.0749","0.0925","","","","","","0.796","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028605","9.0663","0.0017","10.2171","0.0019","17.358","0.003","90","","90","","90","","1607.9","0.5","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O S -","- C16 H25 N O S -","- C64 H100 N4 O4 S4 -","4","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.0564","0.0407","","","0.0931","0.1036","","","","","","1.019","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028606","16.0473","0.0006","8.2489","0.0003","28.1693","0.0011","90","","90","","90","","3728.8","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N6 S2 -","- C18 H18 N6 S2 -","- C144 H144 N48 S16 -","8","1","","Andréanne Bolduc; Abelaziz Al Ouahabi; Charlotte Mallet; W. G. Skene","Insight into the Isoelectronic Character of Azomethines and Vinylenes Using Representative Models: A Spectroscopic and Electrochemical Study","Journal of Organic Chemistry","2013","78","","9258","9269","10.1021/jo401497z","","","1.54178","CuKα","","0.0651","0.0541","","","0.1413","0.1467","","","","","","1.009","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028607","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028608","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028609","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028610","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028611","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028612","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028613","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028614","5.8548","0.0008","17.17","0.002","22.895","0.003","90","","90","","90","","2301.6","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.063","0.0582","","","0.1246","0.1281","","","","","","1.005","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028615","9.5257","0.001","10.0665","0.0011","24.832","0.003","90","","90","","90","","2381.2","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0481","0.0431","","","0.1145","0.1175","","","","","","1.024","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028616","8.585","0.008","8.79","0.008","12.585","0.011","89.579","0.012","82.776","0.011","67.638","0.01","870.5","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H47 N O11 -","- C38 H47 N O11 -","- C38 H47 N O11 -","1","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0777","0.0704","","","0.1957","0.2114","","","","","","1.039","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028617","19.0813","0.001","20.9562","0.0011","27.535","0.0013","69.762","0.004","81.598","0.004","74.116","0.005","9920.1","0.9","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C114 H136 O8 S4 -","- C113.35 H107 O8 S4 -","- C453.4 H428 O32 S16 -","4","2","","Hemant Gopee; Xiangfei Kong; Zhiqun He; Isabelle Chambrier; David L. Hughes; Graham J. Tizzard; Simon J. Coles; Andrew N. Cammidge","Expanded Porphyrin-like Structures Based on Twinned Triphenylenes","Journal of Organic Chemistry","2013","78","","9505","9511","10.1021/jo401551c","","","0.71073","Mo-Kα","","0.2002","0.1344","","","0.349","0.3962","","","","","","1.295","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028618","13.0439","0.0014","14.4112","0.0016","14.9721","0.0016","85.365","0.007","80.789","0.007","89.884","0.006","2768.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126.66 H154.64 F8 N4 O10.66 -","- C126.66 H154.64 F8 N4 O10.66 -","- C126.66 H154.64 F8 N4 O10.66 -","1","0.5","","Hemant Gopee; Xiangfei Kong; Zhiqun He; Isabelle Chambrier; David L. Hughes; Graham J. Tizzard; Simon J. Coles; Andrew N. Cammidge","Expanded Porphyrin-like Structures Based on Twinned Triphenylenes","Journal of Organic Chemistry","2013","78","","9505","9511","10.1021/jo401551c","","","0.71075","MoKα","","0.2232","0.0835","","","0.1496","0.2041","","","","","","0.932","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028619","8.4971","0.0012","15.548","0.002","22.387","0.003","90","","100.734","0.003","90","","2905.9","0.7","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N2 S3 -","- C12 H20 N2 S3 -","- C96 H160 N16 S24 -","8","2","","Brandon Djukic; Alan J. Lough; Dwight S. Seferos","A Highly Electron-Deficient Analogue of Aniline, Soluble Oligomers, and Their Redox Properties","Journal of Organic Chemistry","2013","78","","9340","9344","10.1021/jo401565f","","","0.71073","MoKα","","0.0946","0.06","","","0.1363","0.155","","","","","","1.027","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028620","35.432","0.007","13.899","0.003","5.4329","0.0013","90","","91.627","0.005","90","","2674.5","1","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H28 N2 O S -","- C9 H14 N2 O S -","- C72 H112 N16 O8 S8 -","8","1","","Brandon Djukic; Alan J. Lough; Dwight S. Seferos","A Highly Electron-Deficient Analogue of Aniline, Soluble Oligomers, and Their Redox Properties","Journal of Organic Chemistry","2013","78","","9340","9344","10.1021/jo401565f","","","0.71073","MoKα","","0.0727","0.0554","","","0.1586","0.167","","","","","","1.189","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028621","9.477","0.004","8.93","0.004","19.082","0.008","90","","92.506","0.008","90","","1613.4","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","1","","Bin Li; Jianfeng Ma; Weijia Xie; Haibin Song; Shansheng Xu; Baiquan Wang","Ruthenium-Catalyzed Regioselective C2 Alkenylation of Indoles and Pyrroles via C-H Bond Functionalization","Journal of Organic Chemistry","2013","78","","9345","9353","10.1021/jo401579m","","","0.71073","MoKα","","0.0558","0.0459","","","0.1041","0.1099","","","","","","1.085","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028622","9.293","0.007","9.394","0.007","9.908","0.007","100.73","","114.079","0.01","108.951","0.009","694.2","0.9","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","","Bin Li; Jianfeng Ma; Weijia Xie; Haibin Song; Shansheng Xu; Baiquan Wang","Ruthenium-Catalyzed Regioselective C2 Alkenylation of Indoles and Pyrroles via C-H Bond Functionalization","Journal of Organic Chemistry","2013","78","","9345","9353","10.1021/jo401579m","","","0.71073","MoKα","","0.0645","0.0366","","","0.079","0.0855","","","","","","1.014","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028623","6.0255","0.0003","16.0531","0.0009","11.7146","0.0006","90","","90.119","0.002","90","","1133.13","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Mei-Xin Zhao; Hong-Lei Bi; Hao Zhou; Hui Yang; Min Shi","Cinchona Alkaloid Squaramide Catalyzed Enantioselective Hydrazination/Cyclization Cascade Reaction of α-Isocyanoacetates and Azodicarboxylates: Synthesis of Optically Active 1,2,4-Triazolines","Journal of Organic Chemistry","2013","78","","9377","9382","10.1021/jo401585v","","","0.71073","MoKα","","0.0671","0.0577","","","0.152","0.1613","","","","","","1.051","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028624","16.8589","0.0008","5.7629","0.0002","17.1929","0.0008","90","","97.666","0.003","90","","1655.47","0.12","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C76 H72 Cl4 N12 O4 -","4","1","","Takahiro Sawano; Keiyu Ou; Takahiro Nishimura; Tamio Hayashi","Cobalt-Catalyzed Asymmetric Addition of Silylacetylenes to 1,1-Disubstituted Allenes","Journal of Organic Chemistry","2013","78","","8986","8993","10.1021/jo401604n","","","1.54187","CuKα","","0.1483","0.0734","","","0.1445","0.2062","","","","","","1.087","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028625","10.2955","0.0019","21.256","0.004","8.892","0.0017","90","","91.858","0.005","90","","1944.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O6 -","- C23 H19 N O6 -","- C92 H76 N4 O24 -","4","1","","Yu-Jin Li; Huan-Ming Huang; Hua-Qing Dong; Jian-Hong Jia; Liang Han; Qing Ye; Jian-Rong Gao","The Synthesis of Benzo[f]isoindole-1,3-dicarboxylates via an I2-Induced 1,3-Dipolar Cycloaddition Reaction","Journal of Organic Chemistry","2013","78","","9424","9430","10.1021/jo401652k","","","0.71073","MoKα","","0.078","0.0489","","","0.1367","0.1605","","","","","","1.067","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028626","6.079","0.002","27.279","0.01","41.157","0.015","90","","90","","90","","6825","4","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","frojc03","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C312 H348 N12 O60 -","12","3","","Jennifer Ciesielski; Vincent Gandon; Alison J. Frontier","Cascade Cyclizations of Acyclic and Macrocyclic Alkynones: Studies toward the Synthesis of Phomactin A","Journal of Organic Chemistry","2013","78","","9541","9552","10.1021/jo4007514","","","0.71073","MoKα","","0.1624","0.0642","","","0.0973","0.1257","","","","","","1.004","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028627","11.4553","0.0002","8.5264","0.0001","16.0262","0.0003","90","","104.796","0.001","90","","1513.41","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Sandra Milosevic; Antonio Togni","Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos","Journal of Organic Chemistry","2013","78","","9638","9646","10.1021/jo401247d","","","0.71073","MoKα","","0.0639","0.0428","","","0.1001","0.1089","","","","","","1.017","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028628","19.3207","0.0008","19.3207","0.0008","8.1719","0.0005","90","","90","","120","","2641.8","0.2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C114 H96 Br6 N18 O6 -","6","1","","Sandra Milosevic; Antonio Togni","Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos","Journal of Organic Chemistry","2013","78","","9638","9646","10.1021/jo401247d","","","0.71073","MoKα","","0.0421","0.0328","","","0.0718","0.0742","","","","","","1.049","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028629","8.3131","0.0013","13.596","0.002","15.136","0.002","90","","90","","90","","1710.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun","Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","9738","9747","10.1021/jo401364s","","","0.71073","MoKα","","0.0419","0.0334","","","0.0797","0.0839","","","","","","1.082","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028630","11.0066","0.0007","10.7812","0.0006","17.4741","0.001","90","","96.936","0.001","90","","2058.4","0.2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun","Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","9738","9747","10.1021/jo401364s","","x-ray","0.71073","MoKα","","0.05","0.0424","","","0.1351","0.1422","","","","","","1.399","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028631","17.627","0.004","16.321","0.004","5.5951","0.0012","90","","90","","90","","1609.7","0.6","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Estela Álvarez; Patricia García-García; Manuel A. Fernández-Rodríguez; Roberto Sanz","Regioselective Synthesis of Elusive 4,9-Dihydro-1H-Carbazoles by Gold-Catalyzed Cycloisomerization of 3-Allenylmethylindoles","Journal of Organic Chemistry","2013","78","","9758","9771","10.1021/jo401388b","","","0.71073","MoKα","","0.0359","0.0337","","","0.0803","0.0828","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028632","16.1213","0.0019","9.1571","0.0011","16.935","0.002","90","","98.899","0.002","90","","2469.9","0.5","90","2","90","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0708","0.0695","","","0.185","0.1862","","","","","","1.211","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028633","9.6333","0.0011","35.622","0.004","10.5239","0.0012","90","","93.74","0.002","90","","3603.7","0.7","90","0.2","90","0.2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","","","- C59 H95 Cl9 N10 O13 -","- C59 H95 Cl9 N10 O13 -","- C118 H190 Cl18 N20 O26 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0385","0.0377","","","0.1017","0.1022","","","","","","1.028","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028634","16.235","0.002","9.2834","0.0012","17.084","0.002","90","","98.923","0.002","90","","2543.7","0.5","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0538","0.0475","","","0.1309","0.1347","","","","","","1.035","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028635","7.4578","0.0007","9.7077","0.0008","50.505","0.004","90","","90","","90","","3656.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl0 N2 O2 -","- C9.06667 H19.2 Cl0.533333 N0.533333 -","- C136 H288 Cl8 N8 -","15","3.75","","Veerle Smout; Aldo Peschiulli; Stefan Verbeeck; Emily A. Mitchell; Wouter Herrebout; Patrick Bultinck; Christophe M. L. Vande Velde; Didier Berthelot; Lieven Meerpoel; Bert U. W. Maes","Removal of the Pyridine Directing Group from α-Substituted N-(Pyridin-2-yl)piperidines Obtained via Directed Ru-Catalyzed sp3 C-H Functionalization","Journal of Organic Chemistry","2013","78","","9803","9814","10.1021/jo401521y","","","0.71073","MoKα","","0.0679","0.0519","","","0.1166","0.1274","","","","","","1.063","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028636","10.5263","0.0012","8.212","0.001","31.305","0.004","90","","97.253","0.002","90","","2684.4","0.6","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O8 -","- C28 H35 Cl N2 O8 -","- C112 H140 Cl4 N8 O32 -","4","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1529","0.0658","","","0.142","0.1663","","","","","","0.99","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028637","6.536","0.001","15.092","0.002","16.092","0.003","114.521","0.003","99.953","0.003","93.66","0.003","1406.1","0.4","120","0.2","120","0.2","","","","","","","","5","P 1","P 1","1","","","","- C29 H37 I N2 O4 -","- C29 H37 I N2 O4 -","- C58 H74 I2 N4 O8 -","2","2","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0679","0.0619","","","0.149","0.1521","","","","","","1.091","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028638","9.0052","0.0008","10.7537","0.0009","13.4745","0.0012","85.777","0.003","84.127","0.003","85.136","0.003","1290.6","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 I N2 O5 -","- C25 H35 I N2 O5 -","- C50 H70 I2 N4 O10 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0849","0.0584","","","0.1583","0.1713","","","","","","1.043","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028639","8.9466","0.0008","10.8772","0.0009","13.6319","0.0012","85.65","0.005","84.387","0.005","85.205","0.005","1312.5","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 Cl N2 O9 -","- C25 H35 Cl N2 O9 -","- C50 H70 Cl2 N4 O18 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1807","0.0813","","","0.1898","0.2245","","","","","","0.902","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028640","9.0412","0.0003","20.3132","0.0006","17.2983","0.0005","90","","101.284","0.001","90","","3115.52","0.17","120","0.2","120","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Cl2 Li N2 O13 S -","- C26 H35 Cl2 Li N2 O13 S -","- C104 H140 Cl8 Li4 N8 O52 S4 -","4","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0638","0.044","","","0.1115","0.1196","","","","","","1.046","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028641","8.7392","0.0008","12.4179","0.0011","17.0087","0.0015","75.226","0.004","80.385","0.004","84.548","0.004","1757.1","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 Ba Cl3 N2 O18 S -","- C26 H37 Ba Cl3 N2 O18 S -","- C52 H74 Ba2 Cl6 N4 O36 S2 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1734","0.0885","","","0.1862","0.2162","","","","","","0.916","","","","has coordinates,has disorder","189187","2020-10-21","18:00:00",""
"4028642","7.091","0.0009","14.0438","0.0015","17.133","0.002","98.366","0.01","93.94","0.007","94.9","0.006","1676.2","0.3","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Cl2 Li N2 O14 -","- C30 H41 Cl2 Li N2 O14 -","- C60 H82 Cl4 Li2 N4 O28 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","1.54178","CuKα","","0.1819","0.1717","","","0.4619","0.4658","","","","","","1.18","","","","has coordinates","189187","2020-10-21","18:00:00",""
"4028643","8.3396","0.0006","9.657","0.0008","21.7107","0.0017","94.045","0.004","99.674","0.004","100.827","0.004","1683.5","0.2","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N2 Na O13 -","- C30 H39 Cl2 N2 Na O13 -","- C60 H78 Cl4 N4 Na2 O26 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1726","0.1069","","","0.2009","0.2193","","","","","","1.098","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028644","8.8035","0.0003","9.5442","0.0003","23.1098","0.0008","90.879","0.002","98.589","0.002","115.328","0.002","1728.57","0.11","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 K N2 O13.5 -","- C30 H40 Cl2 K N2 O13.5 -","- C60 H80 Cl4 K2 N4 O27 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.166","0.0964","","","0.2698","0.3077","","","","","","1.074","","","","has coordinates,has disorder","189187","2020-10-21","18:00:00",""
"4028645","8.2473","0.0002","10.037","0.0002","13.0591","0.0002","69.311","0.0012","79.7077","0.0014","70.2086","0.0012","949.42","0.03","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C9 H9 Br O4 -","- C9 H9 Br O4 -","- C36 H36 Br4 O16 -","4","2","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.0368","0.0298","","0.076","0.0717","0.076","","","","","","1.0162","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028646","8.5088","0.0007","15.6234","0.0015","18.1523","0.0013","112.714","0.004","95.776","0.005","104.045","0.004","2107.9","0.3","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C20 H30 O4 Si -","- C20 H30 O4 Si -","- C80 H120 O16 Si4 -","4","2","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.1945","0.0876","","0.2514","0.1886","0.2514","","","","","","0.9392","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028647","12.7674","0.0003","6.7691","0.0002","16.1154","0.0005","90","","99.797","0.002","90","","1372.44","0.07","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.073","0.0554","","0.1298","0.1209","0.1298","","","","","","1.0458","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028648","10.878","0.002","9.082","0.0018","16.052","0.003","90","","105.74","0.03","90","","1526.4","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C68 H112 O8 -","4","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.0459","0.038","","","0.097","0.1015","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028649","6.327","0.0013","16.604","0.003","16.389","0.003","90","","96.42","0.03","90","","1710.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.1897","0.0498","","","0.0558","0.0867","","","","","","0.71","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028650","6.715","0.0013","11.402","0.002","13.724","0.003","86.58","0.03","86.95","0.03","74.18","0.03","1008.4","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.1318","0.0554","","","0.1337","0.235","","","","","","0.937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028651","16.3251","0.0004","6.732","0.0002","21.6139","0.0005","90","","90","","90","","2375.38","0.11","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C120 H80 N32 -","8","1","","Styliana I. Mirallai; Manolis J. Manos; Panayiotis A. Koutentis","One-Step Conversion of 2-Amino-N'-arylbenzamidines into 3-Aryl-4-imino-3,4-dihydroquinazoline-2-carbonitriles Using 4,5-Dichloro-1,2,3-dithiazolium Chloride","Journal of Organic Chemistry","2013","78","","9906","9913","10.1021/jo401648t","","","0.71073","MoKα","","0.0425","0.0363","","","0.1096","0.1119","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028652","14.026","0.003","13.368","0.003","8.2002","0.0016","90","","103.569","0.003","90","","1494.6","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I N O5 -","- C14 H14 I N O5 -","- C56 H56 I4 N4 O20 -","4","1","","Anthony J. Pearson; Santanu Panda; Scott D. Bunge","Synthesis of a Potential Intermediate for TMC-95A via an Organocatalyzed Aldol Reaction","Journal of Organic Chemistry","2013","78","","9921","9928","10.1021/jo4017315","","","0.71073","MoKα","","0.0628","0.0592","","","0.2111","0.2162","","","","","","1.873","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028653","8.615","0.0007","10.6071","0.0009","11.8897","0.001","90","","90","","90","","1086.48","0.16","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Br N -","- C10 H18 Br N -","- C40 H72 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0225","0.0214","","","0.0573","0.0581","","","","","","1.062","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028654","6.5683","0.0016","13.156","0.003","13.674","0.003","90","","90","","90","","1181.6","0.5","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br N -","- C11 H20 Br N -","- C44 H80 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0349","0.0295","","","0.0718","0.0737","","","","","","1.093","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028655","12.268","0.001","12.573","0.0008","18.1872","0.0011","88.879","0.005","77.687","0.006","63.913","0.007","2452.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cl6 N6 O2 Zn -","- C54 H38 Cl6 N6 O2 Zn -","- C108 H76 Cl12 N12 O4 Zn2 -","2","1","","Liguo Yang; Yang Zhou; Mengliang Zhu; Luyang Zhao; Liye Wei; Yongzhong Bian","Stereochemistry and Solid-State Structure of an Intrinsically Chiral Meso-Patterned Porphyrin: Case Study by NMR and Single-Crystal X-ray Diffraction Analysis","Journal of Organic Chemistry","2013","78","","9949","9955","10.1021/jo401825k","","","1.54178","CuKα","","0.1106","0.0925","","","0.2593","0.2754","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028656","18.721","0.003","13.4029","0.0011","20.59","0.003","90","","115.365","0.017","90","","4668.3","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H40 Cl3 N5 O4 Zn -","- C53 H40 Cl3 N5 O4 Zn -","- C212 H160 Cl12 N20 O16 Zn4 -","4","2","","Liguo Yang; Yang Zhou; Mengliang Zhu; Luyang Zhao; Liye Wei; Yongzhong Bian","Stereochemistry and Solid-State Structure of an Intrinsically Chiral Meso-Patterned Porphyrin: Case Study by NMR and Single-Crystal X-ray Diffraction Analysis","Journal of Organic Chemistry","2013","78","","9949","9955","10.1021/jo401825k","","","0.71073","MoKα","","0.1872","0.0866","","","0.136","0.1661","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028657","8.3822","0.0002","10.6016","0.0002","12.8429","0.0003","90","","90.375","0.002","90","","1141.26","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 O P -","- C14 H13 O P -","- C56 H52 O4 P4 -","4","2","","Damien J. Carr; Jaya Satyanarayana Kudavalli; Katherine S. Dunne; Helge Müller-Bunz; Declan G. Gilheany","Synthesis of 2,3-Dihydro-1-phenylbenzo[b]phosphole (1-Phenylphosphindane) and Its Use as a Mechanistic Test in the Asymmetric Appel Reaction: Decisive Evidence against Involvement of Pseudorotation in the Stereoselecting Step","Journal of Organic Chemistry","2013","78","","10500","10505","10.1021/jo401318g","","","0.71073","MoKα","","0.0344","0.0314","","","0.068","0.0704","","","","","","1.062","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028658","9.373","0.003","12.019","0.004","13.078","0.004","108.637","0.005","95.801","0.006","95.605","0.004","1375.6","0.8","100","2","100","2","","","101.325","","","","University Of Vienna, Department of Analytical Chemistry","6","P -1","-P 1","2","","Methylhydrogen[2-({2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl}amino) propane-2-yl]phosphonate","","- C24 H39 N2 O6 P S2 -","- C24 H39 N2 O6 P S2 -","- C48 H78 N4 O12 P2 S4 -","2","1","","Andrea F. G. Gargano; Stefanie Buchinger; Michal Kohout; Wolfgang Lindner; Michael Lämmerhofer","Single-Step Ugi Multicomponent Reaction for the Synthesis of Phosphopeptidomimetics","Journal of Organic Chemistry","2013","78","","10077","10087","10.1021/jo401372x","","x-ray","0.71073","","","0.1056","0.0691","","","0.1179","0.132","","","","","","1.093","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028659","10.433","0.005","24.96","0.005","8.832","0.005","90","","93.07","0.005","90","","2296.6","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rohanester","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dattatraya H. Dethe; Rohan D. Erande; Alok Ranjan","Biomimetic Total Syntheses of Borreverine and Flinderole Alkaloids","Journal of Organic Chemistry","2013","78","","10106","10120","10.1021/jo4013833","","","0.71069","MoKα","","0.0556","0.0451","","","0.1127","0.121","","","","","","1.042","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028660","16.964","0.003","5.8359","0.001","12.553","0.002","90","","99.922","0.002","90","","1224.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C68 H44 F4 O8 -","4","1","","Yan He; Xinying Zhang; Nana Shen; Xuesen Fan","Tunable Synthesis of 3-Acyl-2-naphthols and 3-Substituted Isocoumarins via Jones Reagent Promoted Cascade Reactions of 2-(4-Hydroxy-but-1-ynyl)benzaldehydes","Journal of Organic Chemistry","2013","78","","10178","10191","10.1021/jo401502k","","","0.71073","MoKα","","0.0577","0.0382","","","0.0859","0.0979","","","","","","1.043","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028661","9.5226","0.0007","7.2796","0.0006","14.9337","0.0011","90","","98.656","0.003","90","","1023.42","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C50 H46 N2 O10 -","2","1","","Zhijie Mao; Aijun Lin; Yan Shi; Haibin Mao; Weipeng Li; Yixiang Cheng; Chengjian Zhu","Chiral Tertiary Amine Thiourea-Catalyzed Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of Chromone Heterodienes Using 3-Vinylindoles as Dienophiles","Journal of Organic Chemistry","2013","78","","10233","10239","10.1021/jo401592w","","","1.54178","CuKα","","0.0321","0.0316","","","0.0875","0.0881","","","","","","1.063","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028662","11.9456","0.0011","12.2757","0.0012","18.78","0.002","90","","90","","90","","2753.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","1.54187","CuKα","","0.0737","0.0683","","","0.1403","0.1499","","","","","","1.085","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028663","6.8519","0.0015","13.52","0.003","14.696","0.003","90","","90","","90","","1361.4","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","0.71073","MoKα","","0.0362","0.032","","","0.071","0.0723","","","","","","1.037","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028664","10.0155","0.0009","12.2702","0.0011","17.6705","0.0015","90","","98.496","0","90","","2147.7","0.3","293","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-diphenyl-4-(phenylethynyl)-3,4-dihydroquinazoline.","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","2","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0311","0.0291","","","0.0752","0.0773","","","","","","1.101","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028665","11.7756","0.0007","14.3426","0.0008","18.5462","0.0011","90","","90","","90","","3132.3","0.3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(5-nitro-1H-indol-3-yl)-2,3-diphenyl-3,4-dihydroquinazoline","","- C30 H22 Cl6 N4 O2 -","- C30 H22 Cl6 N4 O2 -","- C120 H88 Cl24 N16 O8 -","4","1","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0939","0.0797","","","0.2195","0.2342","","","","","","1.035","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028666","9.7121","0.0011","14.0265","0.0015","18.387","0.002","102.35","0.002","105.074","0.002","107.157","0.002","2193.4","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-diphenyl-3,4-dihydroquinazolin-4-yl)-1-phenylethanone","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","2","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0684","0.0432","","","0.1083","0.1251","","","","","","1.016","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028667","15.6578","0.0002","9.2645","0.0001","26.7527","0.0003","90","","141.126","0.001","90","","2435.62","0.07","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C84 H152 N4 O20 P4 -","4","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.081","0.0623","","","0.1645","0.1805","","","","","","1.032","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028668","8.5099","0.0002","10.6736","0.0003","14.6871","0.0005","93.028","0.001","105.023","0.001","92.048","0.002","1284.96","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H40 N O5 P -","- C22 H40 N O5 P -","- C44 H80 N2 O10 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.114","0.0678","","","0.1512","0.1784","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028669","8.5111","0.0002","11.5511","0.0003","14.0074","0.0004","90.043","0.0008","97.5179","0.0009","103.211","0.002","1328.46","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C46 H80 N2 O12 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.0883","0.0624","","","0.1737","0.2046","","","","","","1.141","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028670","11.6028","0.0006","33.574","0.002","12.8315","0.0008","90","","99.94","0.002","90","","4923.5","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C168 H304 N8 O40 P8 -","8","2","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.3037","0.1465","","","0.3201","0.421","","","","","","1.047","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028671","8.1829","0.0002","37.5161","0.0008","8.6128","0.0002","90","","108.326","0.001","90","","2509.95","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N O5 P -","- C22 H40 N O5 P -","- C88 H160 N4 O20 P4 -","4","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.0976","0.0682","","","0.1849","0.2131","","","","","","1.149","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028672","9.8626","0.0002","12.0215","0.0003","12.6871","0.0004","83.195","0.001","70.494","0.001","69.459","0.001","1327.74","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C46 H80 N2 O12 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.1365","0.0764","","","0.2049","0.2643","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028673","34.8838","0.0004","9.9827","0.0002","20.1591","0.0003","90","","121.084","0.001","90","","6012.09","0.18","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 N O6 P -","- C28 H42 N O6 P -","- C224 H336 N8 O48 P8 -","8","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.1181","0.0743","","","0.1898","0.2265","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028674","8.411","0.002","10.24","0.003","30.534","0.008","90","","90","","90","","2629.9","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O8 -","- C24 H40 N2 O8 -","- C96 H160 N8 O32 -","4","1","","Jian-She Zhu; Shinpei Nakagawa; Wei Chen; Isao Adachi; Yue-Mei Jia; Xiang-Guo Hu; George W. J. Fleet; Francis X. Wilson; Teruhiko Nitoda; Graeme Horne; Renate van Well; Atsushi Kato; Chu-Yi Yu","Synthesis of Eight Stereoisomers of Pochonicine: Nanomolar Inhibition of β-N-Acetylhexosaminidases","Journal of Organic Chemistry","2013","78","","10298","10309","10.1021/jo401694e","","","0.71073","MoKα","","0.0418","0.0398","","","0.1056","0.1136","","","","","","1.172","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028675","20.32","0.003","20.32","0.003","8.7899","0.0018","90","","90","","90","","3629.4","1.1","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C19 H18 Br Cl N2 -","- C19 H18 Br Cl N2 -","- C152 H144 Br8 Cl8 N16 -","8","1","","Bifu Liu; Hanling Gao; Yue Yu; Wanqing Wu; Huanfeng Jiang","Palladium-Catalyzed Intermolecular Aerobic Oxidative Cyclization of 2-Ethynylanilines with Isocyanides: Regioselective Synthesis of 4-Halo-2-aminoquinolines","Journal of Organic Chemistry","2013","78","","10319","10328","10.1021/jo401707j","","","0.71073","MoKα","","0.0726","0.0506","","","0.1456","0.159","","","","","","1.017","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028676","9.806","0.003","15.377","0.005","24.836","0.008","88.03","0.004","88.733","0.004","82.218","0.004","3708","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O0 -","- C33 H26 N2 -","- C198 H156 N12 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.3235","0.0769","","","0.1007","0.15","","","","","","0.976","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028677","10.872","0.01","38.16","0.04","11.993","0.011","90","","103.084","0.014","90","","4846","8","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C256 H200 N24 -","8","2","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1467","0.0521","","","0.0935","0.1147","","","","","","1.006","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028678","9.488","0.005","9.065","0.005","29.064","0.005","90","0.005","98.599","0.005","90","0.005","2471.7","1.9","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C128 H100 N12 -","4","4","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71069","MoKα","","0.0731","0.0517","","","0.1368","0.1558","","","","","","1.081","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028679","9.7586","0.0012","15.4226","0.0019","24.439","0.003","88.839","0.002","89.37","0.002","82.413","0.002","3645.1","0.8","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C192 H150 N18 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1438","0.0535","","","0.1265","0.1875","","","","","","0.93","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028680","10.453","","15.215","","24.84","","98.78","","97.42","","95.99","","3840.47","","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O -","- C33 H26 N2 O -","- C198 H156 N12 O6 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.2291","0.1109","","","0.2977","0.3433","","","","","","1.485","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028681","9.289","0.005","9.45","0.005","17.389","0.005","83.091","0.005","89.713","0.005","74.588","0.005","1460.3","1.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H35 N3 -","- C37 H35 N3 -","- C74 H70 N6 -","2","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71069","MoKα","","0.0569","0.0447","","","0.1429","0.1589","","","","","","1.146","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028682","9.2815","0.001","9.4972","0.001","17.4636","0.0019","83.778","0.001","89.848","0.002","74.469","0.001","1473.9","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N3 O -","- C37 H35 N3 O -","- C74 H70 N6 O2 -","2","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.0869","0.0508","","","0.1353","0.1703","","","","","","1.049","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028683","24.174","0.005","9.8145","0.0019","11.092","0.002","90","","99.977","0.003","90","","2591.8","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O -","- C34 H28 N2 O -","- C136 H112 N8 O4 -","4","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1302","0.0691","","","0.2151","0.2915","","","","","","0.95","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028684","6.965","0.0003","8.1765","0.0003","8.7646","0.0003","90","","99.001","0.001","90","","492.99","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Br2 O3 -","- C9 H8 Br2 O3 -","- C18 H16 Br4 O6 -","2","1","","Michael D. VanHeyst; E. Zachary Oblak; Dennis L. Wright","Stereodivergent Resolution of Oxabicyclic Ketones: Preparation of Key Intermediates for Platensimycin and Other Natural Products","Journal of Organic Chemistry","2013","78","","10555","10559","10.1021/jo4017502","","","1.54178","CuKα","","0.044","0.044","","","0.1144","0.1144","","","","","","1.16","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028685","6.094","0.0005","16.4155","0.0018","19.6133","0.0012","90","","90","","90","","1962","0.3","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N O4 P S -","- C19 H22 N O4 P S -","- C76 H88 N4 O16 P4 S4 -","4","1","","Wen-Yong Han; Jian-Qiang Zhao; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Asymmetric Synthesis of β-Hydroxy-α-amino Phosphonic Acid Derivatives via Organocatalytic Direct Aldol Reaction of α-Isothiocyanato Phosphonates with Aldehydes","Journal of Organic Chemistry","2013","78","","10541","10547","10.1021/jo401779x","","","0.71073","MoKα","","0.1007","0.0611","","","0.1313","0.158","","","","","","1.019","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028686","10.9516","0.0007","7.0293","0.0004","21.4714","0.0013","90","","99.065","0.004","90","","1632.27","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Seema Dhiman; S. S. V. Ramasastry","Acid Catalyzed Ring Transformation of Benzofurans to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2013","78","","10427","10436","10.1021/jo4018233","","","0.71073","MoKα","","0.1336","0.0799","","","0.2048","0.2358","","","","","","1.031","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028687","7.3627","0.001","16.577","0.002","11.7672","0.0016","90","","93.907","0.007","90","","1432.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Seema Dhiman; S. S. V. Ramasastry","Acid Catalyzed Ring Transformation of Benzofurans to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2013","78","","10427","10436","10.1021/jo4018233","","","0.71073","MoKα","","0.087","0.067","","","0.2004","0.2224","","","","","","1.045","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028688","10.4834","0.0005","10.8984","0.0005","11.9384","0.0006","63.43","0.003","69.213","0.003","73.77","0.003","1128.57","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N O3 -","- C31 H19 N O3 -","- C62 H38 N2 O6 -","2","1","","Jin-Wei Sun; Xiang-Shan Wang; Yun Liu","Copper(II)-Catalyzed Sequential C,N-Difunctionalization of 1,4-Naphthoquinone for the Synthesis of Benzo[f]indole-4,9-diones under Base-Free Condition","Journal of Organic Chemistry","2013","78","","10560","10566","10.1021/jo401842d","","","0.71073","MoKα","","0.0504","0.0363","","","0.1111","0.1247","","","","","","0.941","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028689","8.7295","0.0003","9.9483","0.0002","13.9369","0.0004","96.205","0.002","104.131","0.003","100.355","0.002","1139.85","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O4 S -","- C12 H11 N O4 S -","- C48 H44 N4 O16 S4 -","4","2","","Kimberly Geoghegan; Shaun Smullen; Paul Evans","Halonium Ion Triggered Rearrangement of Unsaturated Benzo-Annulated Bi- and Tricyclic Sulfonamides","Journal of Organic Chemistry","2013","78","","10443","10451","10.1021/jo401888f","","","1.54184","CuKα","","0.0585","0.0557","","","0.1371","0.1388","","","","","","1.092","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028690","11.8097","0.0002","18.801","0.0003","7.3495","0.0001","90","","102.774","0.002","90","","1591.45","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br2 N O4 S -","- C15 H13 Br2 N O4 S -","- C60 H52 Br8 N4 O16 S4 -","4","1","","Kimberly Geoghegan; Shaun Smullen; Paul Evans","Halonium Ion Triggered Rearrangement of Unsaturated Benzo-Annulated Bi- and Tricyclic Sulfonamides","Journal of Organic Chemistry","2013","78","","10443","10451","10.1021/jo401888f","","","0.71073","MoKα","","0.0342","0.0303","","","0.0654","0.0672","","","","","","1.056","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028691","10.519","0.006","14.773","0.007","8.352","0.004","90","","97.208","0.01","90","","1287.6","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Chia-Wei Chang; Chi-Cheng Wu; Yung-Yu Chang; Chia-Chi Lin; Tun-Cheng Chien","Synthesis and Unexpected Oxidization of the Tricyclic Core of Ugibohlin, Isophakellin, and Styloguanidine","Journal of Organic Chemistry","2013","78","","10459","10468","10.1021/jo401911a","","","0.71073","MoKα","","0.1482","0.0599","","","0.1352","0.1716","","","","","","0.935","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028692","17.561","0.004","7.9588","0.0016","13.637","0.003","90","","91.7","0.03","90","","1905.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","1","","Rong Zhou; Jianfang Wang; Jia Yu; Zhengjie He","Highly Chemoselective Rauhut-Currier Reaction between Maleimides and Enones and Dual Phosphine-Mediated One-Pot Synthesis of Bicyclic and Polycyclic Skeletons","Journal of Organic Chemistry","2013","78","","10596","10604","10.1021/jo401363u","","","0.71073","MoKα","","0.099","0.0604","","","0.1419","0.1634","","","","","","1.068","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028693","7.091","0.003","9.47","0.004","23.278","0.009","90","","98.522","0.003","90","","1545.9","1.1","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Rong Zhou; Jianfang Wang; Jia Yu; Zhengjie He","Highly Chemoselective Rauhut-Currier Reaction between Maleimides and Enones and Dual Phosphine-Mediated One-Pot Synthesis of Bicyclic and Polycyclic Skeletons","Journal of Organic Chemistry","2013","78","","10596","10604","10.1021/jo401363u","","","0.71073","MoKα","","0.047","0.0377","","","0.0947","0.1001","","","","","","1.008","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028694","26.627","0.005","10.341","0.002","19.766","0.004","90","","105.09","0.03","90","","5254.9","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl N O3 S -","- C31 H26 Cl N O3 S -","- C248 H208 Cl8 N8 O24 S8 -","8","2","","Li-Rong Wen; Tao He; Ming-Chao Lan; Ming Li","Three-Component Cascade Annulation of β-Ketothioamides Promoted by CF3CH2OH: A Regioselective Synthesis of Tetrasubstituted Thiophenes","Journal of Organic Chemistry","2013","78","","10617","10628","10.1021/jo401397d","","","0.71073","MoKα","","0.1031","0.0856","","","0.1414","0.1477","","","","","","1.283","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028695","14.0817","0.0014","9.5974","0.001","23.03","0.002","90","","90","","90","","3112.5","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0558","0.043","","","0.1363","0.1489","","","","","","1.137","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028696","10.493","0.002","19.484","0.004","11.334","0.002","90","","122.064","0.014","90","","1963.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0683","0.0425","","","0.0605","0.0632","","","","","","1.695","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028697","8.5555","0.0003","10.1638","0.0004","19.309","0.0008","90","","90","","90","","1679.04","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F3 O2 S -","- C18 H15 F3 O2 S -","- C72 H60 F12 O8 S4 -","4","1","","Yu Su; Jun-Bing Ling; Shuang Zhang; Peng-Fei Xu","Organocatalytic Cascade Sulfa-Michael/Aldol Reaction of β,β-Disubstituted Enones: Enantioselective Synthesis of Tetrahydrothiophenes with a Trifluoromethylated Quaternary Center","Journal of Organic Chemistry","2013","78","","11053","11058","10.1021/jo4016024","","","0.7107","MoKα","","0.079","0.0504","","","0.1357","0.1707","","","","","","0.931","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028698","12.2436","0.0004","14.2193","0.0004","14.3945","0.0004","86.147","0.002","66.914","0.003","69.377","0.003","2150.27","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H50 N4 O3 -","- C54 H50 N4 O3 -","- C108 H100 N8 O6 -","2","1","","Zhanqian Yu; Marcin Ptaszek","Near-IR Emissive Chlorin-Bacteriochlorin Energy-Transfer Dyads with a Common Donor and Acceptors with Tunable Emission Wavelength","Journal of Organic Chemistry","2013","78","","10678","10691","10.1021/jo4016858","","","0.71073","MoKα","","0.0563","0.0422","","","0.1156","0.1226","","","","","","1.052","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028699","21.212","","13.035","","8.79","","90","","105.71","","90","","2339.63","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C108 H116 N4 O16 -","4","1","","Antonio Salomone; Filippo Maria Perna; Francesca Claudia Sassone; Aurelia Falcicchio; Jure Bezenšek; Jurij Svete; Branko Stanovnik; Saverio Florio; Vito Capriati","Preparation of Polysubstituted Isochromanes by Addition of ortho-Lithiated Aryloxiranes to Enaminones","Journal of Organic Chemistry","2013","78","","11059","11065","10.1021/jo401689e","","","0.71073","MoKα","","0.1773","0.0768","","","0.1435","0.1827","","","","","","0.99","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028700","10.7365","0.0016","12.0629","0.0018","15.643","0.002","71.062","0.002","84.577","0.002","67.378","0.002","1767.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 N4 O2 -","- C37 H56 N4 O2 -","- C74 H112 N8 O4 -","2","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.71073","MoKα","","0.0668","0.0472","","","0.1447","0.1737","","","","","","1.169","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028701","10.7783","0.0006","31.1615","0.0016","11.9415","0.0007","90","","113.234","0.007","90","","3685.5","0.4","121.16","0.1","121.16","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 N4 O2 -","- C39 H59 N4 O2 -","- C156 H236 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.7107","MoKα","","0.1414","0.0747","","","0.1524","0.1875","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028702","8.1683","0.0002","29.6471","0.0007","15.348","0.0004","90","","102.95","0.002","90","","3622.24","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H59 N2 O2 -","- C39 H58 N4 O2 -","- C156 H232 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","1.54184","CuKα","","0.0644","0.0566","","","0.1606","0.1691","","","","","","1.07","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028703","11.281","0.002","8.8295","0.0018","17.148","0.003","90","","95.77","0.03","90","","1699.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-bis[(4-benzyl)imidazo-pyridinium]ethane triflate","2,2'-(ethane-1,2-diyl)bis(4-benzyl-3H-imidazo[4,5-c]pyridin-4-ium) triflate","","- C30 H30 F6 N6 O8 S2 -","- C30 H30 F6 N6 O8 S2 -","- C60 H60 F12 N12 O16 S4 -","2","0.5","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.203","0.1207","","","0.2045","0.2448","","","","","","1.194","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028704","12.368","0.003","10.385","0.002","25.353","0.005","90","","90.87","0.03","90","","3256","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[2]pseudorotaxane: 1,2-bis[(4-benzyl)imidazo-pyridinium]ethane DB24C8 triflate","[2]pseudorotaxane","","- C56 H60 F12 N6 O20 S4 -","- C56 H60 F12 N6 O20 S4 -","- C112 H120 F24 N12 O40 S8 -","2","0.5","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.1949","0.0939","","","0.2417","0.2958","","","","","","1.058","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028705","9.925","0.0012","12.232","0.0012","25.401","0.0012","90","","97.864","0.001","90","","3054.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis[(3-benzyl)imidazo-pyridinium]ethane bromide","2,2'-(ethane-1,2-diyl)bis(4-benzyl-3H-imidazo[4,5-b]pyridin-4-ium) bromide","","- C29 H27 Br2 Cl3 N6 -","- C29 H27 Br2 Cl3 N6 -","- C116 H108 Br8 Cl12 N24 -","4","1","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.1652","0.0746","","","0.1652","0.2026","","","","","","1.031","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028706","13.3203","0.0003","13.3203","0.0003","18.4658","0.0003","90","","90","","90","","3276.39","0.12","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C34 H36 O10 -","- C34 H36 O10 -","- C136 H144 O40 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.08","0.0606","","","0.1585","0.1727","","","","","","1.021","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028707","13.1405","0.0005","9.1003","0.0003","14.1366","0.0004","90","","97.09","0.003","90","","1677.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 Br O7 -","- C14 H21 Br O7 -","- C56 H84 Br4 O28 -","4","2","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0617","0.0397","","","0.0757","0.0788","","","","","","0.869","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028708","10.7518","0.0003","17.896","0.0006","16.0933","0.0004","90","","90.165","0.002","90","","3096.57","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","3","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0436","0.0289","","","0.0532","0.0554","","","","","","0.878","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028709","6.0447","0.0003","6.9522","0.0004","7.2801","0.0005","72.905","0.004","71.641","0.003","69.728","0.004","266.45","0.03","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C10 H16 O5 -","1","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0411","0.0387","","","0.1038","0.1066","","","","","","1.059","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028710","8.4976","0.0005","5.2988","0.0003","11.0339","0.0007","90","","93.476","0.005","90","","495.91","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0464","0.033","","","0.0595","0.062","","","","","","0.957","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028711","14.6591","0.0006","5.2307","0.0002","18.5204","0.0008","90","","105.576","0.002","90","","1367.94","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C58 H76 O16 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0766","0.0484","","","0.0945","0.1048","","","","","","1.055","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028712","7.1089","0.0003","7.2805","0.0003","20.2476","0.0008","90","","90","","90","","1047.94","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0521","0.0339","","","0.0686","0.0717","","","","","","0.878","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028713","8.785","0.0003","10.6361","0.0004","38.731","0.0019","90","","90","","90","","3619","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H56 O5 Si2 -","- C35 H56 O5 Si2 -","- C140 H224 O20 Si8 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0866","0.0509","","","0.0933","0.1001","","","","","","0.928","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028714","10.6997","0.0006","9.6647","0.0007","10.9106","0.0006","90","","91.772","0.005","90","","1127.72","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H28 O5 -","- C27 H28 O5 -","- C54 H56 O10 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0864","0.04","","","0.0639","0.07","","","","","","0.782","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028715","6.56651","0.00013","11.1912","0.0003","22.4202","0.0005","90","","90","","90","","1647.6","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","1.54187","CuKα","","0.0591","0.0536","","","0.1317","0.1365","","","","","","1.11","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028716","11.9965","0.0008","11.3182","0.0008","11.3721","0.0008","90","","97.065","0.001","90","","1532.37","0.18","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","0.71073","MoKα","","0.0451","0.0349","","","0.1102","0.1249","","","","","","0.867","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028717","11.0701","0.0017","10.7138","0.0016","15.567","0.002","90","","91.745","0.002","90","","1845.4","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O4 S -","- C19 H24 N2 O2 S -","- C76 H96 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","0.71073","MoKα","","0.0626","0.0578","","","0.2085","0.2187","","","","","","1.783","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028718","14.0247","0.0006","7.4097","0.0003","14.5049","0.0007","90","","94.837","0.003","90","","1501.96","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3aa","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.1016","0.0515","","","0.1164","0.1363","","","","","","1.049","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028719","11.3759","0.0003","13.0992","0.0004","11.4895","0.0003","90","","92.179","0.001","90","","1710.87","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3be","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.0472","0.0379","","","0.0885","0.0942","","","","","","0.992","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028720","6.999","0.005","11.729","0.009","21.182","0.016","90","","96.41","0.03","90","","1728","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.1613","0.0602","","","0.1082","0.1372","","","","","","0.986","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028721","9.873","0.004","14.973","0.006","38.333","0.014","90","","91.692","0.012","90","","5664","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 F12 N4 Si2 -","- C62 H56 F12 N4 Si2 -","- C248 H224 F48 N16 Si8 -","4","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1702","0.0726","","","0.1755","0.228","","","","","","1.01","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028722","8.6544","0.0009","12.7016","0.0013","21.437","0.002","100.096","0.002","96.605","0.002","103.513","0.002","2225.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 F9 N2 Si2 -","- C48 H49 F9 N2 Si2 -","- C96 H98 F18 N4 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1012","0.0551","","","0.1204","0.1485","","","","","","1.032","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028723","7.5628","0.0005","7.661","0.0006","17.1065","0.0013","89.004","0.002","78.407","0.002","85.986","0.002","968.52","0.12","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","1","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1189","0.0823","","","0.1867","0.2147","","","","","","0.972","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028724","7.6461","0.0017","7.6728","0.0017","16.941","0.004","89.462","0.005","78.563","0.005","84.127","0.005","969","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 F4 N4 Si2 -","- C40 H46 F4 N4 Si2 -","- C40 H46 F4 N4 Si2 -","1","0.5","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1104","0.0649","","","0.1439","0.1618","","","","","","1.059","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028725","7.7917","0.0009","16.4403","0.0019","17.186","0.002","76.699","0.008","89.404","0.009","84.78","0.008","2133.4","0.4","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H48 F6 N4 Si2 -","- C44 H48 F6 N4 Si2 -","- C88 H96 F12 N8 Si4 -","2","2","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1823","0.0896","","","0.2038","0.2589","","","","","","1.017","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028726","11.8699","0.0012","27.928","0.003","7.6424","0.0007","90","","90.309","0.002","90","","2533.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C104 H144 O48 -","8","2","","G. Hari Mangeswara Rao; Faiz Ahmed Khan","An Unusual Fragmentation of Oxetane-Embedded Tetracyclic Ketal Systems","Journal of Organic Chemistry","2013","78","","11092","11095","10.1021/jo401870s","","","0.71073","MoKα","","0.1359","0.0826","","","0.1329","0.1679","","","","","","1.044","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028727","7.5473","0.0013","8.2391","0.0014","12.532","0.002","80.767","0.003","80.035","0.003","84.869","0.003","756.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 Cl O6 -","- C14 H21 Cl O6 -","- C28 H42 Cl2 O12 -","2","1","","G. Hari Mangeswara Rao; Faiz Ahmed Khan","An Unusual Fragmentation of Oxetane-Embedded Tetracyclic Ketal Systems","Journal of Organic Chemistry","2013","78","","11092","11095","10.1021/jo401870s","","","0.71073","MoKα","","0.0801","0.0575","","","0.1315","0.1899","","","","","","1.193","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028728","5.9205","0.0006","11.3365","0.0013","29.609","0.003","90","","90","","90","","1987.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu","Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones","Journal of Organic Chemistry","2013","78","","10894","10901","10.1021/jo4018793","","","0.71073","MoKα","","0.1069","0.0464","","","0.1006","0.1241","","","","","","0.926","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028729","9.4027","0.0006","10.4191","0.0006","10.7784","0.0006","76.963","0.004","80.402","0.004","68.227","0.004","951.3","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu","Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones","Journal of Organic Chemistry","2013","78","","10894","10901","10.1021/jo4018793","","","0.71073","MoKα","","0.0781","0.0444","","","0.1077","0.1264","","","","","","1.029","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028730","9.5467","0.0002","14.4083","0.0004","13.2429","0.0004","90","","92.938","0.003","90","","1819.19","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C104 H84 N4 O4 -","4","1","","Frank D. King; Abil E. Aliev; Stephen Caddick; Derek A. Tocher","The Triflic Acid-Mediated Cyclization Reactions of N-Cinnamoyl-1-Naphthylamines","Journal of Organic Chemistry","2013","78","","10938","10946","10.1021/jo4018827","","","1.5418","CuKα","","0.0483","0.04","","","0.0957","0.1023","","","","","","1.021","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028731","13.01","0.017","18.68","0.02","7.224","0.009","90","","90","","90","","1756","4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H62 O4 -","- C38 H62 O4 -","- C76 H124 O8 -","2","0.5","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.0713","0.0455","","","0.094","0.1057","","","","","","1.02","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028732","9.259","0.004","6.367","0.002","18.158","0.012","90","","97.41","0.04","90","","1061.5","0.9","282","4","282","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N O2 -","- C10 H18 N O2 -","- C40 H72 N4 O8 -","4","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.0763","0.0586","","","0.1498","0.1677","","","","","","1.066","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028733","6.761","0.009","9.463","0.013","10.518","0.014","90","","105.293","0.016","90","","649.1","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.1581","0.0536","","","0.0874","0.1083","","","","","","0.982","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028734","14.8934","0.0008","11.7913","0.0006","19.2041","0.0018","90","","90","","90","","3372.5","0.4","301.19","0.1","301.19","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C144 H184 N16 O32 -","8","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","1.5418","CuKα","","0.0499","0.0379","","","0.0988","0.1085","","","","","","1.023","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028735","10.9237","0.0005","13.289","0.0006","13.9727","0.0005","63.682","0.002","81.338","0.002","81.12","0.002","1788.56","0.14","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H42 N2 O12 -","- C37 H42 N2 O12 -","- C74 H84 N4 O24 -","2","2","","Carlos Aydillo; Claudio D. Navo; Jesús H. Busto; Francisco Corzana; María M. Zurbano; Alberto Avenoza; Jesús M. Peregrina","A Double Diastereoselective Michael-Type Addition as an Entry to Conformationally Restricted Tn Antigen Mimics","Journal of Organic Chemistry","2013","78","","10968","10977","10.1021/jo4019396","","","0.71073","MoKα","","0.0988","0.0565","","","0.1411","0.1705","","","","","","1.004","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028736","6.1502","0.0004","8.0705","0.0005","17.2765","0.0011","90","","94.719","0.004","90","","854.62","0.09","296","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3-benzyl-2-(phenylethynyl)benzofuran","3-benzyl-2-(phenylethynyl)benzofuran","","- C23 H15 O -","- C23 H15 O -","- C46 H30 O2 -","2","1","","Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni","Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives","Journal of Organic Chemistry","2013","78","","11017","11031","10.1021/jo4020062","","","0.71073","MoKα","","0.0773","0.0461","","","0.1127","0.1407","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028737","20.9774","0.001","8.871","0.0004","17.3971","0.0009","90","","91.719","0.003","90","","3236","0.3","296","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12H-benzo-7-phenyl[7]annulen-6-benzo[b]furan","12H-benzo-7-phenyl[7]annulen-6-benzo[b]furan","","- C23 H16 O -","- C23 H16 O -","- C184 H128 O8 -","8","2","","Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni","Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives","Journal of Organic Chemistry","2013","78","","11017","11031","10.1021/jo4020062","","","0.71073","MoKα","","0.1505","0.0499","","","0.1004","0.1317","","","","","","0.961","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028738","12.1176","0.0004","12.1176","0.0004","12.1176","0.0004","90","","90","","90","","1779.3","0.1","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C6 H15 Br Cu N -","- C6 H15 Br Cu N -","- C48 H120 Br8 Cu8 N8 -","8","0.166667","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.0138","0.0135","","","0.0348","0.0349","","","","","","1.122","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028739","9.9504","0.0006","19.6941","0.0011","10.6513","0.0006","90","","111.044","0.002","90","","1948.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cu2 F12 N6 O10 -","- C34 H26 Cu2 F12 N6 O10 -","- C68 H52 Cu4 F24 N12 O20 -","2","0.5","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.042","0.0322","","","0.1005","0.1106","","","","","","0.817","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028740","8.0701","0.0006","10.4214","0.0008","12.9523","0.0009","71.799","0.002","75.062","0.002","80.007","0.002","994.69","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu2 F12 N2 O10 -","- C38 H30 Cu2 F12 N2 O10 -","- C38 H30 Cu2 F12 N2 O10 -","1","0.5","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.0455","0.0337","","","0.068","0.0725","","","","","","1.027","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028741","15.67","0.003","10.967","0.003","21.785","0.006","90","","107.289","0.008","90","","3574.7","1.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H38 N4 Ni O3 -","- C42 H38 N4 Ni O3 -","- C168 H152 N16 Ni4 O12 -","4","1","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1402","0.0738","","","0.1478","0.1694","","","","","","0.911","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028742","20.601","0.003","8.4696","0.0013","31.301","0.005","90","","91.992","0.004","90","","5458.2","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H37 Br N4 Ni O3 -","- C42 H37 Br N4 Ni O3 -","- C252 H222 Br6 N24 Ni6 O18 -","6","3","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1891","0.0749","","","0.1367","0.1854","","","","","","0.984","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028743","11.2067","0.0014","7.1568","0.0009","22.836","0.003","90","","94.02","0.002","90","","1827","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O3 S -","- C15 H22 Br N O3 S -","- C60 H88 Br4 N4 O12 S4 -","4","2","","Wei Huang; Jian-Liang Ye; Wei Zheng; Han-Qing Dong; Bang-Guo Wei","Radical Migration-Addition of N-tert-Butanesulfinyl Imines with Organozinc Reagents","Journal of Organic Chemistry","2013","78","","11229","11237","10.1021/jo401640c","","","0.71073","MoKα","","0.1109","0.0637","","","0.1373","0.1504","","","","","","0.827","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028744","20.9064","0.0009","9.3117","0.0004","17.345","0.0007","90","","105.018","0.002","90","","3261.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N3 O3 -","- C41 H35 N3 O3 -","- C164 H140 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.113","0.0584","","","0.1463","0.1781","","","","","","1.032","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028745","12.7517","0.0005","9.5503","0.0003","28.7063","0.0011","90","","113.504","0.002","90","","3205.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N3 O3 -","- C41 H35 N3 O3 -","- C164 H140 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.1351","0.061","","","0.1537","0.2089","","","","","","1.002","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028746","9.2909","0.0002","19.3115","0.0005","17.429","0.0005","90","","112.188","0.002","90","","2895.57","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 N3 O3 -","- C37 H33 N3 O3 -","- C148 H132 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.1115","0.0564","","","0.1098","0.129","","","","","","0.995","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028747","10.457","0.0002","11.4169","0.0002","12.6533","0.0002","90","","90","","90","","1510.63","0.05","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Silvia V. Rocha; Nathaniel S. Finney","Systematic Evaluation of 2,6-Linked Pyridine-Thiophene Oligomers","Journal of Organic Chemistry","2013","78","","11255","11261","10.1021/jo401735g","","","0.71073","MoKα","","0.0511","0.0397","","","0.0896","0.0959","","","","","","1.046","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028748","8.2039","0.0012","8.2039","0.0012","21.191","0.004","90","","90","","90","","1426.2","0.4","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 Cl N2 O4 P -","- C10 H18 Cl N2 O4 P -","- C40 H72 Cl4 N8 O16 P4 -","4","0.5","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.0501","0.0425","","","0.0868","0.0908","","","","","","1.096","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028749","8.7196","0.0003","12.0985","0.0005","18.3711","0.0006","99.33","0.003","95.904","0.003","90.344","0.003","1901.75","0.12","291","2","291.15","","","","","","","","","6","P 1","P 1","1","","","","- C18 H18 Cl N2 O4 P -","- C18 H18 Cl N2 O4 P -","- C72 H72 Cl4 N8 O16 P4 -","4","4","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0664","0.0474","","","0.1334","0.1625","","","","","","1.021","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028750","10.02685","0.00016","10.35683","0.00016","23.9983","0.0005","90","","97.9548","0.0018","90","","2468.16","0.08","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H36 N3 O6 P -","- C19 H36 N3 O6 P -","- C76 H144 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0585","0.0529","","","0.1452","0.152","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028751","20.014","0.004","6.1055","0.0012","20.653","0.004","90","","101.36","0.03","90","","2474.3","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N3 O6 P -","- C21 H32 N3 O6 P -","- C84 H128 N12 O24 P4 -","4","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.1079","0.0821","","","0.1732","0.1898","","","","","","1.133","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028752","16.1499","0.0003","6.10696","0.00015","25.013","0.0007","90","","98.553","0.002","90","","2439.52","0.1","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C92 H112 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0503","0.0429","","","0.107","0.112","","","","","","1.061","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028753","11.3068","0.0003","8.2583","0.0003","13.1949","0.0004","90","","101.098","0.003","90","","1209.03","0.07","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C46 H56 N6 O12 P2 -","2","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.037","0.0349","","","0.0915","0.0945","","","","","","1.052","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028754","15.3492","0.0003","15.621","0.0004","17.0234","0.0002","89.136","0.002","80.277","0.002","86.364","0.002","4014.93","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C95.5 H110 N4 O9 -","- C95.493 H108.064 N4 O9 -","- C190.986 H216.128 N8 O18 -","2","1","","Marcin Grajda; Michał Wierzbicki; Piotr Cmoch; Agnieszka Szumna","Inherently Chiral Iminoresorcinarenes through Regioselective Unidirectional Tautomerization","Journal of Organic Chemistry","2013","78","","11597","11601","10.1021/jo4019182","","","1.5418","CuKα","","0.0882","0.084","","","0.2447","0.2527","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028755","10.6821","0.0003","11.5613","0.0003","12.1911","0.0003","81.645","0.0011","83.7998","0.0012","79.6147","0.0011","1460.02","0.07","100","1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 F12 N4 O4 Sb2 -","- C58 H72 F12 N4 O4 Sb2 -","- C58 H72 F12 N4 O4 Sb2 -","1","0.5","","Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei","Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane","Journal of Organic Chemistry","2013","78","","11373","11381","10.1021/jo401921f","","","0.71073","MoKα","","0.0174","0.0164","","","0.0411","0.0417","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028756","12.1617","0.0003","15.3473","0.0004","24.094","0.0005","83.6615","0.0014","82.0615","0.0014","79.8284","0.0014","4366.93","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H124 B22 Cl8 N4 -","- C74 H124 B22 Cl8 N4 -","- C148 H248 B44 Cl16 N8 -","2","1","","Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei","Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane","Journal of Organic Chemistry","2013","78","","11373","11381","10.1021/jo401921f","","","0.71073","MoKα","","0.1157","0.0595","","","0.1305","0.1549","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028757","7.0511","0.0002","9.8605","0.0002","24.4965","0.0006","90","","90","","90","","1703.18","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3aS,6S,6aR)-methyl 6-(hydroxymethyl)-4-oxo-1-tosylhexahydro -1H-furo[3,4-b]pyrrole-2-carboxylate","","- C16 H19 N O7 S -","- C16 H19 N O7 S -","- C64 H76 N4 O28 S4 -","4","1","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.0541","0.0412","","","0.09","0.0969","","","","","","1.031","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028758","8.27","0.0012","9.0465","0.0019","16.281","0.003","83.342","0.017","77.216","0.014","87.954","0.015","1179.8","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(2R,4R,5S)-4-ethyl 2-methyl 5-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl] -1-tosylpyrrolidine-2,4-dicarboxylate","","- C21 H29 N O8 S -","- C21 H29 N O8 S -","- C42 H58 N2 O16 S2 -","2","2","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.2437","0.0978","","","0.232","0.3064","","","","","","0.939","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028759","11.4634","0.0016","13.4376","0.0019","13.962","0.002","112.753","0.002","99.306","0.002","101.604","0.002","1873.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H34 Cl2 N4 O5 -","- C43 H34 Cl2 N4 O5 -","- C86 H68 Cl4 N8 O10 -","2","1","","Tuan-Jie Li; Zhong-Qiu Liu; Hong-Mei Yin; Chang-Sheng Yao; Bo Jiang; Xiang-Shan Wang; Shu-Jiang Tu; Xiu-Ling Li; Guigen Li","Metal-Free [3 + 2 + 1]/[2 + 2 + 1] Biscyclization: Stereospecific Construction with Concomitant Functionalization of Indolizin-5(1H)-one","Journal of Organic Chemistry","2013","78","","11414","11420","10.1021/jo401969g","","","0.71073","MoKα","","0.0912","0.0752","","","0.2333","0.2546","","","","","","1.076","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028760","12.6924","0.0008","14.0725","0.0009","17.2084","0.0011","73.164","0.004","89.207","0.004","71.084","0.004","2772.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H27 N5 O3 S -","- C16 H27 N5 O3 S -","- C96 H162 N30 O18 S6 -","6","3","","Asuman Durmus; Gorkem Gunbas; Steven C. Farmer; Marilyn M. Olmstead; Mark Mascal; Belete Legese; Jae-Young Cho; Rachel L. Beingessner; Takeshi Yamazaki; Hicham Fenniri","Synthesis of N-substituted Pyrido[4,3-d]pyrimidines for the Large-Scale Production of Self-Assembled Rosettes and Nanotubes","Journal of Organic Chemistry","2013","78","","11421","11426","10.1021/jo4019792","","","0.8856","synchrotron","","0.1021","0.0748","","","0.2142","0.2313","","","","","","1.092","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028761","23.335","0.006","6.2952","0.0015","23.129","0.006","90","","107.557","0.003","90","","3239.3","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,8-Dioxabicyclo[3.3.1]nonane","5-acetyl-8-bromo-4-methyl-6H-2,6-methanobenzo[d][1,3]dioxocine-11-carboxylate","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C136 H136 Br8 O40 -","8","1","","Venu Srinivas; Mamoru Koketsu","Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Knoevenagel Condensation and Hetero-Diels-Alder Reaction in an Aqueous Medium","Journal of Organic Chemistry","2013","78","","11612","11617","10.1021/jo401990h","","","0.71075","MoKα","","0.0419","0.0346","","","0.1144","0.1242","","","","","","0.913","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028762","11.033","0.002","10.0044","0.0018","14.451","0.003","90","","95.223","0.004","90","","1588.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C60 H56 Br8 O12 -","4","1","","Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou","Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates","Journal of Organic Chemistry","2013","78","","11470","11476","10.1021/jo402024v","","","0.71073","MoKα","","0.087","0.0409","","","0.0913","0.0989","","","","","","0.82","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028763","7.471","0.006","9.498","0.007","9.667","0.007","77.39","0.014","70.626","0.013","86.718","0.014","631.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","","Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou","Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates","Journal of Organic Chemistry","2013","78","","11470","11476","10.1021/jo402024v","","","0.71073","MoKα","","0.0777","0.0612","","","0.1487","0.1599","","","","","","0.975","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028764","12.152","0.002","7.7729","0.0016","16.896","0.003","90","","98.87","0.03","90","","1576.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F N O2 -","- C19 H16 F N O2 -","- C76 H64 F4 N4 O8 -","4","1","","Xiaochen Ji; Huawen Huang; Wanqing Wu; Xianwei Li; Huanfeng Jiang","Palladium-Catalyzed Oxidative Coupling of Aromatic Primary Amines and Alkenes under Molecular Oxygen: Stereoselective Assembly of (Z)-Enamines","Journal of Organic Chemistry","2013","78","","11155","11162","10.1021/jo402117r","","","0.71073","MoKα","","0.1049","0.0539","","","0.1479","0.1959","","","","","","1.086","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028765","15.326","0.003","18.541","0.004","11.368","0.003","90","","90","","90","","3230.3","1.3","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4'R,5'R,3E)-4-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-2-methyl-but-3-en-2-ol","","- C36 H38.5 B N0.5 O5 -","- C36 H38.5 B N0.5 O5 -","- C144 H154 B4 N2 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0841","0.0467","","","0.1042","0.1145","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028766","10.46","0.0008","16.7619","0.0015","19.5379","0.0017","90","","90","","90","","3425.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4'R,5'R)-'N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0562","0.0399","","","0.0823","0.0873","","","","","","1.033","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028767","10.8054","0.0008","15.9392","0.0013","20.1881","0.0017","90","","90","","90","","3477","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3R,4'R,5'R)-N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.069","0.0454","","","0.0859","0.0917","","","","","","1.024","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028768","8.013","0.005","27.362","0.016","25.684","0.014","90","","106.062","0.017","90","","5411","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 F12 N2 O16 P2 -","- C44 H68 F12 N2 O16 P2 -","- C176 H272 F48 N8 O64 P8 -","4","1","","Ziyong Li; Guoxing Liu; Wen Xue; Di Wu; Ying-Wei Yang; Jishan Wu; Sheng Hua Liu; Juyoung Yoon; Jun Yin","Construction of Hetero[n]rotaxanes by Use of Polyfunctional Rotaxane Frameworks","Journal of Organic Chemistry","2013","78","","11560","11570","10.1021/jo402166y","","","0.71073","MoKα","","0.2784","0.2424","","","0.5717","0.583","","","","","","2.209","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028769","7.44","0.003","8.52","0.003","10.916","0.004","82.128","0.007","89.698","0.008","64.857","0.007","619.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Ri-Yuan Tang; Xiao-Kang Guo; Jian-Nan Xiang; Jin-Heng Li","Palladium-Catalyzed Synthesis of 3-Acylated Indoles Involving Oxidative Cross-Coupling of Indoles with α-Amino Carbonyl Compounds","Journal of Organic Chemistry","2013","78","","11163","11171","10.1021/jo402215s","","","0.71073","MoKα","","0.0873","0.0652","","","0.1912","0.2021","","","","","","1.026","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028770","10.102","0.0006","10.1363","0.0006","46.985","0.003","90","","90","","90","","4811.1","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C208 H264 N24 O32 -","8","2","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0313","0.0309","","","0.0763","0.077","","","","","","1.072","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028771","8.6341","0.0003","5.2309","0.0002","15.231","0.0006","90","","95.623","0.002","90","","684.58","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C30 H40 N4 O2 -","2","1","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0276","0.0275","","","0.0681","0.0683","","","","","","1.111","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028772","9.17","0.002","12.496","0.002","23.338","0.003","90","","94.72","0.01","90","","2665.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 O3 P2 -","- C31 H30 O3 P2 -","- C124 H120 O12 P8 -","4","1","","Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Dmitriy S. Vinogradov; Rolf Gleiter; Nikolay S. Zefirov","Phosphonium-Iodonium Ylides with Heteroatomic Groups in the Synthesis of Annelated P-Containing Heterocycles","Journal of Organic Chemistry","2013","78","","11691","11697","10.1021/jo401514d","","","0.71073","MoKα","","0.0746","0.0495","","","0.1395","0.1708","","","","","","1.025","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028773","28.383","0.001","11.6353","0.0004","15.9062","0.0005","90","","107.593","0.002","90","","5007.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O5 S2 -","- C19 H26 N2 O5 S2 -","- C152 H208 N16 O40 S16 -","8","1","","Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade","Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines","Journal of Organic Chemistry","2013","78","","11756","11764","10.1021/jo401722e","","","0.71073","MoKα","","0.1003","0.07","","","0.2094","0.2417","","","","","","1.08","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028774","10.666","0.01","10.666","0.01","18.087","0.017","90","","90","","90","","2058","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C19 H26 N2 O4 S2 -","- C19 H26 N2 O4 S2 -","- C76 H104 N8 O16 S8 -","4","0.5","","Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade","Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines","Journal of Organic Chemistry","2013","78","","11756","11764","10.1021/jo401722e","","","0.71073","MoKα","","0.0418","0.0359","","","0.0932","0.0978","","","","","","1.048","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028775","14.0232","0.0003","12.7797","0.0003","14.9172","0.0005","90","","106.626","0.001","90","","2561.58","0.12","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B N -","- C32 H34 B N -","- C128 H136 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.1169","0.0836","","","0.1522","0.1696","","","","","","1.122","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028776","11.0791","0.0002","11.447","0.0002","12.2458","0.0002","100.964","0.001","112.053","0.001","92.043","0.001","1403.33","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B N O2 -","- C34 H38 B N O2 -","- C68 H76 B2 N2 O4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.0596","0.0548","","","0.1384","0.1436","","","","","","1.04","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028777","9.6213","0.0015","20.391","0.003","10.9103","0.0017","90","","100.154","0.002","90","","2106.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B N -","- C26 H30 B N -","- C104 H120 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0635","0.0531","","","0.1233","0.1298","","","","","","1.099","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028778","19.3095","0.0012","8.7351","0.0006","15.5396","0.001","90","","108.725","0.009","90","","2482.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 B N -","- C30 H38 B N -","- C120 H152 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.1117","0.0843","","","0.2017","0.2227","","","","","","1.116","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028779","8.6193","0.0003","26.8803","0.0011","11.685","0.0006","90","","103.057","0.003","90","","2637.3","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B N -","- C28 H32 B N -","- C112 H128 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","1.54178","CuKα","","0.0792","0.0556","","","0.1428","0.1561","","","","","","1.06","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028780","8.8585","0.0002","31.3626","0.0008","9.4406","0.0003","90","","95.78","0.003","90","","2609.51","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 B N O -","- C31 H38 B N O -","- C124 H152 B4 N4 O4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","1.54178","CuKα","","0.0511","0.045","","","0.1184","0.1232","","","","","","1.066","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028781","29.1131","0.0006","10.8631","0.0002","18.7653","0.0004","90","","116.993","0.001","90","","5288.17","0.19","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 B N O -","- C33 H34 B N O -","- C264 H272 B8 N8 O8 -","8","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.0918","0.0683","","","0.1474","0.1628","","","","","","1.092","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028782","11.962","0.002","14.969","0.003","16.155","0.003","105.132","0.003","93.171","0.003","93.324","0.003","2780.2","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 B2 N2 -","- C64 H68 B2 N2 -","- C128 H136 B4 N4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0917","0.0699","","","0.1907","0.2058","","","","","","1.061","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028783","11.3808","0.0014","13.1225","0.0016","16.561","0.002","76.31","0.007","77.264","0.007","67.385","0.006","2195","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H56 B2 N2 -","- C55 H56 B2 N2 -","- C110 H112 B4 N4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0743","0.051","","","0.125","0.1382","","","","","","1.088","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028784","27.6966","0.0011","4.8683","0.0002","21.0108","0.0009","90","","118.152","0.002","90","","2497.85","0.18","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","","Bright U. Emenike; Albert Tianxiang Liu; Elsy P. Naveo; John D. Roberts","Substituent Effects on Energetics of Peptide-Carboxylate Hydrogen Bonds as Studied by 1H NMR Spectroscopy: Implications for Enzyme Catalysis","Journal of Organic Chemistry","2013","78","","11765","11771","10.1021/jo401762m","","","0.71073","MoKα","","0.0989","0.0708","","","0.0909","0.0923","","","","","","3.508","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028785","9.705","0.002","10.735","0.003","15.984","0.004","103.347","0.003","106.187","0.003","90.024","0.003","1552.3","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N3 O3 S -","- C35 H41 N3 O3 S -","- C70 H82 N6 O6 S2 -","2","1","","Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller","Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements","Journal of Organic Chemistry","2013","78","","11772","11782","10.1021/jo401810p","","","0.71073","MoKα","","0.0853","0.0549","","","0.1303","0.1445","","","","","","1.037","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028786","9.784","0.0003","11.1537","0.0003","11.4846","0.0003","90.8517","0.0003","98.4236","0.0003","112.35","0.0003","1143.22","0.06","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N3 O4 -","- C24 H33 N3 O4 -","- C48 H66 N6 O8 -","2","1","","Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller","Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements","Journal of Organic Chemistry","2013","78","","11772","11782","10.1021/jo401810p","","","0.71073","MoKα","","0.0378","0.0353","","","0.0904","0.0928","","","","","","1.033","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028787","23.8045","0.0017","10.9781","0.0005","7.5754","0.0004","90","","90","","90","","1979.7","0.2","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N2 O2 S2 -","- C9 H7 N O2 S2 -","- C72 H56 N8 O16 S16 -","8","1","","Shuai Liang; Ruo-Yi Zhang; Long-Yi Xi; Shan-Yong Chen; Xiao-Qi Yu","Sulfonylation of Five-Membered Heterocycles via an SNAr Reaction","Journal of Organic Chemistry","2013","78","","11874","11880","10.1021/jo401828b","","","0.7107","MoKα","","0.0657","0.0447","","","0.092","0.1032","","","","","","1.047","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028788","10.1296","0.0007","18.4212","0.0014","11.9851","0.0009","90","","91.991","0.001","90","","2235.1","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O6 -","- C27 H22 N2 O6 -","- C108 H88 N8 O24 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0494","0.0408","","","0.116","0.1251","","","","","","1.031","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028789","11.5429","0.0005","14.5961","0.0006","13.7283","0.0006","90","","103.401","0.005","90","","2249.98","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O6 -","- C28 H24 N2 O6 -","- C112 H96 N8 O24 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0728","0.0486","","","0.1338","0.1396","","","","","","1.054","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028790","11.6208","0.0007","8.9292","0.0006","31.995","0.002","90","","90","","90","","3319.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0631","0.0502","","","0.1617","0.1728","","","","","","1.433","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028791","22.861","0.002","10.2821","0.0011","18.164","0.003","90","","94.522","0.011","90","","4256.3","0.9","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N2 O6 -","- C26 H18 N2 O6 -","- C208 H144 N16 O48 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.1716","0.1257","","","0.3173","0.3482","","","","","","1.126","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028792","12.1763","0.0004","12.2873","0.0005","14.78","0.0005","90","","97.307","0.003","90","","2193.33","0.14","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0648","0.0403","","","0.0875","0.0909","","","","","","0.978","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028793","9.3544","0.0002","28.805","0.0007","11.3634","0.0003","90","","92.382","0.002","90","","3059.26","0.13","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 -","- C34 H39.5 O6 -","- C136 H158 O24 -","4","2","","Xionghao Lin; Shuai Ji; Xue Qiao; Hongbo Hu; Ni Chen; Yinhui Dong; Yun Huang; Dean Guo; Pengfei Tu; Min Ye","Density Functional Theory Calculations in Stereochemical Determination of Terpecurcumins J-W, Cytotoxic Terpene-Conjugated Curcuminoids from Curcuma longa L.","Journal of Organic Chemistry","2013","78","","11835","11848","10.1021/jo401859u","","","1.5418","CuKα","","0.0605","0.0581","","","0.1624","0.1663","","","","","","1.037","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4028794","8.4052","0.0009","9.2279","0.0009","19.9876","0.002","88.001","0.008","88.103","0.009","81.877","0.009","1533.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 N4 -","- C15 H12 Cl2 N4 -","- C60 H48 Cl8 N16 -","4","2","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.2703","0.0794","","","0.1112","0.1851","","","","","","0.951","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028795","7.6054","0.0014","11.951","0.004","17.019","0.006","90","","90","","90","","1546.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.2406","0.0813","","","0.0658","0.1049","","","","","","0.986","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028796","16.904","0.004","17","0.004","17.259","0.006","90","","109.76","0.03","90","","4668","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N4 -","- C19 H15.6667 N4 -","- C228 H188 N48 -","12","3","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.4947","0.0937","","","0.1166","0.251","","","","","","0.83","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028797","21.257","0.0019","14.0225","0.0013","13.2352","0.0012","90","","101.593","0.002","90","","3864.6","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl2 N4 Pd -","- C19 H16 Cl2 N4 Pd -","- C152 H128 Cl16 N32 Pd8 -","8","1","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.0354","0.0281","","","0.0674","0.0708","","","","","","0.975","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028798","10.0112","0.0005","17.0294","0.0009","10.0896","0.0005","90","","110.047","0.0006","90","","1615.91","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O7 -","- C15 H17 N O7 -","- C60 H68 N4 O28 -","4","1","","Ping Cheng; Wenjie Shao; Derrick L. J. Clive","A General Route to 1,3'-Bipyrroles","Journal of Organic Chemistry","2013","78","","11860","11873","10.1021/jo401892t","","","0.71073","MoKα","","0.0448","0.036","","","0.0903","0.0961","","","","","","1.059","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028799","6.6903","0.0003","9.146","0.0004","23.0313","0.0011","90","","97.33","0.001","90","","1397.76","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Ping Cheng; Wenjie Shao; Derrick L. J. Clive","A General Route to 1,3'-Bipyrroles","Journal of Organic Chemistry","2013","78","","11860","11873","10.1021/jo401892t","","","0.71073","MoKα","","0.0389","0.0334","","","0.0831","0.0868","","","","","","1.069","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028800","13.794","0.017","13.183","0.017","16.18","0.02","90","","106.781","0.015","90","","2817","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","1","","Weijun Fu; Fengjuan Xu; Yuqin Fu; Mei Zhu; Jiaqi Yu; Chen Xu; Dapeng Zou","Synthesis of 3,3-Disubstituted Oxindoles by Visible-Light-Mediated Radical Reactions of Aryl Diazonium Salts with N-Arylacrylamides","Journal of Organic Chemistry","2013","78","","12202","12206","10.1021/jo401894b","","","0.71073","MoKα","","0.1325","0.0578","","","0.1458","0.1881","","","","","","0.964","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028801","8.93","0.0005","12.8309","0.0007","14.2483","0.0008","97.358","0.003","92.479","0.003","107.783","0.003","1535.89","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O6 Si -","- C32 H41 N O6 Si -","- C64 H82 N2 O12 Si2 -","2","1","","Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini","Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction","Journal of Organic Chemistry","2013","78","","11901","11910","10.1021/jo401960p","","","0.71073","MoKα","","0.0499","0.037","","","0.09","0.0975","","","","","","1.033","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028802","9.5513","0.0011","10.1186","0.0011","17.6081","0.0019","78.541","0.002","77.525","0.002","69.229","0.002","1539.6","0.3","90","0.1","90","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl2 N2 O5 Si -","- C29 H36 Cl2 N2 O5 Si -","- C58 H72 Cl4 N4 O10 Si2 -","2","1","","Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini","Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction","Journal of Organic Chemistry","2013","78","","11901","11910","10.1021/jo401960p","","","0.71073","MoKα","","0.0524","0.0386","","","0.0983","0.1058","","","","","","1.033","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028803","14.2596","0.0006","10.09","0.0004","15.1424","0.0006","90","","114.587","0.002","90","","1981.14","0.14","100","2","100","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N O3 P -","- C22 H26 N O3 P -","- C88 H104 N4 O12 P4 -","4","1","","Lukas Jedinak; LaToya Rush; Mijoon Lee; Dusan Hesek; Jed F. Fisher; Bill Boggess; Bruce C. Noll; Shahriar Mobashery","Use of Silver Carbonate in the Wittig Reaction","Journal of Organic Chemistry","2013","78","","12224","12228","10.1021/jo401972a","","x-ray","1.54178","CuKα","","0.0344","0.033","","","0.0868","0.0882","","","","","","1.078","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028804","5.7023","0.0014","18.621","0.004","20.8","0.005","90","","90","","90","","2208.6","0.9","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C112 H104 N8 O4 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.1461","0.0669","","","0.1428","0.1876","","","","","","0.959","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028805","5.07","0.006","12.757","0.015","33.28","0.04","90","","89.95","0.016","90","","2152","4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl2 N2 O -","- C26 H20 Cl2 N2 O -","- C104 H80 Cl8 N8 O4 -","4","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1723","0.0783","","","0.2297","0.3104","","","","","","1.012","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028806","10.3801","0.0004","15.2819","0.0005","15.5503","0.0006","90.655","0.002","90.471","0.002","95.063","0.002","2456.82","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19.5 Br2 N2 O -","- C26 H20 Br2 N2 O -","- C104 H80 Br8 N8 O4 -","4","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.1107","0.061","","","0.2119","0.2484","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028807","11.718","0.003","14.078","0.003","13.761","0.003","90","","94.233","0.014","90","","2263.9","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O5 -","- C26 H20 N4 O5 -","- C104 H80 N16 O20 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0695","0.0432","","","0.1047","0.1193","","","","","","1.021","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028808","35.3642","0.0014","5.4364","0.0002","21.9052","0.0009","90","","92.293","0.004","90","","4208","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N4 O5 -","- C21 H24 N4 O5 -","- C168 H192 N32 O40 -","8","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1166","0.0513","","","0.1308","0.1615","","","","","","1.007","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028809","9.4784","0.0008","9.4781","0.0007","46.173","0.004","90","","90","","90","","4148.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Cl2 N2 O -","- C21 H24 Cl2 N2 O -","- C168 H192 Cl16 N16 O8 -","8","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1644","0.0503","","","0.1064","0.1419","","","","","","0.851","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4028810","30.2766","0.0012","10.3252","0.0004","19.7855","0.0006","90","","92.296","0.002","90","","6180.2","0.4","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H14 Cl2 O2 -","- C17 H14 Cl2 O2 -","- C272 H224 Cl32 O32 -","16","4","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0626","0.0442","","","0.1037","0.1171","","","","","","1.023","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028811","8.7708","0.0006","30.023","0.002","9.596","0.0006","90","","109.811","0.003","90","","2377.3","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br2 N2 O -","- C27 H22 Br2 N2 O -","- C108 H88 Br8 N8 O4 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0986","0.0432","","","0.0887","0.1082","","","","","","1.012","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028812","9.856","0.005","13.199","0.006","7.922","0.004","90","","109.051","0.008","90","","974.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.1006","0.0648","","","0.185","0.2038","","","","","","1.087","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028813","7.872","0.002","11.776","0.003","13.692","0.004","90","","90.409","0.006","90","","1269.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.1028","0.076","","","0.1492","0.1607","","","","","","1.208","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028814","5.8376","0.0011","8.6923","0.0016","12.493","0.002","75.098","0.003","85.414","0.003","74.855","0.003","591.27","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.0397","0.0371","","","0.0859","0.0873","","","","","","1.135","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028815","5.331","0.0008","10.0858","0.0014","11.7987","0.0017","109.051","0.002","101.812","0.002","92.026","0.002","583.35","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C28 H20 Br2 N2 O4 -","2","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.0207","0.0197","","","0.053","0.0535","","","","","","1.078","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028816","7.0565","0.0009","11.3492","0.0017","26.647","0.003","78.589","0.009","89.279","0.009","84.548","0.011","2082.4","0.5","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H83 F24 N5 P4 -","- C86 H83 F24 N5 P4 -","- C86 H83 F24 N5 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nicolaas A. Vermeulen; Edward J. Dale; J. Fraser Stoddart","Synthesis of ExnBox Cyclophanes","Journal of Organic Chemistry","2013","78","","11962","11969","10.1021/jo401993n","","","1.54178","CuKα","","0.1188","0.0821","","","0.211","0.2358","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","178467","2020-10-21","18:00:00",""
"4028817","18.014","","11.966","","25.055","","90","","98.57","","90","","5340.44","","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O -","- C11 H9 Cl N2 O -","- C220 H180 Cl20 N40 O20 -","20","5","","Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong","Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides","Journal of Organic Chemistry","2013","78","","11956","11961","10.1021/jo401997v","","","0.71073","MoKα","","0.2317","0.1139","","","0.2258","0.2881","","","","","","1.045","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028818","13.4278","0.0011","10.9087","0.0009","13.4767","0.0011","90","","99.609","0.001","90","","1946.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","2","","Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong","Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides","Journal of Organic Chemistry","2013","78","","11956","11961","10.1021/jo401997v","","","0.71073","MoKα","","0.0522","0.0436","","","0.1151","0.1227","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028819","9.4112","0.0002","9.797","0.0002","13.2108","0.0002","100.766","0.001","94.837","0.001","105.426","0.001","1141.9","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","2","","Sunkyu Han; Dustin S. Siegel; Karen C. Morrison; Paul J. Hergenrother; Mohammad Movassaghi","Synthesis and Anticancer Activity of All Known (-)-Agelastatin Alkaloids","Journal of Organic Chemistry","2013","78","","11970","11984","10.1021/jo4020112","","","1.54178","CuKα","","0.0446","0.0412","","","0.1046","0.1073","","","","","","1.015","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028820","17.3834","0.0003","17.3834","0.0003","48.1688","0.0014","90","","90","","120","","12605.7","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H36 N2 O3 -","- C23 H24 N2 O3 -","- C414 H432 N36 O54 -","18","3","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54178","CuKα","","0.0942","0.0755","","","0.2105","0.2257","","","","","","1.066","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028821","11.52756","0.00012","11.52756","0.00012","58.0386","0.0007","90","","90","","90","","7712.44","0.15","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C368 H384 N32 O48 -","16","2","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54184","CuKα","","0.0708","0.0695","","","0.1554","0.1559","","","","","","1.138","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028822","8.2592","0.0002","5.45466","0.00016","38.5981","0.001","90","","91.672","0.003","90","","1738.15","0.08","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.5418","CuKα","","0.0473","0.0449","","","0.1189","0.1202","","","","","","1.086","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028823","5.91473","0.00014","17.3076","0.0005","8.6214","0.0002","90","","100.809","0.002","90","","866.91","0.04","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.5418","CuKα","","0.0408","0.0389","","","0.1079","0.1103","","","","","","1.063","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028824","21.8697","0.0014","5.5982","0.0004","22.38","0.003","90","","108.856","0.01","90","","2593","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","2","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.1359","0.0852","","","0.2411","0.2926","","","","","","1.032","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028825","19.701","0.003","10.1591","0.0012","29.095","0.005","90","","102.041","0.014","90","","5695.1","1.5","292.53","0.1","292.53","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C288 H228 N12 O12 -","12","3","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.2162","0.0604","","","0.1548","0.257","","","","","","0.926","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028826","9.841","0.0004","9.5876","0.0004","22.784","0.002","90","","94.824","0.008","90","","2142.1","0.2","291.64","0.1","291.64","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 I2 N O -","- C24 H17 I2 N O -","- C96 H68 I8 N4 O4 -","4","1","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.059","0.0386","","","0.0826","0.0944","","","","","","1.056","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028827","7.2895","0.0007","7.8258","0.0014","16.3446","0.0016","85.433","0.011","83.772","0.008","89.605","0.01","923.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-((<i>tert</i>-butyldimethylsilyl)methylene) -2-(2,4-dinitrophenyl)hydrazine","","- C13 H20 N4 O4 Si -","- C13 H20 N4 O4 Si -","- C26 H40 N8 O8 Si2 -","2","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.2076","0.1399","","","0.3171","0.3382","","","","","","2.802","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028828","7.935","0.002","8.125","0.002","16.481","0.004","85.89","0.02","80.43","0.02","81.21","0.02","1034.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-dinitrophenyl)-2-((triisopropylsilyl)methylene)hydrazine","","- C16 H26 N4 O4 Si -","- C16 H26 N4 O4 Si -","- C32 H52 N8 O8 Si2 -","2","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.1571","0.0877","","","0.2251","0.286","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028829","37.0549","0.0018","7.4656","0.0003","17.9306","0.0008","90","","113.023","0.005","90","","4565.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-((<i>tert</i>-butyldiphenylsilyl)methylene)-2-(2,4-dinitrophenyl)hydrazine","","- C23 H24 N4 O4 Si -","- C23 H24 N4 O4 Si -","- C184 H192 N32 O32 Si8 -","8","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.0942","0.0524","","","0.1061","0.1259","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028830","11.493","0.002","20.119","0.004","14.627","0.003","90","","90.154","0.004","90","","3382.2","1.1","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C54 H101 N9 O13 -","- C54 H101 N9 O13 -","- C108 H202 N18 O26 -","2","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.121","0.1138","","","0.2691","0.2709","","","","","","2.182","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028831","14.9724","0.0015","16.2335","0.0017","38.546","0.004","90","","90","","90","","9368.8","1.7","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-D-Leu-Aib)4-OMe.2H2O.2.48C4H8O2","","- C79.92 H151.84 N12 O21.96 -","- C79.92 H151.84 N12 O21.96 -","- C319.68 H607.36 N48 O87.84 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.084","0.0683","","","0.1776","0.1881","","","","","","1.045","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028832","10.767","0.0012","20.452","0.002","39.305","0.004","90","","90","","90","","8655.2","1.6","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Aib-D-Leu)4-OMe.CH3OH","","- C71 H132 N12 O16 -","- C71 H132 N12 O16 -","- C284 H528 N48 O64 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.0748","0.0731","","","0.2131","0.215","","","","","","1.103","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028833","48.52","0.005","9.321","0.0009","37.635","0.004","90","","107.421","0.002","90","","16240","3","200","2","200","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","Boc-(Leu-Aib-D-Leu-Aib)3-OMe","","- C66 H120 N12 O15 -","- C66 H120 N12 O15 -","- C528 H960 N96 O120 -","8","2","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.1112","0.0983","","","0.2628","0.2682","","","","","","2.232","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028834","10.381","0.0008","14.179","0.0011","14.3223","0.0011","105.91","0.001","103.484","0.001","110.783","0.001","1762.8","0.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-(D-Leu-Leu-Aib)3-OMe","","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","1","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.0792","0.077","","","0.2063","0.2081","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028835","26.6957","0.0013","9.4112","0.0005","13.5643","0.0007","90","","115.845","0.002","90","","3067","0.3","160","","160","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C136 H200 N8 O16 -","8","1","","Xiao-Chuan Cai; Barry B. Snider","Synthesis of the Spiroiminal Moiety and Approaches to the Synthesis of Marineosins A and B","Journal of Organic Chemistry","2013","78","","12161","12175","10.1021/jo402178r","","","0.71073","MoKα","","0.0483","0.0434","","0.1117","0.1042","0.1117","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028836","5.041","0.003","10.187","0.006","10.943","0.007","92.56","0.03","95.52","0.04","101.11","0.04","547.7","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","1","1","","Michael W. Giuliano; Stacy J. Maynard; Aaron M. Almeida; Andrew G. Reidenbach; Li Guo; Emily C. Ulrich; Ilia A. Guzei; Samuel H. Gellman","Evaluation of a Cyclopentane-Based γ-Amino Acid for the Ability to Promote α/γ-Peptide Secondary Structure","Journal of Organic Chemistry","2013","78","","12351","12361","10.1021/jo401501g","","","1.54178","CuKα","","0.0308","0.0307","","","0.0803","0.0805","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028837","11.0418","0.0008","11.3456","0.0009","28.3218","0.0019","90","","93.79","0.007","90","","3540.3","0.4","200.01","0.1","200.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Wen-Juan Hao; Jian-Qiang Wang; Xiao-Ping Xu; Shi-Lei Zhang; Shun-Yi Wang; Shun-Jun Ji","I2/O2-Promoted Domino Reactions of Isatins or 3-Hydroxyindolin-2-one Derivatives with Enaminones","Journal of Organic Chemistry","2013","78","","12362","12373","10.1021/jo401773j","","","0.7107","MoKα","","0.1456","0.0658","","","0.1455","0.1962","","","","","","0.88","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028838","30.901","0.004","30.901","0.004","8.0232","0.0011","90","","90","","90","","7661.1","1.8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H15 I N2 O -","- C22 H15 I N2 O -","- C352 H240 I16 N32 O16 -","16","1","","Wen-Juan Hao; Jian-Qiang Wang; Xiao-Ping Xu; Shi-Lei Zhang; Shun-Yi Wang; Shun-Jun Ji","I2/O2-Promoted Domino Reactions of Isatins or 3-Hydroxyindolin-2-one Derivatives with Enaminones","Journal of Organic Chemistry","2013","78","","12362","12373","10.1021/jo401773j","","","0.7107","MoKα","","0.1324","0.1149","","","0.4048","0.422","","","","","","1.105","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028839","14.273","0.01","9.963","0.007","16.258","0.011","90","","104.948","0.016","90","","2234","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C96 H100 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.1801","0.0956","","","0.2922","0.3456","","","","","","1.061","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028840","26.8945","0.0005","7.7214","0.0002","20.9187","0.0005","90","","91.813","0.002","90","","4341.87","0.17","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 N O3 S -","- C23 H23 Cl2 N O3 S -","- C184 H184 Cl16 N8 O24 S8 -","8","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0526","0.0402","","","0.1141","0.1303","","","","","","1.114","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028841","27.4024","0.0016","7.8236","0.0005","20.6553","0.0013","90","","90.576","0.002","90","","4428","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Br2 N O3 S -","- C23 H23 Br2 N O3 S -","- C184 H184 Br16 N8 O24 S8 -","8","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0468","0.0295","","","0.0775","0.0927","","","","","","1.11","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028842","19.08","0.006","6.626","0.002","20.154","0.006","90","","111.498","0.005","90","","2370.7","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O3 S -","- C26 H29 N O4 S -","- C104 H116 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.1383","0.0685","","","0.175","0.2231","","","","","","0.856","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028843","15.8523","0.0017","7.7562","0.0008","12.8718","0.0015","90","","96.761","0.006","90","","1571.6","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0768","0.0503","","","0.13","0.1487","","","","","","1.05","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028844","13.1578","0.0005","6.6606","0.0002","20.2062","0.0008","90","","90.271","0.003","90","","1770.83","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0947","0.0601","","","0.1643","0.1982","","","","","","1.108","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028845","13.04","0.03","6.146","0.015","19.61","0.05","90","","91.44","0.05","90","","1571","7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.4288","0.0991","","","0.2046","0.403","","","","","","0.881","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028846","8.1142","0.0007","9.5567","0.0008","10.7665","0.001","99.979","0.002","100.197","0.002","91.307","0.003","808.04","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.119","0.0552","","","0.1449","0.1949","","","","","","1.027","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028847","16.9621","0.0003","16.9621","0.0003","9.6648","0.0003","90","","90","","90","","2780.69","0.11","150","","150","","","","","","","","","4","I 4","I 4","79","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C88 H152 N8 O40 -","8","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0465","0.0417","","0.1219","0.1131","0.1219","","","","","","0.9592","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028848","8.8277","0.0003","7.6317","0.0002","14.3944","0.0004","90","","98.519","0.003","90","","959.06","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26.64 N O2 -","- C22 H26.6439 N O2 -","- C44 H53.2878 N2 O4 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0397","0.0368","","0.097","0.0937","0.097","","","","","","0.9969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028849","10.6664","0.0012","7.2589","0.0009","11.7104","0.0014","90","","98.315","0.006","90","","897.16","0.19","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.0798","0.0658","","0.1572","0.1478","0.1572","","","","","","0.9178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028850","9.6934","0.0002","10.0175","0.0002","12.9042","0.0003","90","","108.306","0.001","90","","1189.63","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C50 H70 N2 O8 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.052","0.0416","","0.1074","0.0958","0.1074","","","","","","0.9134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028851","10.6741","0.0008","12.3578","0.0009","15.4377","0.0011","90","","98.518","0.003","90","","2013.9","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","Phomoxanthone A","Phomoxanthone A hemi(ethyl acetate) hemi-hydrate","","- C38 H38 O16 -","- C38 H38 O16 -","- C76 H76 O32 -","2","1","","David Rönsberg; Abdessamad Debbab; Attila Mándi; Vera Vasylyeva; Philip Böhler; Björn Stork; Laura Engelke; Alexandra Hamacher; Richard Sawadogo; Marc Diederich; Victor Wray; WenHan Lin; Matthias U. Kassack; Christoph Janiak; Stefanie Scheu; Sebastian Wesselborg; Tibor Kurtán; Amal H. Aly; Peter Proksch","Pro-Apoptotic and Immunostimulatory Tetrahydroxanthone Dimers from the Endophytic Fungus Phomopsis longicolla","Journal of Organic Chemistry","2013","78","","12409","12425","10.1021/jo402066b","","","1.54178","CuKα","","0.047","0.0461","","","0.1263","0.1271","","","","","","1.079","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028852","20.875","0.004","14.302","0.003","10.553","0.002","90","","102.85","0.03","90","","3071.7","1.1","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","2","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.2375","0.12","","","0.1806","0.216","","","","","","1.879","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028853","5.6271","0.0016","13.257","0.004","20.571","0.007","90","","90","","90","","1534.6","0.8","178","2","178","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C60 H88 O12 S4 -","4","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.0792","0.0582","","","0.1419","0.16","","","","","","1.028","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028854","27.518","0.008","6.7633","0.0013","30.912","0.007","90","","94.103","0.007","90","","5738","2","188","2","188","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N4 O12 -","- C24 H24 N4 O12 -","- C192 H192 N32 O96 -","8","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.1621","0.1071","","","0.2764","0.3373","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028855","10.6535","0.0018","12.7422","0.0018","19.093","0.002","73.751","0.019","75.66","0.02","85.64","0.02","2410.7","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O8 S -","- C22 H24 N2 O8 S -","- C88 H96 N8 O32 S4 -","4","2","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.2753","0.1516","","","0.3048","0.3953","","","","","","1.419","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028856","13.755","0.003","16.362","0.003","10.483","0.002","90","","104.44","0.03","90","","2284.8","0.8","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O7 -","- C25 H26 N2 O7 -","- C100 H104 N8 O28 -","4","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.0904","0.0731","","","0.1981","0.226","","","","","","1.098","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028857","8.3665","0.0005","12.8349","0.0007","13.9064","0.0008","92.895","0.005","90.071","0.005","92.334","0.004","1490.16","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 Fe N3 S -","- C36 H23 Fe N3 S -","- C72 H46 Fe2 N6 S2 -","2","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","0.71073","MoKα","","0.0521","0.0443","","","0.1367","0.1441","","","","","","1.107","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028858","10.7116","0.0002","19.331","0.0003","10.3975","0.0002","90","","115.994","0.002","90","","1935.17","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Fe N3 S -","- C25 H15 Fe N3 S -","- C100 H60 Fe4 N12 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","1.5418","CuKα","","0.0332","0.0308","","","0.0824","0.0841","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028859","14.4585","0.0003","7.5393","0.0001","23.5366","0.0004","90","","96.619","0.002","90","","2548.55","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Fe N2 S -","- C34 H20 Fe N2 S -","- C136 H80 Fe4 N8 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","1.5418","CuKα","","0.0423","0.0323","","","0.0849","0.091","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028860","20.1248","0.0003","8.1436","0.0001","16.4453","0.0003","90","","93.096","0.001","90","","2691.26","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl3 Fe N3 S -","- C31 H20 Cl3 Fe N3 S -","- C124 H80 Cl12 Fe4 N12 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","0.71073","MoKα","","0.0356","0.0302","","","0.0718","0.0755","","","","","","1.027","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028861","11.83","0.002","8.916","0.002","12.804","0.002","90","","99.082","0.009","90","","1333.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-hydroxy-3-(1-hydroxycyclohexyl)-2-methylisoindolin-1-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0525","0.0389","","","0.0972","0.1037","","","","","","1.054","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028862","13.919","0.011","9.284","0.006","14.029","0.009","90","","88.1","0.03","90","","1812","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-tert-butyl-1-hydroxycyclohexyl)-3-hydroxy-2-methylisoindolin-1-one","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0712","0.0467","","","0.1176","0.1321","","","","","","1.048","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028863","8.7086","0.0012","5.7304","0.0006","17.984","0.002","90","","101.455","0.006","90","","879.59","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(propan-2-ylidene)isoindolin-1-one","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0418","0.038","","","0.0969","0.0992","","","","","","1.066","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028864","7.7636","0.0007","16.5858","0.0011","9.1023","0.0007","90","","107.742","0.004","90","","1116.32","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-methyl-3-(2-methylpropylidene)isoindolin-1-one","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0614","0.0436","","","0.1188","0.1252","","","","","","1.103","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028865","8.5149","0.0012","8.6262","0.0013","10.788","0.002","110.318","0.009","103.934","0.007","101.948","0.008","683.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(3-methoxybenzylidene)-2-methylisoindolin-1-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0747","0.0503","","","0.128","0.1367","","","","","","0.956","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028866","7.9701","0.0009","16.241","0.002","10.4629","0.0011","90","","87.44","0.005","90","","1353","0.3","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-3-(benzo[d][1,3]dioxol-5-ylmethylene)-2-methylisoindolin-1-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0731","0.0429","","","0.1006","0.1093","","","","","","1.019","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028867","9.5792","0.0007","11.4148","0.0009","11.4639","0.0007","90","","93.012","0.004","90","","1251.78","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-fluorobenzylidene)-2-methylisoindolin-1-one","","- C16 H12 F N O -","- C16 H12 F N O -","- C64 H48 F4 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0518","0.0393","","","0.1054","0.1108","","","","","","1.069","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028868","10.642","0.005","19.168","0.012","11.125","0.004","90","","111.89","0.02","90","","2105.7","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(2-methylpropylidene)isoindolin-1-one","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","2","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.14","0.0549","","","0.1232","0.1457","","","","","","0.898","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028869","7.135","0.0009","9.5257","0.0015","10.5396","0.0018","101.925","0.006","109.686","0.007","104.211","0.005","620.11","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(2-methoxybenzylidene)isoindolin-1-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0557","0.0407","","","0.1095","0.1142","","","","","","1.063","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028870","8.896","0.002","15.281","0.004","10.5883","0.0018","90","","97.549","0.008","90","","1426.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-benzylidene-4,5-dimethoxyisoindolin-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.096","0.044","","","0.0926","0.1034","","","","","","0.947","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028871","11.1402","0.0004","19.9585","0.0006","8.477","0.0003","90","","105.839","0.004","90","","1813.23","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","1","","Ennaji Najahi; Nicolas Vanthuyne; Françoise Nepveu; Marion Jean; Ibon Alkorta; José Elguero; Christian Roussel","Atropisomerization in N-aryl-2(1H)-pyrimidin-(thi)ones: A Ring-Opening/Rotation/Ring-Closure Process in Place of a Classical Rotation around the Pivot Bond","Journal of Organic Chemistry","2013","78","","12577","12584","10.1021/jo402149f","","","0.71073","MoKα","","0.0563","0.0373","","0.0504","0.0421","0.0403","","","","","","1.1242","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028872","9.809","0.001","10.7205","0.0009","17.2919","0.0016","90","","90","","90","","1818.4","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O8 -","- C17 H20 Br N O8 -","- C68 H80 Br4 N4 O32 -","4","1","","Raquel G. Soengas; Humberto Rodríguez-Solla; Artur M. S. Silva; Ricardo Llavona; Filipe A. Almeida Paz","Synthesis of Enantiopure 2-C-Glycosyl-3-nitrochromenes","Journal of Organic Chemistry","2013","78","","12831","12836","10.1021/jo4021634","","","0.71073","MoKα","","0.0316","0.0269","","","0.0606","0.0624","","","","","","1.05","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028873","8.8179","0.0003","10.3559","0.0004","11.765","0.0004","68.551","0.002","84.289","0.002","65.136","0.002","905.38","0.06","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","1","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","x-ray","0.7107","MoKα","","0.0412","0.0372","","","0.0991","0.1021","","","","","","1.046","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028874","12.4297","0.0002","10.2084","0.0002","16.782","0.0003","90","","108.126","0.001","90","","2023.75","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 O2 -","- C32 H20 O2 -","- C128 H80 O8 -","4","1","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","x-ray","0.7107","MoKα","","0.0948","0.0501","","","0.1007","0.1147","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028875","9.3481","0.0004","15.1543","0.0008","17.5589","0.0008","102.658","0.003","93.541","0.003","92.639","0.003","2417.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","gr1ac367F3","","","- C38 H24 O3 -","- C38 H24 O3 -","- C152 H96 O12 -","4","2","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","","0.71073","MoKα","","0.1675","0.0687","","","0.141","0.1919","","","","","","1.017","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028876","19.732","0.003","9.1276","0.0014","10.1906","0.0016","90","","116.057","0.002","90","","1648.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","0.5","","Jian-Ping Li; Yu Huang; Ming-Sheng Xie; Gui-Rong Qu; Hong-Ying Niu; Hai-Xia Wang; Bo-Wen Qin; Hai-Ming Guo","One-Pot Synthesis of 7,9-Dialkylpurin-8-one Analogues: Broad Substrate Scope","Journal of Organic Chemistry","2013","78","","12629","12636","10.1021/jo402248d","","","0.71073","MoKα","","0.0483","0.0354","","","0.0873","0.0962","","","","","","1.053","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028877","10.8408","0.0004","18.4917","0.0007","9.6835","0.0004","90","","100.102","0.001","90","","1911.11","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N O6 -","- C20 H19 Cl N O6 -","- C80 H76 Cl4 N4 O24 -","4","1","","Ram Tilak Naganaboina; Rama Krishna Peddinti","BF3.Etherate-Mediated Friedel-Crafts Arylation of 2-Hydroxy-1,4-benzoxazines: Synthesis of 2-Aryl-1,4-benzoxazine Derivatives","Journal of Organic Chemistry","2013","78","","12819","12824","10.1021/jo402254n","","","0.71073","MoKα","","0.0542","0.0456","","","0.1491","0.1574","","","","","","1.275","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028878","11.5447","0.0004","14.427","0.0005","19.4717","0.0007","90","","90","","90","","3243.1","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cl3 F6 N4 O2 -","- C31 H29 Cl3 F6 N4 O2 -","- C124 H116 Cl12 F24 N16 O8 -","4","1","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0648","0.0536","","","0.1278","0.1349","","","","","","0.928","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028879","10.532","0.003","10.532","0.003","44.888","0.012","90","","90","","90","","4979","2","153","2","153","2","","","","","","","","5","P 43","P 4cw","78","","","","- C28 H24 F6 N4 O2 -","- C28 H24 F6 N4 O2 -","- C224 H192 F48 N32 O16 -","8","2","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0913","0.0891","","","0.2127","0.2137","","","","","","1.189","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028880","18.621","0.006","9.489","0.003","11.431","0.003","90","","96.732","0.008","90","","2005.9","1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H38 Cl6 F6 N4 O2 -","- C38 H38 Cl6 F6 N4 O2 -","- C76 H76 Cl12 F12 N8 O4 -","2","0.5","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.1","0.0882","","","0.1975","0.2049","","","","","","1.058","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028881","10.244","0.009","8.151","0.003","10.261","0.01","90","","117.66","0.04","90","","758.9","1.1","293","2","298","2","","","","","","","Synthesis","3","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Nared Phetrak; Thanya Rukkijakan; Jakkapan Sirijaraensre; Samran Prabpai; Palangpon Kongsaeree; Chayada Klinchan; Pitak Chuawong","Regioselectivity of Larock Heteroannulation: A Contribution from Electronic Properties of Diarylacetylenes","Journal of Organic Chemistry","2013","78","","12703","12709","10.1021/jo402304s","","x-ray","0.71073","MoKα","","0.0506","0.04","","","0.0953","0.1032","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028882","8.758","0.0003","19.883","0.0006","9.721","0.0003","90","","102.512","0.0013","90","","1652.57","0.09","298","2","298","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Nared Phetrak; Thanya Rukkijakan; Jakkapan Sirijaraensre; Samran Prabpai; Palangpon Kongsaeree; Chayada Klinchan; Pitak Chuawong","Regioselectivity of Larock Heteroannulation: A Contribution from Electronic Properties of Diarylacetylenes","Journal of Organic Chemistry","2013","78","","12703","12709","10.1021/jo402304s","","x-ray","0.71073","MoKα","","0.083","0.0505","","","0.1323","0.1507","","","","","","1.095","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028883","12.3598","0.0007","8.2062","0.0006","14.7005","0.0009","90","","108.807","0.004","90","","1411.42","0.16","99.97","","99.97","","","","","","","","","6","P 1 21 1","P 2yb","4","","(3R,5R)-3-butyl-8-(diethoxyphosphorylmethyl)-3-ethyl-7-methoxy-5- phenyl-4,5-dihydro-2H-benzo[f][1,4]thiazepine 1,1-dioxide","","- C27 H40 N O6 P S -","- C27 H40 N O6 P S -","- C54 H80 N2 O12 P2 S2 -","2","1","","David J. Cowan; Jon L. Collins; Mark B. Mitchell; John A. Ray; Peter W. Sutton; Amy A. Sarjeant; Eric E. Boros","Enzymatic- and Iridium-Catalyzed Asymmetric Synthesis of a Benzothiazepinylphosphonate Bile Acid Transporter Inhibitor","Journal of Organic Chemistry","2013","78","","12726","12734","10.1021/jo402311e","","","1.54184","CuKα","","0.0725","0.0559","","","0.1318","0.1419","","","","","","1.035","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028884","10.6443","0.0005","12.4845","0.0006","12.8966","0.0006","104.609","0.002","96.556","0.002","104.52","0.002","1576.38","0.13","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H37 N O7 -","- C37 H37 N O7 -","- C74 H74 N2 O14 -","2","2","","Tobias Becker; Helmar Görls; Gerhard Pauls; Roland Wedekind; Marco Kai; Stephan H. von Reuß; Wilhelm Boland","Synthesis of Isoxazolin-5-one Glucosides by a Cascade Reaction","Journal of Organic Chemistry","2013","78","","12779","12783","10.1021/jo4023155","","","0.71073","MoKα","","0.0332","0.0299","","","0.0712","0.073","","","","","","1.041","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028885","9.4491","0.0016","12.552","0.002","20.936","0.004","105.802","0.003","90.987","0.003","101.867","0.003","2331.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 Cl N4 -","- C27 H21 Cl N4 -","- C108 H84 Cl4 N16 -","4","2","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0729","0.0611","","","0.1977","0.2094","","","","","","1.049","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028886","7.5666","0.0006","20.5185","0.0017","21.166","0.0018","90","","90","","90","","3286.1","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0611","0.0502","","","0.1308","0.1386","","","","","","1.051","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028887","11.3009","0.0002","7.81","0.0001","20.9263","0.0003","90","","98.766","0.001","90","","1825.38","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Junbo Li; Junkuo Gao; Gang Li; Weiwei Xiong; Qichun Zhang","Azaisoquinolinones: N Positions Tell You Different Stories in Their Optical Properties","Journal of Organic Chemistry","2013","78","","12760","12768","10.1021/jo402338n","","","1.54178","CuKα","","0.0469","0.038","","","0.1203","0.1334","","","","","","0.99","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028888","14.3831","0.0004","9.8993","0.0003","14.8185","0.0005","90","","102.054","0.001","90","","2063.38","0.11","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C92 H92 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028889","10.6695","0.0008","18.7483","0.0014","23.9407","0.0018","90","","98.397","0.002","90","","4737.6","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C156 H189 Cl23 N16 O48 P4 Si4 -","4","2","","Le Clézio, Ingrid; Gornitzka, Heinz; Escudier, Jean-Marc; Vigroux, Alain","Constrained Nucleic Acids (CNA). Part 2. Synthesis of Conformationally Restricted Dinucleotide Units Featuring Noncanonical α/β/γ or δ/ε/ζ Torsion Angle Combinations","The Journal of Organic Chemistry","2005","70","5","1620","1629","10.1021/jo048136t","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028892","9.6373","0.0016","18.901","0.003","11.2859","0.0018","90","","109.531","0.003","90","","1937.5","0.5","293","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 B2 F8 N2 S4 -","- C36 H36 B2 F8 N2 S4 -","- C72 H72 B4 F16 N4 S8 -","2","0.5","","Shine, Henry J.; Rangappa, Paramashivappa; Marx, John N.; Shelly, Dennis C.; Ould-Ely, Teyeb; Whitmire, Kenton H.","Adducts of Thianthrene- and Phenoxathiin Cation Radical Salts with Symmetrical Alkynes. Structure and Formation of Cumulenes on Alumina Leading to α-Diketones, α-Hydroxyalkynes, and α-Acetamidoalkynes","The Journal of Organic Chemistry","2005","70","10","3877","3883","10.1021/jo050198b","","","0.71073","MoKα","","0.157","0.0878","","","0.2134","0.2444","","","","","","1.201","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028897","7.5353","0.0003","21.1912","0.0016","22.4218","0.0009","90","","90","","90","","3580.4","0.3","170","2","170","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C18 H18 N2 O6 S -","- C18 H18 N2 O6 S -","- C144 H144 N16 O48 S8 -","8","2","","Declerck, Valérie; Allouchi, Hassan; Martinez, Jean; Lamaty, Frédéric","2-Trimethylsilylethanesulfonyl (SES) versus Tosyl (Ts) Protecting Group in the Preparation of Nitrogen-Containing Five-Membered Rings. A Novel Route for the Synthesis of Substituted Pyrrolines and Pyrrolidines","The Journal of Organic Chemistry","2007","72","4","1518","1521","10.1021/jo062239p","","","0.71073","MoKα","","0.0908","0.0725","","","0.1826","0.1892","","","","","","1.064","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028901","13.1564","0.0002","17.7285","0.0003","35.5821","0.0006","90","","92.513","0.0007","90","","8291.3","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H99 N8 O54.5 -","- C62 H54 N8 O54.5 -","- C248 H216 N32 O218 -","4","2","","Nishimura, Dai; Oshikiri, Tomoya; Takashima, Yoshinori; Hashidzume, Akihito; Yamaguchi, Hiroyasu; Harada, Akira","Relative Rotational Motion between α-Cyclodextrin Derivatives and a Stiff Axle Molecule","The Journal of Organic Chemistry","2008","73","7","2496","2502","10.1021/jo702237q","","","1.54187","CuKα","","","0.101","","","","0.3037","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028903","8.785","0.0001","11.705","0.0002","18.742","0.0003","90","","90.368","0.001","90","","1927.17","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B N3 O2 -","- C21 H24 B N3 O2 -","- C84 H96 B4 N12 O8 -","4","1","","Scrafton, David K.; Taylor, James E.; Mahon, Mary F.; Fossey, John S.; James, Tony D.","“Click-fluors”: Modular Fluorescent Saccharide Sensors Based on a 1,2,3-Triazole Ring","The Journal of Organic Chemistry","2008","73","7","2871","2874","10.1021/jo702584u","","","0.71073","MoKα","","0.0565","0.0403","","","0.0924","0.1013","","","","","","1.028","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028904","7.4177","0.0003","10.121","0.0004","19.643","0.0008","90","","96.026","0.002","90","","1466.54","0.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.71073","MoKα","","0.0895","0.059","","","0.1784","0.1913","","","","","","1.135","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4028905","7.146","0.007","17.894","0.006","7.051","0.002","96.66","0.03","96.2","0.04","81.62","0.05","882.2","1","294.2","","294","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.7107","MoKα","","","0.0565","","","","0.0609","","","","","","1.439","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028906","6.448","0.008","6.734","0.008","11.712","0.014","102.27","0.03","104.14","0.03","93.99","0.03","477.9","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(2S,3S,E)-2,3-dimethylhex-4-encarboxylic acid","","- C9 H16 O2 -","- C9 H16 O2 -","- C18 H32 O4 -","2","1","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.71073","MoKα","","0.1665","0.0744","","","0.1764","0.2832","","","","","","0.567","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028907","15.2653","0.0005","6.7207","0.0002","9.7681","0.0003","90","","99.762","0.002","90","","987.63","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2S,3S,E)-2,3-dimethylhex-4-enamide","","- C9 H17 N O -","- C9 H17 N O -","- C36 H68 N4 O4 -","4","1","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.71073","MoKα","","0.076","0.0458","","","0.122","0.1668","","","","","","0.751","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028908","14.316","0.011","7.443","0.006","31.78","0.03","90","","90","","90","","3386","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2R,3R,E)-2-cyano-2,3,4-trimethylhex-4-enyl 4-nitrobenzoate","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.71073","MoKα","","0.055","0.0436","","","0.1358","0.1517","","","","","","0.929","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028909","9.4268","0.0003","12.7366","0.0004","15.5699","0.0005","89.959","0.002","90.034","0.002","89.989","0.002","1869.41","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2R*, 3S*)-2,3-Diphenyl-2-phenylsulfanyl-butyronitrile","","- C19 H22 N S -","- C16.8 H13.2 N0.8 S0.8 -","- C84 H66 N4 S4 -","5","2.5","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.71073","MoKα","","0.3316","0.2055","","","0.5264","0.5918","","","","","","1.865","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028910","10.334","0.003","11.054","0.001","10.822","0.003","90","","94.57","0.02","90","","1232.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Morgan, Ian R.; Yazici, Arife; Pyne, Stephen G.; Skelton, Brian W.","Diastereoselective Ritter Reactions of Chiral CyclicN-Acyliminium Ions: Synthesis of Pyrido- and Pyrrolo[2,3-d]oxazoles and 4-Hydroxy-5-N-acylaminopyrrolidines and 5-Hydroxy-6-N-acylaminopiperidines","The Journal of Organic Chemistry","2008","73","7","2943","2946","10.1021/jo800007g","","","0.71073","MoKα","","0.0618","0.0388","","","0.0976","0.1046","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028911","9.2974","0.0004","7.5545","0.0002","10.728","0.0004","90","","102.224","0.004","90","","736.42","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C30 H40 N4 O8 -","2","1","","Morgan, Ian R.; Yazici, Arife; Pyne, Stephen G.; Skelton, Brian W.","Diastereoselective Ritter Reactions of Chiral CyclicN-Acyliminium Ions: Synthesis of Pyrido- and Pyrrolo[2,3-d]oxazoles and 4-Hydroxy-5-N-acylaminopyrrolidines and 5-Hydroxy-6-N-acylaminopiperidines","The Journal of Organic Chemistry","2008","73","7","2943","2946","10.1021/jo800007g","","","0.71073","MoKα","","0.0569","0.0393","","","0.0753","0.0801","","","","","","0.968","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028912","9.2263","0.0005","9.6271","0.0005","10.3118","0.0004","104.491","0.004","110.487","0.004","91.622","0.004","823.89","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C34 H48 N4 O8 -","2","1","","Morgan, Ian R.; Yazici, Arife; Pyne, Stephen G.; Skelton, Brian W.","Diastereoselective Ritter Reactions of Chiral CyclicN-Acyliminium Ions: Synthesis of Pyrido- and Pyrrolo[2,3-d]oxazoles and 4-Hydroxy-5-N-acylaminopyrrolidines and 5-Hydroxy-6-N-acylaminopiperidines","The Journal of Organic Chemistry","2008","73","7","2943","2946","10.1021/jo800007g","","","0.71073","MoKα","","0.0559","0.0439","","","0.1328","0.142","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028913","7.2071","0.0018","15.029","0.003","13.526","0.004","90","","104.71","0.02","90","","1417.1","0.6","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1,4-Dimethyl-5-benzyl-2,3-piperazinedithone","","- C13 H16 N2 S2 -","- C13 H16 N2 S2 -","- C52 H64 N8 S8 -","4","2","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0625","0.0438","","","0.0784","0.0849","","","","","","0.953","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028914","6.609","0.0003","6.609","0.0003","18.8339","0.0015","90","","90","","90","","822.64","0.08","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(9R,10R)-2,3-Decahydrobenzopyrazinodione","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0471","0.0367","","","0.0865","0.0962","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028915","6.981","0.0001","6.981","0.0001","24.2018","0.0007","90","","90","","90","","1179.46","0.04","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(R)-5-Methyl-2,3-piperazynodione","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C40 H64 N16 O16 -","8","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0316","0.0282","","","0.0702","0.0736","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028916","7.8934","0.0002","9.044","0.0002","11.2187","0.0003","90","","90","","90","","800.88","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1,4,5-Trimethyl-2,3-piperazynodione","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C28 H48 N8 O8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0338","0.0304","","","0.0793","0.0828","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028917","6.403","0.0012","11.526","0.002","12.735","0.003","90","","90","","90","","939.9","0.3","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","148C","(R)-1,4,5-Trimethyl-2,3-piperazinodithione","","- C7 H12 N2 S2 -","- C7 H12 N2 S2 -","- C28 H48 N8 S8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0422","0.0402","","","0.0936","0.0949","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028918","14.4997","0.0015","5.9482","0.0007","16.7914","0.0017","90","","94.631","0.009","90","","1443.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S,6S)-5,6-Diphenyl-2,3- piperazinedione bis(pentafluorobenzoic acid) monohydrate","","- C30 H18 F10 N2 O7 -","- C30 H18 F10 N2 O7 -","- C60 H36 F20 N4 O14 -","2","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.06","0.0297","","","0.0526","0.0633","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028919","12.405","0.002","6.9058","0.001","11.003","0.0012","90","","90","","90","","942.6","0.2","200","2","200","2","","","","","","","","4","P 2 2 21","P 2c 2","17","","(5S,6S)-5,6-Diphenyl-2,3- piperazinedione tetrahydrofuran solvate (1:1)","","- C20 H22 N2 O3 -","- C20 H14 N2 O3 -","- C40 H28 N4 O6 -","2","0.5","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0942","0.059","","","0.1558","0.1846","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4028920","23.6192","0.001","6.7822","0.0003","16.8873","0.0006","90","","119.234","0.004","90","","2360.63","0.19","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","(5S,6S)-1,4-Dimethyl-5,6-diphenyl-2,3-piperazinedione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C108 H108 N12 O12 -","6","1.5","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0415","0.0314","","","0.0794","0.0867","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028921","7.3532","0.0005","8.6308","0.0006","18.8901","0.0013","90","","90","","90","","1198.84","0.14","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1,4-Dimethyl-5-benzyl-2,3-piperazinedione","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0485","0.0365","","","0.0811","0.0862","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028922","10.2156","0.0011","14.1494","0.0012","9.4788","0.0008","90","","90","","90","","1370.1","0.2","130","2","130","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(S)-1,4-Dimethyl-5-benzyl-2,3-piperazinedithone","","- C13 H16 N2 S2 -","- C13 H16 N2 S2 -","- C52 H64 N8 S8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0376","0.0288","","","0.0591","0.0616","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028923","9.594","0.003","10.695","0.004","17.058","0.006","98.626","0.006","95.024","0.006","108.664","0.006","1622.2","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H33 N O5 P2 -","- C41 H33 N O5 P2 -","- C82 H66 N2 O10 P4 -","2","1","","Wu, Liqiong; Feng, Li; Zhang, Hong; Liu, Qixuan; He, Xumin; Yang, Fangzu; Xia, Haiping","Synthesis and Characterization of a Novel Dialdehyde and Cyclic Anhydride","The Journal of Organic Chemistry","2008","73","7","2883","2885","10.1021/jo800052u","","","0.71073","MoKα","","0.0729","0.0561","","","0.1469","0.1619","","","","","","1.003","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028924","16.8145","0.0005","12.2319","0.0004","17.1881","0.0005","90","","95.017","0.003","90","","3521.59","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 Cl O7 P2 -","- C41 H31 Cl O7 P2 -","- C164 H124 Cl4 O28 P8 -","4","1","","Wu, Liqiong; Feng, Li; Zhang, Hong; Liu, Qixuan; He, Xumin; Yang, Fangzu; Xia, Haiping","Synthesis and Characterization of a Novel Dialdehyde and Cyclic Anhydride","The Journal of Organic Chemistry","2008","73","7","2883","2885","10.1021/jo800052u","","","0.71073","MoKα","","0.0951","0.0399","","","0.0573","0.0649","","","","","","1.03","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028926","10.941","0.001","12.209","0.001","19.061","0.002","91.43","0.01","103.31","0.01","101.65","0.01","2419.9","0.4","293","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H48 S4 -","- C61 H48 S4 -","- C122 H96 S8 -","2","1","","Pouchain, Laurent; Alévêque, Olivier; Nicolas, Yohann; Oger, Agathe; Le Régent, Charles-Henri; Allain, Magali; Blanchard, Philippe; Roncali, Jean","Quaterthiophenes with Terminal Indeno[1,2-b]thiophene Units asp-Type Organic Semiconductors","The Journal of Organic Chemistry","2009","74","3","1054","1064","10.1021/jo802028n","","x-ray","0.71073","MoKα","","","0.0527","","","","0.1656","","","","","","0.92","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028927","9.3373","0.0001","19.3871","0.0003","16.8614","0.0003","90","","103.728","0.0009","90","","2965.11","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N4 O6 -","- C33 H34 N4 O6 -","- C132 H136 N16 O24 -","4","1","","Scheffelaar, Rachel; Nijenhuis, Roel A. Klein; Paravidino, Monica; Lutz, Martin; Spek, Anthony L.; Ehlers, Andreas W.; de Kanter, Frans J. J.; Groen, Marinus B.; Orru, Romano V. A.; Ruijter, Eelco","Synthesis of Conformationally Constrained Peptidomimetics using Multicomponent Reactions","The Journal of Organic Chemistry","2009","74","2","660","668","10.1021/jo802052j","","","0.71073","MoKα","","0.074","0.0455","","","0.0959","0.1068","","","","","","1.023","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028928","7.9423","0.0019","7.9423","0.0019","16.974","0.009","90","","90","","90","","1070.7","0.7","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C40 H48 N8 O12 -","4","1","","Fowler, Sarah A.; Luechapanichkul, Rinrada; Blackwell, Helen E.","Synthesis and Characterization of Nitroaromatic Peptoids: Fine Tuning Peptoid Secondary Structure through Monomer Position and Functionality","The Journal of Organic Chemistry","2009","74","4","1440","1449","10.1021/jo8023363","","","0.71073","Mo-Kα","","0.0845","0.0388","","","0.0737","0.0892","","","","","","0.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028929","9.3857","0.0002","18.8304","0.0004","23.3405","0.0006","90","","91.572","0.001","90","","4123.57","0.16","90","1","90","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O2 S -","- C23 H29 N O2 S -","- C184 H232 N8 O16 S8 -","8","2","","Kalbarczyk, Kyle P.; Diver, Steven T.","Enyne Metathesis/Brønsted Acid-Promoted Heterocyclization","The Journal of Organic Chemistry","2009","74","5","2193","2196","10.1021/jo802582k","","","0.71073","MoKα","","0.0384","0.0329","","","0.0834","0.0877","","","","","","1.015","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028930","7.335","0.003","12.541","0.005","14.091","0.005","91.456","0.006","90.034","0.006","103.156","0.006","1261.8","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 F N3 O2 -","- C30 H30 F N3 O2 -","- C60 H60 F2 N6 O4 -","2","1","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.2142","0.1964","","","0.4563","0.469","","","","","","1.219","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028931","30.524","0.008","18.141","0.005","9.129","0.002","90","","97.13","0.005","90","","5016","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 N2 O3 -","- C29 H30 N2 O3 -","- C232 H240 N16 O24 -","8","1","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.0819","0.0508","","","0.1301","0.1559","","","","","","1.087","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028932","7.713","0.003","23.147","0.007","16.773","0.005","90","","93.335","0.007","90","","2989.5","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.2116","0.2036","","","0.3923","0.3971","","","","","","1.377","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028933","8.0353","0.0013","34.944","0.006","20.106","0.003","90","","95.283","0.003","90","","5621.5","1.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 F2 I N2 O3.5 -","- C30 H30 F2 I N2 O3.5 -","- C240 H240 F16 I8 N16 O28 -","8","2","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.0656","0.0617","","","0.1395","0.1516","","","","","","1.16","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028934","7.8658","0.0007","8.6374","0.0008","15.3824","0.0016","90","","99.533","0.005","90","","1030.65","0.17","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0387","0.0359","","","0.0812","0.0826","","","","","","1.06","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028935","8.2939","0.0005","12.875","0.0006","27.3006","0.0014","90","","90","","90","","2915.3","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C144 H96 N16 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0508","0.0471","","","0.1126","0.1149","","","","","","1.122","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028936","13.4303","0.0007","7.8903","0.0004","13.9246","0.0006","90","","91.425","0.003","90","","1475.12","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0505","0.0391","","","0.0885","0.0941","","","","","","1.04","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028937","13.7192","0.0007","7.4109","0.0004","15.3928","0.0007","90","","93.948","0.002","90","","1561.3","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O4 -","- C18 H11 Cl N2 O4 -","- C72 H44 Cl4 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0431","0.0353","","","0.0894","0.0944","","","","","","1.043","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028938","13.965","0.0006","7.3292","0.0003","15.6911","0.0006","90","","95.712","0.002","90","","1598.05","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0433","0.0358","","","0.0912","0.0961","","","","","","1.059","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028939","8.7943","0.0018","18.422","0.004","19.814","0.004","90","","92.353","0.009","90","","3207.3","1.2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Cl N3 O2 -","- C19 H12 Cl N3 O2 -","- C152 H96 Cl8 N24 O16 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0605","0.0525","","","0.1389","0.1452","","","","","","1.043","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028940","5.8491","0.0003","27.7737","0.0012","8.361","0.0004","90","","95.084","0.002","90","","1352.91","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H9 Cl N2 O3 -","- C15 H9 Cl N2 O3 -","- C60 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0423","0.0375","","","0.0955","0.0985","","","","","","1.06","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028941","8.7692","0.0005","10.0582","0.0006","10.4679","0.0006","115.933","0.002","92.721","0.003","112.118","0.002","743.87","0.08","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C32 H24 N4 O6 S2 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0343","0.0315","","","0.081","0.0828","","","","","","1.047","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028942","7.2945","0.0006","12.4389","0.0012","18.2616","0.0018","90","","96.102","0.005","90","","1647.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C72 H56 N16 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0531","0.0431","","","0.1076","0.1139","","","","","","1.059","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028943","7.1324","0.0009","7.417","0.0009","18.265","0.002","90","","101.203","0.006","90","","947.8","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N3 O3 -","- C21 H18 Cl N3 O3 -","- C42 H36 Cl2 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0614","0.049","","","0.1125","0.1187","","","","","","1.077","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028944","11.4248","0.0008","15.8816","0.0011","21.3075","0.0016","90","","90","","90","","3866.1","0.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C176 H168 N24 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0982","0.0649","","","0.1319","0.1445","","","","","","1.104","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028945","7.0163","0.001","13.875","0.002","39.05","0.005","90","","90","","90","","3801.6","0.9","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 O5 -","- C21 H18 N4 O5 -","- C168 H144 N32 O40 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0558","0.0455","","","0.1123","0.119","","","","","","1.035","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028946","13.6352","0.0016","7.6099","0.0008","21.144","0.002","90","","105.61","0.006","90","","2113","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H18 Cl N3 O3 -","- C25 H18 Cl N3 O3 -","- C100 H72 Cl4 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0956","0.0777","","","0.1578","0.1652","","","","","","1.193","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028947","8.0233","0.0001","13.3098","0.0002","13.8934","0.0002","90.0471","0.0009","98.014","0.001","92.658","0.001","1467.55","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H15 Br O2 S -","- C15 H15 Br O2 S -","- C60 H60 Br4 O8 S4 -","4","4","","García Ruano, José L.; Alemán, José; Parra, Alejandro; Alcudia, Ana; Maya, Celia","Synthesis and Stereoselective Halogenolysis of Optically Pure Benzylstannanes","The Journal of Organic Chemistry","2009","74","5","2145","2152","10.1021/jo802725r","","","0.71073","MoKα","","0.0447","0.0411","","","0.1078","0.1101","","","","","","1.035","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028948","9.7176","0.0007","11.7376","0.0009","12.5854","0.0009","90","","103.468","0.003","90","","1396.03","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H30 O2 S Sn -","- C33 H30 O2 S Sn -","- C66 H60 O4 S2 Sn2 -","2","1","","García Ruano, José L.; Alemán, José; Parra, Alejandro; Alcudia, Ana; Maya, Celia","Synthesis and Stereoselective Halogenolysis of Optically Pure Benzylstannanes","The Journal of Organic Chemistry","2009","74","5","2145","2152","10.1021/jo802725r","","","0.71073","MoKα","","0.0237","0.0206","","","0.046","0.0469","","","","","","1.048","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028950","12.2561","0.0006","9.8431","0.0005","14.5414","0.0007","90","","99.445","0.001","90","","1730.46","0.15","103","1","103","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Kumpaty, Hephzibah J.; Van Linn, Michael L.; Kabir, M. Shahjahan; Försterling, F. Holger; Deschamps, Jeffrey R.; Cook, James M.","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","The Journal of Organic Chemistry","2009","74","7","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0729","0.0456","","","0.1034","0.1151","","","","","","1.017","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028951","7.7011","0.0005","7.6079","0.0005","38.271","0.003","90","","93.031","0.001","90","","2239.1","0.3","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N3 O4 -","- C27 H25 N3 O4 -","- C108 H100 N12 O16 -","4","2","","Kumpaty, Hephzibah J.; Van Linn, Michael L.; Kabir, M. Shahjahan; Försterling, F. Holger; Deschamps, Jeffrey R.; Cook, James M.","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","The Journal of Organic Chemistry","2009","74","7","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0386","0.0342","","","0.0802","0.0826","","","","","","1.014","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028952","5.9404","0.0004","12.3076","0.0008","21.338","0.003","90","","90","","90","","1560.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C56 H100 N4 O24 -","4","1","","Aravind, Appu; Sankar, Muthukumar Gomathi; Varghese, Babu; Baskaran, Sundarababu","Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol","The Journal of Organic Chemistry","2009","74","7","2858","2861","10.1021/jo900030p","","","1.5418","CuKα","","0.0278","0.027","","","0.0724","0.0732","","","","","","1.119","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028953","6.109","0.0002","9.86","0.0004","15.031","0.0006","75.552","0.002","81.201","0.002","76.698","0.002","848.83","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","2","","Malkov, Andrei V.; Vranková, Kvetoslava; Stončius, Sigitas; Kočovský, Pavel","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations†","The Journal of Organic Chemistry","2009","74","16","5839","5849","10.1021/jo900561h","","x-ray","0.71073","MoKα","","0.0593","0.0463","","","0.1088","0.1152","","","","","","1.037","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028955","11.5444","0.0002","9.1904","0.0002","25.0286","0.0005","90","","95.469","0.001","90","","2643.39","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[rel-(3aR,11bS,12S,16R)-2,14-Diethyl-2,3,3a,6,7,8,9,10,11,11b,13,14,15,16-tetradecahydro-1,3,13,15-tetraoxo-12H-4,11a[3',4']-endo-pyrrolocyclooct[e]isoindol-4(1H)-yl]benzamide","","- C29 H33 N3 O5 -","- C29 H33 N3 O5 -","- C116 H132 N12 O20 -","4","1","","Kranjc, Kris̆tof; Perdih, Franc; Koc̆evar, Marijan","Effect of Ring Size on theExo/EndoSelectivity of a Thermal Double Cycloaddition of Fused Pyran-2-ones","The Journal of Organic Chemistry","2009","74","16","6303","6306","10.1021/jo9011199","","","0.71073","MoKα","","0.0843","0.0492","","","0.1139","0.1324","","","","","","1.034","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028956","20.485","0.003","9.563","0.001","7.049","0.001","78.92","0.01","81.79","0.01","76.67","0.02","1311.6","0.3","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N3 O -","- C29 H29 N3 O -","- C58 H58 N6 O2 -","2","1","","Andreu, Raquel; Carrasquer, Laura; Franco, Santiago; Garín, Javier; Orduna, Jesús; Martínez de Baroja, Natalia; Alicante, Raquel; Villacampa, Belén; Allain, Magali","4H-Pyran-4-ylidenes: Strong Proaromatic Donors for Organic Nonlinear Optical Chromophores","The Journal of Organic Chemistry","2009","74","17","6647","6657","10.1021/jo901142f","","x-ray","0.71073","MoKα","","","0.0542","","","","0.1521","","","","","","0.854","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028957","10.34","0.001","12.56","0.001","16.843","0.002","90","","91.12","0.01","90","","2187","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Andreu, Raquel; Carrasquer, Laura; Franco, Santiago; Garín, Javier; Orduna, Jesús; Martínez de Baroja, Natalia; Alicante, Raquel; Villacampa, Belén; Allain, Magali","4H-Pyran-4-ylidenes: Strong Proaromatic Donors for Organic Nonlinear Optical Chromophores","The Journal of Organic Chemistry","2009","74","17","6647","6657","10.1021/jo901142f","","x-ray","0.71073","MoKα","","","0.044","","","","0.1139","","","","","","0.881","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028959","13.1766","0.0008","13.2035","0.0008","17.3898","0.0009","86.611","0.005","88.651","0.005","75.546","0.006","2924.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 N O4 Si -","- C32 H39 N O4 Si -","- C128 H156 N4 O16 Si4 -","4","2","","Desrat, Sandy; van de Weghe, Pierre","Intramolecular Imino Diels−Alder Reaction: Progress toward the Synthesis of Uncialamycin","The Journal of Organic Chemistry","2009","74","17","6728","6734","10.1021/jo901291t","","","0.71069","MoKα","","0.1519","0.0555","","","0.1157","0.1249","","","","","","0.808","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028960","16.611","0.0004","11.5186","0.0003","9.8507","0.0002","90","","99.385","0.001","90","","1859.56","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","Paquette 1523","","","- C19 H22 N2 O7 -","- C19 H22 N2 O7 -","- C76 H88 N8 O28 -","4","1","","Wang, Xiaozhao; Butler, Sean C.; Gallucci, Judith C.; Paquette, Leo A.","Enolization Regioselectivity Involving Stereoisomeric 4a-Methyl-5-methoxyperhydrobenzo[7]annulen-2-ones","The Journal of Organic Chemistry","2009","74","17","6825","6830","10.1021/jo901391d","","x-ray","0.71073","MoKα","","0.0651","0.047","","","0.1234","0.1349","","","","","","1.028","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028961","11.6926","0.0004","17.3098","0.0006","11.6041","0.0004","90","","99.333","0.002","90","","2317.54","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O3 -","- C31 H24 O3 -","- C124 H96 O12 -","4","1","","Sánchez-Larios, Eduardo; Gravel, Michel","Diastereoselective Synthesis of Indanes via a Domino Stetter−Michael Reaction","The Journal of Organic Chemistry","2009","74","19","7536","7539","10.1021/jo901468h","","","1.54184","CuKα","","0.0685","0.0545","","","0.1469","0.1627","","","","","","1.022","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028963","8.7338","0.001","13.3618","0.0017","14.4726","0.0019","111.142","0.015","93.977","0.015","92.936","0.015","1566.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38.5 N O2 P -","- C35 H38 N O2 P -","- C70 H76 N2 O4 P2 -","2","1","","Öberg, Elisabet; Schäfer, Bernhard; Geng, Xue-Li; Pettersson, Jenny; Hu, Qi; Kritikos, Mikael; Rasmussen, Torben; Ott, Sascha","C,C-Diacetylenic Phosphaalkenes as Heavy Diethynylethene Analogues","The Journal of Organic Chemistry","2009","74","24","9265","9273","10.1021/jo901942u","","","0.71073","MoKα","","0.1279","0.0523","","","0.1156","0.1445","","","","","","0.826","","","","has coordinates","219040","2020-10-21","18:00:00",""
"4028965","9.277","0.005","10.25","0.005","11.192","0.005","83.586","0.005","88.685","0.005","76.696","0.005","1029.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Cakici, Murat; Karabuga, Semistan; Kilic, Hamdullah; Ulukanli, Sabri; Şahin, Ertan; Sevin, Fatma","Diastereoselective Control Through Hydrogen Bonding in the Aziridination of the Chiral Allylic Alcohols by Acetoxyaminoquinazolinone","The Journal of Organic Chemistry","2009","74","24","9452","9459","10.1021/jo902092s","","","0.71073","MoKα","","0.1202","0.0801","","","0.1834","0.2036","","","","","","1.144","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028966","8.2049","0.0002","8.9126","0.0001","11.0202","0.0001","72.415","0.004","87.435","0.004","85.548","0.005","765.71","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Cakici, Murat; Karabuga, Semistan; Kilic, Hamdullah; Ulukanli, Sabri; Şahin, Ertan; Sevin, Fatma","Diastereoselective Control Through Hydrogen Bonding in the Aziridination of the Chiral Allylic Alcohols by Acetoxyaminoquinazolinone","The Journal of Organic Chemistry","2009","74","24","9452","9459","10.1021/jo902092s","","","0.71073","MoKα","","0.093","0.0603","","","0.1645","0.1907","","","","","","1.089","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028970","11.7435","0.0012","19.993","0.002","12.8657","0.0013","90","","101.902","0.002","90","","2955.8","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl3 N3 O4 -","- C30 H27 Cl3 N3 O4 -","- C120 H108 Cl12 N12 O16 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0734","0.0652","","","0.1822","0.1928","","","","","","1.048","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028971","5.8881","0.0007","13.3081","0.0017","16.604","0.002","90","","95.657","0.011","90","","1294.7","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0611","0.044","","","0.13","0.1479","","","","","","0.938","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028972","13.8909","0.0009","7.4062","0.0007","14.4885","0.001","90","","97.241","0.007","90","","1478.7","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0878","0.0712","","","0.2083","0.2296","","","","","","1.051","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028973","15.764","0.008","6.382","0.003","17.533","0.009","90","","114.882","0.008","90","","1600.2","1.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.1033","0.0971","","","0.1914","0.194","","","","","","1.363","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028974","18.23","0.001","17.294","0.001","18.513","0.001","90","","99.26","0.001","90","","5760.5","0.6","173","1","173","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H80 O5 -","- C65 H80 O5 -","- C260 H320 O20 -","4","1","","Poms, David; Itzhak, Norbert; Kuno, Lev; Biali, Silvio E.","Calixradialenes: calixarene derivatives with exocyclic double bonds.","The Journal of organic chemistry","2014","79","2","538","545","10.1021/jo402223x","","","0.71073","MoKα","","0.1024","0.0961","","","0.1914","0.1945","","","","","","1.33","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028975","15.927","0.001","19.085","0.001","24.566","0.002","90","","95.843","0.001","90","","7428.5","0.9","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H81 N O8.5 -","- C80 H81 N O8.5 -","- C320 H324 N4 O34 -","4","1","","Poms, David; Itzhak, Norbert; Kuno, Lev; Biali, Silvio E.","Calixradialenes: calixarene derivatives with exocyclic double bonds.","The Journal of organic chemistry","2014","79","2","538","545","10.1021/jo402223x","","","0.71073","MoKα","","0.1132","0.0978","","","0.2436","0.256","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028976","36.1535","0.0013","36.1535","0.0013","12.2934","0.0005","90","","90","","120","","13915.6","0.9","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H30 N2 S3 -","- C40 H30 N2 S3 -","- C720 H540 N36 S54 -","18","1","","Kato, Shin-Ichiro; Shimizu, Satoru; Kobayashi, Atsushi; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Systematic structure-property investigations on a series of alternating carbazole-thiophene oligomers.","The Journal of organic chemistry","2014","79","2","618","629","10.1021/jo402416f","","","0.7107","MoKα","","0.0916","0.0906","","","0.2119","0.2131","","","","","","1.202","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028977","10.0598","0.0005","10.3875","0.0005","27.6339","0.0014","90","","90","","90","","2887.6","0.2","153","","153","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 I O4 Si -","- C30 H39 I O4 Si -","- C120 H156 I4 O16 Si4 -","4","1","","Akahori, Yoshihiro; Yamakoshi, Hiroyuki; Sawayama, Yuki; Hashimoto, Shunichi; Nakamura, Seiichi","Synthesis of Chiral Building Blocks for Oxygenated Terpenoids through a Simultaneous and Stereocontrolled Construction of Contiguous Quaternary Stereocenters by an Ireland-Claisen Rearrangement.","The Journal of organic chemistry","2014","79","2","720","735","10.1021/jo402537u","","","0.71073","MoKα","","0.0274","0.0264","","","0.0624","0.0629","","","","","","1.021","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028978","6.9874","0.0002","15.0838","0.0006","10.7658","0.0004","90","","92.493","0.003","90","","1133.6","0.07","100.35","0.1","100.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 B2 Br2 O4 -","- C20 H30 B2 Br2 O4 -","- C40 H60 B4 Br4 O8 -","2","1","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0356","0.0311","","","0.0635","0.0665","","","","","","1.031","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028979","10.995","0.0005","15.2779","0.0007","9.2804","0.0004","90","","94.845","0.004","90","","1553.36","0.12","100.25","0.1","100.25","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 B Br2 O2 -","- C14 H19 B Br2 O2 -","- C56 H76 B4 Br8 O8 -","4","0.5","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0321","0.024","","","0.0517","0.0554","","","","","","1.049","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028980","7.7199","0.0003","20.8635","0.0008","10.065","0.0003","90","","102.553","0.004","90","","1582.36","0.1","100.4","0.1","100.4","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 B Br2 O2 -","- C14 H19 B Br2 O2 -","- C56 H76 B4 Br8 O8 -","4","1","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0411","0.0309","","","0.0706","0.0757","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028981","19.0571","0.0003","26.6288","0.0004","22.2563","0.0004","90","","100.207","0.0016","90","","11115.6","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 Br2 O4 -","- C26 H34 B2 Br2 O4 -","- C416 H544 B32 Br32 O64 -","16","4","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","1.5418","CuKα","","0.0811","0.0743","","","0.1982","0.2044","","","","","","1.067","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028982","10.893","0.002","11.806","0.002","11.988","0.002","77.45","0.03","79.49","0.03","72.23","0.03","1421.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bridged-bisheterocycle_(3a)","","","- C30 H29 N3 O7 S -","- C30 H29 N3 O7 S -","- C60 H58 N6 O14 S2 -","2","1","","Dang, Ling; Liang, Libo; Qian, Cheng; Fu, Meiqin; Ma, Tongmei; Xu, Dingguo; Jiang, Huanfeng; Zeng, Wei","Cu(OAc)2-Promoted Cascade Carboamination/Oxidative Cyclization of C-Acylimines with Alkenes.","The Journal of organic chemistry","2014","79","2","769","776","10.1021/jo402705w","","","0.71073","MoKα","","0.0906","0.0551","","","0.1707","0.2369","","","","","","1.114","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028983","5.84","0.0001","9.7694","0.0001","17.7381","0.0002","90","","90.395","0.001","90","","1011.99","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Liu, Jia; He, Xiu-Feng; Wang, Gai-Hong; Merino, Emilio F.; Yang, Sheng-Ping; Zhu, Rong-Xiu; Gan, Li-She; Zhang, Hua; Cassera, Maria B.; Wang, He-Yao; Kingston, David G. I.; Yue, Jian-Min","Aphadilactones A-D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant.","The Journal of organic chemistry","2014","79","2","599","607","10.1021/jo402340h","","","1.54178","CuKα","","0.0438","0.0434","","","0.1291","0.1303","","","","","","1.032","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028984","16.1459","0.0011","11.8659","0.0008","18.6686","0.0012","90","","108.086","0.001","90","","3399.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 N2 O2 -","- C46 H34 N2 O2 -","- C184 H136 N8 O8 -","4","1","","Xie, Ye-Xiang; Tang, Ri-Yuan; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng","Synthesis of Benzocyclohepta[b]indoles by Lewis Acid Catalyzed Annulation of Two 3-(1H-Isochromen-1-yl)-1H-indoles.","The Journal of organic chemistry","2014","79","2","686","691","10.1021/jo4024667","","","0.71073","MoKα","","0.0639","0.0432","","","0.1042","0.1124","","","","","","0.925","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028985","14.802","0.006","5.944","0.003","17.408","0.007","90","","97.367","0.011","90","","1519","1.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0424","","","","0.1358","","","","","","1.082","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028986","5.8546","0.0015","12.369","0.003","25.48","0.006","90","","90","","90","","1845.1","0.8","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 S -","- C19 H18 Br N O3 S -","- C76 H72 Br4 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.0411","","","","0.0829","","","","","","0.992","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028987","35.284","0.016","11.135","0.005","7.735","0.003","90","","90","","90","","3039","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C144 H104 F24 O16 -","8","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0843","","","","0.2637","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028988","12.737","0.005","16.582","0.005","11.105","0.004","90","","114.931","0.007","90","","2126.9","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.0587","","","","0.1679","","","","","","0.923","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028989","21.215","0.007","5.6844","0.0012","17.143","0.006","90","","100.435","0.007","90","","2033.2","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.1266","","","","0.3672","","","","","","1.068","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028990","9.9059","0.0013","13.8595","0.0018","16.783","0.003","90","","90","","90","","2304.2","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 S -","- C23 H22 Br N O4 S -","- C92 H88 Br4 N4 O16 S4 -","4","1","","Smith, Siobhan R.; Douglas, James; Prevet, Hugues; Shapland, Peter; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-Catalyzed Asymmetric Synthesis of β-Lactams and β-Amino Esters from Arylacetic Acid Derivatives and N-Sulfonylaldimines.","The Journal of organic chemistry","2014","79","4","1626","1639","10.1021/jo402590m","","","0.71075","MoKα","","","0.0417","","","","0.0718","","","","","","0.973","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028991","6.0161","0.0004","14.424","0.002","21.643","0.003","90","","90","","90","","1878.1","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Eske, Angelika; Goldfuss, Bernd; Griesbeck, Axel G.; de Kiff, Alan; Kleczka, Margarethe; Leven, Matthias; Neudörfl, Jörg-M; Vollmer, Moritz","Ene-diene transmissive cycloaddition reactions with singlet oxygen: the vinylogous gem effect and its use for polyoxyfunctionalization of dienes.","The Journal of organic chemistry","2014","79","4","1818","1829","10.1021/jo5000434","","","0.71073","MoKα","","0.0915","0.0399","","","0.0691","0.0785","","","","","","1.008","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028992","9.4717","0.0003","26.886","0.0005","10.7925","0.0002","90","","103.667","0.0019","90","","2670.56","0.11","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H20 F6 N2 O3 -","- C32 H20 F6 N2 O3 -","- C128 H80 F24 N8 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0665","0.0559","","","0.1399","0.1486","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028993","9.1358","0.0002","9.3779","0.0002","16.4931","0.0004","84.1242","0.0013","83.5138","0.001","84.6915","0.0014","1391.93","0.05","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 F6 N2 O4 -","- C32 H27 F6 N2 O4 -","- C64 H54 F12 N4 O8 -","2","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0698","0.0618","","","0.1512","0.1585","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028994","9.6008","0.0001","12.0613","0.0002","22.8444","0.0003","90","","90","","90","","2645.34","0.06","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N3 O3 -","- C32 H33 N3 O3 -","- C128 H132 N12 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0295","0.0274","","","0.0651","0.0665","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028995","10.4509","0.0002","12.8373","0.0002","14.3242","0.0003","90","","95.178","0.001","90","","1913.91","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 B O2 S -","- C20 H23 B O2 S -","- C80 H92 B4 O8 S4 -","4","1","","Zhu, Gangguo; Kong, Wei; Feng, Hui; Qian, Zhaosheng","Synthesis of (Z)-1-Thio- and (Z)-2-Thio-1-alkenyl Boronates via Copper-Catalyzed Regiodivergent Hydroboration of Thioacetylenes: An Experimental and Theoretical Study.","The Journal of organic chemistry","2014","79","4","1786","1795","10.1021/jo4028402","","","0.71073","MoKα","","","0.0595","","","0.1613","0.175","","","","","","1.039","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028996","17.3504","0.0016","6.1246","0.0007","17.8836","0.0017","90","","117.107","0.006","90","","1691.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B O2 S -","- C16 H23 B O2 S -","- C64 H92 B4 O8 S4 -","4","1","","Zhu, Gangguo; Kong, Wei; Feng, Hui; Qian, Zhaosheng","Synthesis of (Z)-1-Thio- and (Z)-2-Thio-1-alkenyl Boronates via Copper-Catalyzed Regiodivergent Hydroboration of Thioacetylenes: An Experimental and Theoretical Study.","The Journal of organic chemistry","2014","79","4","1786","1795","10.1021/jo4028402","","","0.71073","MoKα","","0.0962","0.0498","","","0.1464","0.1828","","","","","","1.013","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028997","5.6997","0.0006","26.578","0.002","23.461","0.002","90","","93.845","0.008","90","","3546","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N10 O7 -","- C34 H40 N10 O7 -","- C136 H160 N40 O28 -","4","1","","Spanier, Lukas; Ciglia, Emanuele; Hansen, Finn K.; Kuna, Krystina; Frank, Walter; Gohlke, Holger; Kurz, Thomas","Design, Synthesis, and Conformational Analysis of Trispyrimidonamides as α-Helix Mimetics.","The Journal of organic chemistry","2014","79","4","1582","1593","10.1021/jo402353z","","","0.71073","MoKα","","0.2415","0.1627","","","0.3242","0.3654","","","","","","1.307","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028998","10.2041","0.0014","9.0692","0.0012","10.6334","0.0015","90","","118.081","0.003","90","","868.2","0.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H29 N O S -","- C16 H29 N O S -","- C32 H58 N2 O2 S2 -","2","1","","Bosque, Irene; Bagdatli, Emine; Foubelo, Francisco; Gonzalez-Gomez, Jose C","Regio- and stereoselective aminopentadienylation of carbonyl compounds.","The Journal of organic chemistry","2014","79","4","1796","1804","10.1021/jo402854z","","","0.71073","MoKα","","0.0618","0.0454","","","0.0922","0.0995","","","","","","1.004","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028999","34.53","0.005","15.623","0.002","9.9225","0.0014","90","","93.24","0.002","90","","5344.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62.83 H45.66 Cl1.66 N2 O2 -","- C62.83 H45.66 Cl1.66 N2 O2 -","- C251.32 H182.64 Cl6.64 N8 O8 -","4","1","","Commins, Patrick; Garcia-Garibay, Miguel A","Photochromic molecular gyroscope with solid state rotational States determined by an azobenzene bridge.","The Journal of organic chemistry","2014","79","4","1611","1619","10.1021/jo402516n","","","0.71073","MoKα","","0.1008","0.0633","","","0.1732","0.1919","","","","","","1.065","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4029000","10.9892","0.0015","18.447","0.002","10.4836","0.0015","90","","94.773","0.004","90","","2117.8","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 O P -","- C28 H23 O P -","- C112 H92 O4 P4 -","4","1","","Li, Da-Peng; Pan, Xiang-Qiang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Manganese(III)-Mediated Selective Diphenylphosphinoyl Radical Reaction of 1,4-Diaryl-1-butynes for the Synthesis of 2-Phosphinoylated 3,4-Dihydronaphathalenes.","The Journal of organic chemistry","2014","79","4","1850","1855","10.1021/jo402556a","","","0.71075","MoKα","","0.0684","0.0517","","","0.131","0.142","","","","","","1.106","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029001","10.9371","0.0019","18.062","0.003","10.629","0.0018","90","","93.849","0.004","90","","2095","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 O2 P -","- C27 H21 O2 P -","- C108 H84 O8 P4 -","4","1","","Li, Da-Peng; Pan, Xiang-Qiang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Manganese(III)-Mediated Selective Diphenylphosphinoyl Radical Reaction of 1,4-Diaryl-1-butynes for the Synthesis of 2-Phosphinoylated 3,4-Dihydronaphathalenes.","The Journal of organic chemistry","2014","79","4","1850","1855","10.1021/jo402556a","","","0.7107","MoKα","","0.0798","0.0637","","","0.1224","0.1301","","","","","","1.063","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029002","9.1444","0.0006","10.7731","0.0006","10.2668","0.0006","90","","115.759","0.003","90","","910.91","0.1","200","2","200","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H18 I N3 O2 -","- C18 H18 I N3 O2 -","- C36 H36 I2 N6 O4 -","2","1","","Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes.","The Journal of organic chemistry","2014","79","4","1842","1849","10.1021/jo4025368","","","0.71073","MoKα","","0.0388","0.0336","","","0.0718","0.0742","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029003","12.3676","0.0017","10.7025","0.0016","16.056","0.003","90","","99.159","0.007","90","","2098.1","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes.","The Journal of organic chemistry","2014","79","4","1842","1849","10.1021/jo4025368","","","0.71073","MoKα","","0.1401","0.0698","","","0.1503","0.1783","","","","","","1.06","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029004","12.027","0.001","6.5477","0.0005","16.2446","0.0013","90","","106.17","0.004","90","","1228.64","0.17","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H34 N2 O3 S2 Sn -","- C20 H34 N2 O3 S2 Sn -","- C40 H68 N4 O6 S4 Sn2 -","2","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0634","0.0376","","","0.0643","0.0703","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029005","11.7403","0.0004","12.2518","0.0004","14.731","0.0005","90","","90","","90","","2118.9","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Br N2 O3 S2 -","- C17 H25 Br N2 O3 S2 -","- C68 H100 Br4 N8 O12 S8 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0639","0.0346","","","0.0739","0.083","","","","","","1.01","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029006","6.6611","0.0011","15.257","0.002","26.691","0.004","90","","90","","90","","2712.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H38 N2 O4 S2 Sn -","- C21 H36 N2 O4 S2 Sn -","- C84 H144 N8 O16 S8 Sn4 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.3073","0.0731","","","0.1209","0.1757","","","","","","0.897","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029007","43.61","0.008","6.0586","0.0011","33.754","0.006","90","","128.889","0.002","90","","6942","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 N12 O4 -","- C34 H30 Cl2 N12 O4 -","- C272 H240 Cl16 N96 O32 -","8","1","","Xie, Ming-Sheng; Chu, Zhi-Liang; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming","A Copper-Catalyzed Domino Route toward Purine-Fused Tricyclic Derivatives.","The Journal of organic chemistry","2014","79","3","1093","","10.1021/jo4025489","","","0.71073","MoKα","","0.1337","0.0557","","","0.1253","0.1604","","","","","","1.009","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029008","5.0136","0.0008","5.3946","0.0006","9.3077","0.0013","84.817","0.01","82.484","0.012","80.657","0.011","245.65","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(2S,6S)-2,6-Dichloroheptane-1,7-diol","","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","1","1","","Swatschek, Jörg; Grothues, Lydia; Bauer, Jonathan O.; Strohmann, Carsten; Christmann, Mathias","A Formal, One-Pot β-Chlorination of Primary Alcohols and Its Utilization in the Transformation of Terpene Feedstock and the Synthesis of a C2-Symmetrical Terminal Bis-Epoxide.","The Journal of organic chemistry","2014","79","3","976","","10.1021/jo402422b","","","0.71073","MoKα","","0.0201","0.0198","","","0.053","0.0533","","","","","","1","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029009","5.6469","0.0008","9.0685","0.0012","14.814","0.002","104.534","0.011","98.37","0.012","93.921","0.012","722.14","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C34 H34 N6 -","2","1","","Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad R.; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Amiri Rudbari, Hadi","Copper Immobilized on Nanosilica Triazine Dendrimer (Cu(II)-TD@nSiO2)-Catalyzed Regioselective Synthesis of 1,4-Disubstituted 1,2,3-Triazoles and Bis- and Tris-Triazoles via a One-Pot Multicomponent Click Reaction.","The Journal of organic chemistry","2014","79","3","1437","","10.1021/jo402170n","","","0.71073","MoKα","","0.1116","0.0783","","","0.1917","0.2092","","","","","","1.095","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029010","9.8869","0.0005","9.9389","0.0006","16.1785","0.0009","90","","90","","90","","1589.78","0.15","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N O3 P -","- C17 H20 N O3 P -","- C68 H80 N4 O12 P4 -","4","1","","Qu, Bo; Samankumara, Lalith P.; Savoie, Jolaine; Fandrick, Daniel R.; Haddad, Nizar; Wei, Xudong; Ma, Shengli; Lee, Heewon; Rodriguez, Sonia; Busacca, Carl A.; Yee, Nathan K.; Song, Jinhua J.; Senanayake, Chris H.","Synthesis of Pyridyl-dihydrobenzooxaphosphole Ligands and Their Application in Asymmetric Hydrogenation of Unfunctionalized Alkenes.","The Journal of organic chemistry","2014","79","3","993","","10.1021/jo4024864","","","1.54178","CuKα","","0.0263","0.0261","","","","0.0689","","","","","","1.0439","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029011","7.998","0.0004","19.3464","0.0008","13.199","0.0007","90","","110.087","0.001","90","","1918.08","0.16","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Yao, Bangben; Shen, Chuang; Liang, Zunjun; Zhang, Yuhong","Copper-Catalyzed Reaction of Ketenimine and in Situ Generated Immonium Ion: Access to α,β-Unsaturated Amidines.","The Journal of organic chemistry","2014","79","3","936","","10.1021/jo402368x","","","0.71073","MoKα","","0.104","0.0474","","","0.1087","0.156","","","","","","1","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029012","7.7286","0.0003","19.906","0.001","13.2464","0.0007","90","","102.301","0.004","90","","1991.11","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N2 O3 S -","- C20 H23 N2 O3 S -","- C80 H92 N8 O12 S4 -","4","1","","Yao, Bangben; Shen, Chuang; Liang, Zunjun; Zhang, Yuhong","Copper-Catalyzed Reaction of Ketenimine and in Situ Generated Immonium Ion: Access to α,β-Unsaturated Amidines.","The Journal of organic chemistry","2014","79","3","936","","10.1021/jo402368x","","","0.71073","MoKα","","0.1432","0.0486","","","0.1144","0.1319","","","","","","0.804","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029013","12.5682","0.0004","7.3873","0.0002","11.2454","0.0004","90","","98.128","0.001","90","","1033.59","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10-NA","4-Benzenesulfonyl-2-formylpyrrole","","- C11 H9 N O3 S -","- C11 H9 N O3 S -","- C44 H36 N4 O12 S4 -","4","1","","Chen, Chih-Yuan; Bocian, David F.; Lindsey, Jonathan S.","Synthesis of 24 Bacteriochlorin Isotopologues, Each Containing a Symmetrical Pair of (13)C or (15)N Atoms in the Inner Core of the Macrocycle.","The Journal of organic chemistry","2014","79","3","1001","","10.1021/jo402488n","","","0.71073","MoKα","","0.0359","0.0322","","","0.0883","0.0914","","","","","","1.079","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029014","7.107","0.002","7.758","0.002","10.62","0.003","75.924","0.005","79.636","0.006","71.112","0.006","534.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0823","0.069","","","0.1963","0.2092","","","","","","1.08","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029015","10.7714","0.0011","7.8126","0.0008","11.5206","0.0012","90","","106.574","0.002","90","","929.21","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C44 H32 N4 O8 -","2","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0387","0.0346","","","0.0943","0.0977","","","","","","1.067","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029016","8.1738","0.0011","21.296","0.003","8.4023","0.0011","90","","109.477","0.003","90","","1378.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O S -","- C15 H11 N3 O S -","- C60 H44 N12 O4 S4 -","4","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0635","0.0573","","","0.1382","0.1445","","","","","","1.068","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029017","8.9155","0.0005","19.5706","0.001","9.5106","0.0005","90","","115.773","0.002","90","","1494.35","0.14","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Li N O2 -","- C15 H24 Li N O2 -","- C60 H96 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0804","0.0592","","","0.145","0.1586","","","","","","1.016","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029018","10.1089","0.0007","10.1193","0.0007","10.1523","0.0007","63.117","0.003","66.551","0.003","63.364","0.003","802.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ccs25jul12","","","- C16 H26 Li N O2 -","- C16 H26 Li N O2 -","- C32 H52 Li2 N2 O4 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0825","0.0642","","","0.1571","0.1686","","","","","","1.168","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029019","18.5362","0.0016","14.7209","0.0012","11.5776","0.001","90","","96.352","0.006","90","","3139.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs17aug12","","","- C32 H48 Li2 N2 O4 -","- C32 H48 Li2 N2 O4 -","- C128 H192 Li8 N8 O16 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0665","0.0566","","","0.1629","0.1733","","","","","","1.086","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029020","9.7929","0.0009","11.8274","0.001","15.003","0.0013","90","","104.686","0.004","90","","1680.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ccs20nov12","","","- C17 H26 Li N O2 -","- C17 H26 Li N O2 -","- C68 H104 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0776","0.0701","","","0.2134","0.229","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029021","9.9429","0.0013","9.5568","0.0013","18.306","0.003","90","","97.905","0.004","90","","1722.9","0.4","208","2","208","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","ccs23jul12","","","- C17 H28 Li N O2 -","- C17 H28 Li N O2 -","- C68 H112 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0338","0.0291","","","0.0734","0.0772","","","","","","1.011","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029022","9.889","0.0013","10.3072","0.0015","17.281","0.002","90","","102.308","0.004","90","","1720.9","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs04jul12","","","- C17 H28 Li N O2 -","- C17 H28 Li N O2 -","- C68 H112 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1173","0.1071","","","0.2841","0.2963","","","","","","1.054","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029023","10.9483","0.0011","16.07","0.0014","13.5591","0.0012","90","","108.446","0.003","90","","2263","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs06sept12","","","- C21 H38 Li N3 O2 -","- C21 H38 Li N3 O2 -","- C84 H152 Li4 N12 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1015","0.0927","","","0.2349","0.2462","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029024","8.1783","0.0008","8.8499","0.0008","9.4271","0.0009","79.55","0.006","68.433","0.006","75.674","0.006","611.7","0.1","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 Li N O2 -","- C11 H18 Li N O2 -","- C22 H36 Li2 N2 O4 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1303","0.1005","","","0.2736","0.2913","","","","","","1.84","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029025","12.028","0.002","11.5363","0.0019","18.827","0.003","90","","95.417","0.005","90","","2600.7","0.7","208","2","208","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Li N O2 -","- C12 H20 Li N O2 -","- C96 H160 Li8 N8 O16 -","8","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0359","0.031","","","0.1184","0.1246","","","","","","1.125","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029026","9.3268","0.0014","9.5932","0.0016","14.897","0.002","90","","97.819","0.005","90","","1320.5","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ccs09jul12","","","- C13 H20 Li N O -","- C13 H20 Li N O -","- C52 H80 Li4 N4 O4 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1501","0.1051","","","0.2539","0.2883","","","","","","1.065","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029027","13.486","0.002","17.232","0.002","19.781","0.004","90","","97.401","0.006","90","","4558.6","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs31jul12","","","- C24 H34 Li N O3 -","- C24 H34 Li N O3 -","- C192 H272 Li8 N8 O24 -","8","2","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1099","0.0641","","","0.1429","0.1617","","","","","","1.045","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029028","8.056","0.003","14.504","0.005","9.639","0.004","90","","102.066","0.006","90","","1101.4","0.7","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","jg05oct12","","","- C21 H36 Li N O3 -","- C21 H36 Li N O3 -","- C42 H72 Li2 N2 O6 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0781","0.0726","","","0.1927","0.2017","","","","","","1.005","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029029","12.898","0.004","14.874","0.006","17.747","0.005","90","","103.175","0.012","90","","3315.1","1.9","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H52 Li2 N2 O3 -","- C32 H52 Li2 N2 O3 -","- C128 H208 Li8 N8 O12 -","4","2","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1037","0.083","","","0.2067","0.2254","","","","","","1.056","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4029030","8.493","0.003","9.954","0.004","10.417","0.003","101.459","0.015","109.73","0.015","104.83","0.016","761","0.5","198","2","198","2","","","","","","","","5","P -1","-P 1","2","ccs06jun13","","","- C15 H24 Li N O -","- C15 H24 Li N O -","- C30 H48 Li2 N2 O2 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0613","0.0486","","","0.1325","0.1412","","","","","","1.047","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029031","8.5026","0.0004","18.063","0.0008","18.5086","0.0011","90","","90","","90","","2842.6","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl3 N O -","- C13 H12 Cl3 N O -","- C104 H96 Cl24 N8 O8 -","8","1","","Xie, Yuanzhen; Yu, Kai; Gu, Zhenhua","Stereoselective Synthesis of 1,3-Amino Alcohols by the Pd-Catalyzed Cyclization of Trichloroacetimidates.","The Journal of organic chemistry","2014","79","3","1289","","10.1021/jo402681z","","","0.71073","MoKα","","0.0509","0.0385","","","0.0881","0.0948","","","","","","1.017","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029032","14.549","0.003","5.7568","0.0012","14.436","0.003","90","","91.193","0.006","90","","1208.8","0.4","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H12 N3 O2 S -","- C14 H13.5 O2 S -","- C56 H54 O8 S4 -","4","1","","Kamimura, Akio; Nokubi, Tomomi; Watanabe, Ryusuke; Ishikawa, Mari; Nasu, Kotaro; Uno, Hidemitsu; Sumimoto, Michinori","4,4'-Diarylsulfanyl-2,2',5,5'-tetraoxybiaryl Derivatives as a Water-Soluble Fluorescent Dye.","The Journal of organic chemistry","2014","79","3","1068","","10.1021/jo402522y","","","0.71075","MoKα","","","0.0548","","","","0.0561","","","","","","5.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029033","19.0519","0.0004","16.3804","0.0003","15.9393","0.0003","90","","92.979","0.001","90","","4967.58","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H65 N4 O8.5 -","- C61 H65 N4 O8.5 -","- C244 H260 N16 O34 -","4","1","","Collins, Carleton G.; Lee, Joshua M.; Oliver, Allen G.; Wiest, Olaf; Smith, Bradley D.","Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision.","The Journal of organic chemistry","2014","79","3","1120","","10.1021/jo402564k","","","1.54184","CuKα","","0.075","0.0584","","","0.1571","0.1708","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029034","14.501","0.0009","6.6118","0.0003","28.1947","0.0013","90","","102.553","0.006","90","","2638.6","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H15 Cl N O2 -","- C14.5 H15 Cl N O2 -","- C116 H120 Cl8 N8 O16 -","8","1","","Collins, Carleton G.; Lee, Joshua M.; Oliver, Allen G.; Wiest, Olaf; Smith, Bradley D.","Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision.","The Journal of organic chemistry","2014","79","3","1120","","10.1021/jo402564k","","","1.54184","CuKα","","0.0637","0.0457","","","0.1145","0.1252","","","","","","1.068","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029035","10.33","0.002","11.014","0.003","20.136","0.004","90","","103.909","0.003","90","","2223.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N O4 -","- C26 H22 Cl N O4 -","- C104 H88 Cl4 N4 O16 -","4","1","","Zhang, Min; Luo, Fan; Gong, Yuefa","Stereoselective Cascade Formal Nucleophilic Substitution and Mannich Reaction of Ethyl 2-Aroyl-1-chlorocyclopropanecarboxylates.","The Journal of organic chemistry","2014","79","3","1335","","10.1021/jo402739f","","","0.71073","MoKα","","0.0633","0.0478","","","0.1379","0.1596","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029036","10.7718","0.0015","20.433","0.003","12.4019","0.0017","90","","99.058","0.003","90","","2695.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C116 H120 N8 O24 S4 -","4","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.052","0.0415","","","0.1126","0.121","","","","","","1.035","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029037","8.372","0.003","25.812","0.008","12.748","0.004","90","","98.552","0.007","90","","2724.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C116 H120 N8 O24 S4 -","4","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.0736","0.0558","","","0.1445","0.1572","","","","","","1.024","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029038","9.8415","0.0009","10.5577","0.001","14.1518","0.0013","70.033","0.002","79.613","0.002","89.068","0.002","1357.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C58 H60 N4 O12 S2 -","2","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.0531","0.0424","","","0.1169","0.1252","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029039","6.1167","0.0017","13.975","0.002","14.558","0.002","90","","90","","90","","1244.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F N2 O5 -","- C12 H15 F N2 O5 -","- C48 H60 F4 N8 O20 -","4","1","","Dugovic, Branislav; Leumann, Christian J.","A 6'-Fluoro-Substituent in Bicyclo-DNA Increases Affinity to Complementary RNA Presumably by CF-HC Pseudohydrogen Bonds.","The Journal of organic chemistry","2014","79","3","1271","","10.1021/jo402690j","","","0.71073","MoKα","","0.0827","0.0589","","","0.13","0.1418","","","","","","1.053","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029040","10.4726","0.0008","6.8537","0.0006","21.881","0.0016","90","","98.966","0.003","90","","1551.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Rajagopal, Basker; Chen, Ying-Yu; Chen, Chun-Chi; Liu, Xuan-Yu; Wang, Huei-Ren; Lin, Po-Chiao","Cu(I)-Catalyzed Synthesis of Dihydropyrimidin-4-ones toward the Preparation of β- and β(3)-Amino Acid Analogues.","The Journal of organic chemistry","2014","79","3","1254","","10.1021/jo402670d","","","0.71073","MoKα","","0.0705","0.0462","","","0.1034","0.1155","","","","","","1.026","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029041","7.8684","0.0013","13.971","0.002","8.8557","0.0016","90","","99.47","0.011","90","","960.2","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Lv, Jinglei; Zhang-Negrerie, Daisy; Deng, Jun; Du, Yunfei; Zhao, Kang","Metal-Free Synthesis of 2-Oxindoles via PhI(OAc)2-Mediated Oxidative C-C Bond Formation.","The Journal of organic chemistry","2014","79","3","1111","","10.1021/jo4025539","","","0.71073","MoKα","","0.0742","0.0563","","","0.1201","0.13","","","","","","1.118","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029042","11.448","0.0002","14.0412","0.0002","29.0912","0.0004","90","","90","","90","","4676.23","0.12","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O7 -","- C14 H20 O7 -","- C168 H240 O84 -","12","3","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","","1.5418","CuKα","","0.0496","0.048","","","0.1245","0.1261","","","","","","1.002","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029043","5.5597","0.0001","8.6192","0.0003","21.5904","0.0006","90","","90","","90","","1034.62","0.05","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","x-ray","1.5418","CuKα","","0.0329","0.0323","","","0.0822","0.0827","","","","","","1.004","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029044","13.621","0.0013","7.4887","0.0007","13.6778","0.0014","90","","104.871","0.002","90","","1348.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","","Paladhi, Sushovan; Bhati, Meeta; Panda, Deepanjan; Dash, Jyotirmayee","Thiazolidinedione-Isatin Conjugates via an Uncatalyzed Diastereoselective Aldol Reaction on Water.","The Journal of organic chemistry","2014","79","3","1473","","10.1021/jo402515d","","","0.71073","MoKα","","0.0492","0.0363","","","0.1033","0.118","","","","","","1.03","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029045","13.3514","0.0009","7.3471","0.0005","14.3492","0.0009","90","","103.439","0.002","90","","1369.03","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Paladhi, Sushovan; Bhati, Meeta; Panda, Deepanjan; Dash, Jyotirmayee","Thiazolidinedione-Isatin Conjugates via an Uncatalyzed Diastereoselective Aldol Reaction on Water.","The Journal of organic chemistry","2014","79","3","1473","","10.1021/jo402515d","","","0.71073","MoKα","","0.0329","0.0287","","","0.0721","0.0755","","","","","","1.046","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029046","14.655","0.0003","13.5527","0.0003","7.9644","0.0002","90","","100.376","0.001","90","","1555.98","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-5-phenyl-12-oxa-1-azatetracyclo [11.3.0.0^2,7^.0^9,13^]hexadeca-2,4,6,10-tetraen-16-one","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0412","0.0379","","","0.105","0.1094","","","","","","0.891","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029047","8.4988","0.0006","9.4755","0.0007","21.698","0.0015","90","","92.317","0.004","90","","1745.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11-Hydroxy-16-(pyridine-3-yl)-7-oxa-2-azapentacyclo [9.7.1.0^2,6^.0^6,10^.0^15,19^] nonadeca-1(19),8,15(16),17-tetraen-3-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.076","0.0646","","","0.2012","0.2172","","","","","","0.907","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029048","12.7615","0.0005","11.2442","0.0005","13.0344","0.0005","90","","102.229","0.002","90","","1827.9","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Hydroxy-15-(pyridine-3-yl)-9-oxa-2-azapentacyclo [8.7.1.1^6,9^.0^2,6^.0^14,18^]nonadeca- 1(18),7,14(15),16(17)tetraen-3-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0465","0.0441","","","0.1428","0.1465","","","","","","0.747","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029049","13.2746","0.0004","13.6899","0.0004","7.9482","0.0002","90","","95.563","0.001","90","","1437.61","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Furan-2-yl)-8-hydroxy-12-oxa-1-azatetracyclo [11.3.0.02,7.09,13]hexadeca-2,4,6,10-tetraen-12-one","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0419","0.0405","","","0.1076","0.1102","","","","","","0.876","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029050","7.6925","0.0009","13.0724","0.0016","14.116","0.0017","90.117","0.005","90.02","0.005","92.618","0.005","1418","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-(furan-2-yl)-2-hydroxy-16-oxa-9-azatetracyclo [11.2.1.0^3,8^.0^5,9^]hexadeca-3,5,7,14-tetraen-10-one","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","2","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0379","0.0355","","","0.1","0.1037","","","","","","0.859","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029051","14.5159","0.0003","7.8114","0.0002","14.8797","0.0003","90","","112.35","0.001","90","","1560.46","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-6-(pyridin-3-yl)-12-oxa-1-azatetracyclo [11.3.0.0^2,7^.0^9,13^] hexadeca-2,4,6,10-tetraen-16-one","","- C19 H17 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.042","0.0396","","","0.0897","0.0916","","","","","","1.109","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029052","13.0933","0.0014","10.9512","0.0011","14.9276","0.0015","90","","107.682","0.002","90","","2039.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Siyang, Hai Xiao; Wu, Xu Rui; Liu, Hui Ling; Wu, Xin Yan; Liu, Pei Nian","A Tandem Reaction of Benzyne with Functionalized Benzylidenephthalan To Afford Phenanthro[10,1-bc]furan.","The Journal of organic chemistry","2014","79","3","1505","","10.1021/jo402701q","","","0.71073","MoKα","","0.0749","0.0534","","","0.1339","0.1461","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029053","10.0966","0.0009","10.7209","0.0009","13.1753","0.0011","94.573","0.002","94.171","0.002","109.28","0.002","1334.4","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.1186","0.0714","","","0.1774","0.2063","","","","","","1.026","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029054","9.6731","0.0011","12.2468","0.0014","13.2905","0.0014","106.215","0.002","91.906","0.002","104.067","0.002","1457.8","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 O4 Si -","- C28 H40 B2 O4 Si -","- C56 H80 B4 O8 Si2 -","2","1","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.2351","0.1058","","","0.1969","0.2558","","","","","","1.06","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029055","10.299","0.004","12.07","0.006","19.582","0.006","89.885","0.015","86.412","0.013","78.391","0.017","2379.6","1.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O -","- C29 H20 F3 N O -","- C116 H80 F12 N4 O4 -","4","2","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.1988","0.0759","","","0.1889","0.246","","","","","","0.938","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029056","9.39","0.005","27.085","0.013","9.422","0.005","90","","99.646","0.009","90","","2362","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H52 N4 O4 -","- C57 H52 N4 O4 -","- C114 H104 N8 O8 -","2","0.5","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","0.71073","MoKα","","0.0656","0.0579","","","0.1358","0.14","","","","","","1.186","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029057","18.837","0.002","5.7769","0.0006","19.372","0.002","90","","101.358","0.008","90","","2066.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H60 N4 O4 -","- C50 H60 N4 O4 -","- C100 H120 N8 O8 -","2","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0898","0.0537","","","0.1054","0.1203","","","","","","1.024","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029058","7.7338","0.0002","26.7364","0.0007","18.136","0.0005","90","","102.266","0.001","90","","3664.45","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N4 O6 -","- C44 H48 N4 O6 -","- C176 H192 N16 O24 -","4","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0398","0.0379","","","0.0959","0.0974","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029059","10.8868","0.0004","11.9949","0.0005","16.3976","0.0006","81.721","0.002","74.868","0.002","72.391","0.002","1965.27","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.45 H44.9 Cl0.9 N4 O4 -","- C50.4482 H44.8964 Cl0.8964 N4 O4 -","- C100.896 H89.7928 Cl1.7928 N8 O8 -","2","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0407","0.0351","","","0.0873","0.0914","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029060","31.296","0.005","31.296","0.005","18.216","0.003","90","","90","","90","","17841","5","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 N3 O9.44 S Si -","- C32 H40 N3 O9.324 S Si -","- C512 H640 N48 O149.184 S16 Si16 -","16","1","","Feng, Yiqing; Majireck, Max M.; Weinreb, Steven M.","Total syntheses of the monoterpene indole alkaloids (±)-alstilobanine A and E and (±)-angustilodine.","The Journal of organic chemistry","2014","79","1","7","24","10.1021/jo402495q","","","0.71073","MoKα","","0.2274","0.1145","","","0.3291","0.3987","","","","","","1.018","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029061","6.1138","0.0014","11.409","0.003","11.578","0.003","90","","95.228","0.003","90","","804.2","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Pan, Xuejing; Huang, Guobao; Long, Yuhua; Zuo, Xiongjun; Xu, Xuan; Gu, Fenglong; Yang, Dingqiao","Platinum(II)-catalyzed asymmetric ring-opening addition of arylboronic acids to oxabenzonorbornadienes.","The Journal of organic chemistry","2014","79","1","187","196","10.1021/jo402386k","","","0.71073","MoKα","","0.049","0.0372","","","0.0921","0.0995","","","","","","1.047","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029062","5.9699","0.0003","8.9969","0.0006","28.9795","0.0015","90","","95.309","0.006","90","","1549.83","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl O2 -","- C19 H15 Cl O2 -","- C76 H60 Cl4 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.71073","MoKα","","0.0721","0.0506","","","0.1184","0.1376","","","","","","1.049","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029063","14.712","0.003","5.8398","0.0014","20.996","0.006","90","","105.27","0.03","90","","1740.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.7107","MoKα","","0.1882","0.0755","","","0.1398","0.1987","","","","","","0.964","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029064","5.5429","0.0006","8.4278","0.0009","34.013","0.003","90","","90","","90","","1588.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.71073","MoKα","","0.1001","0.0664","","","0.1412","0.1653","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029065","11.2513","0.0011","16.593","0.002","8.0237","0.0009","90","","90","","90","","1498","0.3","292.36","0.1","292.36","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.7107","MoKα","","0.1351","0.0699","","","0.1173","0.1565","","","","","","1.07","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029066","4.345","0.005","12.641","0.005","29.745","0.005","90","0.005","90","0.005","90","0.005","1634","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1H-Benzo[d][1,2,3]triazol-1-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanethione","","- C17 H16 F N5 S -","- C17 H16 F N5 S -","- C68 H64 F4 N20 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0691","0.0467","","","0.1027","0.1205","","","","","","0.851","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029067","6.0723","0.0009","37.105","0.003","8.4532","0.0011","90","","110.984","0.017","90","","1778.3","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-2-(4-Cinnamylpiperazin-1-yl)benzo[d]thiazole","","- C20 H21 N3 S -","- C20 H21 N3 S -","- C80 H84 N12 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0958","0.0515","","","0.072","0.0871","","","","","","0.992","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029068","28.665","0.005","6.157","0.005","18.403","0.005","90","0.005","103.129","0.005","90","0.005","3163","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(2-Chlorophenyl)piperazin-1-yl)benzo[d]thiazole","","- C17 H16 Cl N3 S -","- C17 H16 Cl N3 S -","- C136 H128 Cl8 N24 S8 -","8","2","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0896","0.0546","","","0.115","0.1328","","","","","","1.038","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029069","5.8893","0.0003","8.5161","0.0005","28.35","0.002","90","","90","","90","","1421.86","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(Pyridin-2-yl)piperazin-1-yl)benzo[d]thiazole","","- C16 H16 N4 S -","- C16 H16 N4 S -","- C64 H64 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.065","0.0455","","","0.0811","0.0904","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029070","4.75","0.005","13.031","0.005","18.356","0.005","90","0.005","90","0.005","90","0.005","1136.2","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1H-benzo[d][1,2,3]triazol-1-yl)benzo[d]thiazole","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.064","0.048","","","0.092","0.1011","","","","","","1.044","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029071","9.95","0.005","10.624","0.005","11.817","0.005","97.862","0.005","110.67","0.005","92.447","0.005","1152.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(Ferrocenylmethyl)-N-phenethyl-1H-benzo[d][1,2,3]triazole-1-carbothioamide","","- C26 H24 Fe N4 S -","- C26 H24 Fe N4 S -","- C52 H48 Fe2 N8 S2 -","2","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.1012","0.0544","","","0.091","0.1106","","","","","","0.997","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029072","5.794","0.005","18.784","0.005","19.784","0.005","88.613","0.005","86.767","0.005","88.134","0.005","2148","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(Ferrocenylmethyl)-N-phenethylbenzo[d]thiazol-2-amine","","- C26 H24 Fe N2 S -","- C26 H24 Fe N2 S -","- C104 H96 Fe4 N8 S4 -","4","2","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.1382","0.0809","","","0.1627","0.1926","","","","","","1.061","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029073","12.8513","0.0006","15.8223","0.0008","10.9565","0.0006","90","","96.729","0.005","90","","2212.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzyl-1-(ferrocenylmethyl)thiourea","","- C26 H26 Fe N2 S -","- C26 H26 Fe N2 S -","- C104 H104 Fe4 N8 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0925","0.0493","","","0.09","0.1105","","","","","","1.03","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029074","16.821","0.003","27.947","0.006","36.187","0.007","90","","90","","90","","17011","6","173","2","173","2","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C44 H50 N4 -","- C44 H50 N4 -","- C704 H800 N64 -","16","1","","Hao, Qingshan; Yu, Shuai; Li, Shayu; Chen, Jinping; Zeng, Yi; Yu, Tianjun; Yang, Guoqiang; Li, Yi","Locked planarity: a strategy for tailoring ladder-type π-conjugated anilido-pyridine boron difluorides.","The Journal of organic chemistry","2014","79","1","459","464","10.1021/jo402583y","","","0.71073","MoKα","","0.1054","0.0855","","","0.2139","0.2349","","","","","","1.038","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029075","13.4267","0.0002","17.8534","0.0003","20.7231","0.0003","90","","90","","90","","4967.58","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0552","0.0526","","","0.1587","0.1627","","","","","","1.029","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029076","7.5758","0.0002","9.3709","0.0003","12.8849","0.0004","92.136","0.001","97.274","0.002","97.046","0.001","899.22","0.05","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C38 H48 N4 O8 -","2","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0469","0.0407","","","0.1204","0.131","","","","","","1.05","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029077","7.1435","0.0008","15.1987","0.0018","8.8775","0.0011","90","","102.451","0.002","90","","941.18","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0432","0.0393","","","0.0962","0.0992","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029078","10.0279","0.001","10.062","0.0009","21.191","0.002","90","","90","","90","","2138.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C88 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0605","0.0409","","","0.0912","0.0999","","","","","","1.016","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029079","9.9069","0.0009","10.5077","0.0009","20.4388","0.0019","90","","90","","90","","2127.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0743","0.0459","","","0.0912","0.1018","","","","","","1.011","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029080","8.3052","0.001","14.2683","0.0018","17.062","0.002","90","","100.866","0.002","90","","1985.6","0.4","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C88 H88 O32 -","4","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1398","0.0553","","","0.0973","0.119","","","","","","1.056","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029081","11.72","0.0014","11.9056","0.0015","16.424","0.002","87.568","0.002","75.432","0.002","71.159","0.002","2097.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 Br2 O16 -","- C44 H44 Br2 O16 -","- C88 H88 Br4 O32 -","2","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.2108","0.0913","","","0.2081","0.2398","","","","","","1.229","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029082","19.827","0.004","18.867","0.004","12.772","0.003","90","","103.59","0.003","90","","4643.9","1.7","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 Cl2 O16 -","- C47 H54 Cl2 O16 -","- C188 H216 Cl8 O64 -","4","0.5","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1488","0.071","","","0.1769","0.2127","","","","","","1.061","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029083","16.6231","0.0014","22.3687","0.0019","12.0748","0.001","90","","117.234","0.001","90","","3992.1","0.6","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H21 Cl O7 -","- C21 H20 O7 -","- C168 H160 O56 -","8","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.099","0.0639","","","0.1769","0.193","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029084","16.123","0.004","22.373","0.005","12.678","0.003","90","","100.64","0.004","90","","4494.6","1.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 Br2 O17 -","- C45 H46 Br2 O17 -","- C180 H184 Br8 O68 -","4","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.2271","0.0722","","","0.1479","0.1964","","","","","","1","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029085","29.173","0.008","16.235","0.004","21.928","0.006","90","","92.484","0.004","90","","10376","5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Br2 Cl6 O16 -","- C46 H46 Br2 Cl6 O16 -","- C368 H368 Br16 Cl48 O128 -","8","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1477","0.0738","","","0.2007","0.2383","","","","","","1.061","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029086","21.9855","0.0004","8.06787","0.00016","13.8359","0.0003","90","","91.2493","0.0018","90","","2453.58","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 F I O3 -","- C14 H14 F I O3 -","- C112 H112 F8 I8 O24 -","8","1","","Struble, Mark D.; Strull, Jessica; Patel, Kishan; Siegler, Maxime A.; Lectka, Thomas","Modulating ""jousting"" C-F—H-C interactions with a bit of hydrogen bonding.","The Journal of organic chemistry","2014","79","1","1","6","10.1021/jo4018205","","","1.54178","CuKα","","0.0188","0.0182","","","0.0464","0.0468","","","","","","1.046","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029087","5.7172","0.0012","10.941","0.002","15.717","0.003","90","","92.598","0.003","90","","982.1","0.3","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","1","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","0.71073","MoKα","","0.0434","0.0358","","","0.0798","0.0847","","","","","","1.049","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029088","16.6637","0.0006","9.1966","0.0005","16.8975","0.0007","90","","109.839","0.003","90","","2435.84","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N3 P Se -","- C28 H30 N3 P Se -","- C112 H120 N12 P4 Se4 -","4","2","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","1.54178","CuKα","","0.0618","0.052","","","0.1265","0.1359","","","","","","1.027","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029089","9.1862","0.0003","11.9442","0.0005","14.8114","0.0005","106.527","0.002","97.798","0.002","110.162","0.002","1412.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 Cl3 N7 -","- C30 H24 Cl3 N7 -","- C60 H48 Cl6 N14 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0855","0.053","","","0.1265","0.1377","","","","","","1.294","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029090","10.9767","0.0004","11.446","0.0006","16.613","0.0008","94.177","0.002","93.6006","0.0013","106.993","0.002","1983.06","0.16","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C38 H34 Cl2 N8 -","- C38 H34 Cl2 N8 -","- C76 H68 Cl4 N16 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.2196","0.1941","","","0.4771","0.4847","","","","","","3.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029091","9.8523","0.0003","28.518","0.0011","13.247","0.0005","90","","111.422","0.002","90","","3464.9","0.2","100","","100","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N6 -","- C38 H46 N6 -","- C152 H184 N24 -","4","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0975","0.06","","","0.1525","0.18","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029092","7.461","0.002","9.4563","0.0013","22.633","0.004","77.902","0.005","87.007","0.007","74.91","0.02","1507.5","0.5","123","","123","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C36 H24 N6 O3 -","- C36 H24 N6 O3 -","- C72 H48 N12 O6 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.2452","0.1179","","","0.2447","0.3184","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029093","11.2869","0.0008","11.7092","0.0008","7.9701","0.0005","90","","95.891","0.003","90","","1047.77","0.12","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H19 N5 O -","- C25 H19 N5 O -","- C50 H38 N10 O2 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0672","0.0542","","","0.1663","0.1791","","","","","","1.34","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029094","12.9058","0.0013","7.5529","0.0007","12.7458","0.001","90","","118.198","0.003","90","","1094.96","0.18","123","","123","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C52 H44 N12 -","2","0.5","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.151","0.067","","","0.1534","0.1978","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029095","8.993","0.0008","9.8212","0.0009","15.1041","0.0014","94.013","0.005","96.665","0.004","109.521","0.004","1240.4","0.2","100","2","99.98","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H23 N7 -","- C29 H23 N7 -","- C58 H46 N14 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.1784","0.0725","","","0.1561","0.2001","","","","","","0.961","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029096","12.0184","0.0009","17.4168","0.0012","12.3712","0.0009","90","","118.678","0.003","90","","2271.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O5 -","- C24 H20 N6 O5 -","- C96 H80 N24 O20 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.063","0.0434","","","0.1041","0.1148","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029097","19.8575","0.0009","7.0316","0.0003","27.9026","0.0013","90","","90","","90","","3896","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","072-1","","","- C24 H14 N4 O4 -","- C24 H14 N4 O4 -","- C192 H112 N32 O32 -","8","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.074","0.0475","","","0.1008","0.112","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029098","6.3351","0.0004","10.3758","0.0007","22.9687","0.0017","90","","90","","90","","1509.77","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","064-1","","","- C18 H10 Br N3 O2 -","- C18 H10 Br N3 O2 -","- C72 H40 Br4 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.086","0.0464","","","0.0765","0.0859","","","","","","0.982","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029099","7.767","0.0005","10.3455","0.0007","17.8038","0.0013","90","","94.103","0.003","90","","1426.93","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.048","0.0405","","","0.1009","0.1054","","","","","","1.065","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029100","6.1413","0.0002","8.6786","0.0003","14.2186","0.0006","84.699","0.002","83.15","0.002","74.522","0.002","723.67","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","Nitro DHA 056","","","- C18 H11 N3 O2 -","- C18 H11 N3 O2 -","- C36 H22 N6 O4 -","2","2","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.0341","0.0316","","","0.0783","0.0797","","","","","","1.04","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029101","17.7097","0.0009","8.559","0.0004","13.1023","0.0006","90","","90","","90","","1986.01","0.16","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","055-fl","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.027","0.0255","","","0.0664","0.0673","","","","","","1.082","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029102","9.3037","0.0008","19.5952","0.0015","8.1866","0.0006","90","","101.163","0.003","90","","1464.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","076 EtOH","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.0506","0.0366","","","0.0818","0.0886","","","","","","1.033","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029103","9.1627","0.0004","25.9283","0.0011","13.6312","0.0006","90","","99.865","0.003","90","","3190.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 -","- C74 H92 -","- C148 H184 -","2","0.5","","Wu, Tien-Lin; Chou, Ho-Hsiu; Huang, Pei-Yun; Cheng, Chien-Hong; Liu, Rai-Shung","3,6,9,12-Tetrasubstituted chrysenes: synthesis, photophysical properties, and application as blue fluorescent OLED.","The Journal of organic chemistry","2014","79","1","267","274","10.1021/jo402429q","","","0.71073","MoKα","","0.1645","0.0862","","","0.2073","0.2511","","","","","","1.047","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029104","9.1016","0.0014","16.768","0.003","10.7755","0.0016","90","","99.52","0.002","90","","1621.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C60 H56 F12 N12 O12 -","4","1","","Li, Tian-Ren; Duan, Shu-Wen; Ding, Wei; Liu, Yi-Yin; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Synthesis of CF3-Containing 3,3'-Cyclopropyl Spirooxindoles by Sequential [3 + 2] Cycloaddition/Ring Contraction of Ylideneoxindoles with 2,2,2-Trifluorodiazoethane.","The Journal of organic chemistry","2014","79","5","2296","2302","10.1021/jo500019a","","","0.71073","MoKα","","0.047","0.0372","","","0.111","0.1222","","","","","","1.033","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029105","6.9009","0.0017","10.396","0.003","11.162","0.003","104.995","0.004","102.974","0.004","93.465","0.004","747.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C32 H32 F6 N2 O8 -","2","1","","Li, Tian-Ren; Duan, Shu-Wen; Ding, Wei; Liu, Yi-Yin; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Synthesis of CF3-Containing 3,3'-Cyclopropyl Spirooxindoles by Sequential [3 + 2] Cycloaddition/Ring Contraction of Ylideneoxindoles with 2,2,2-Trifluorodiazoethane.","The Journal of organic chemistry","2014","79","5","2296","2302","10.1021/jo500019a","","","0.71073","MoKα","","0.061","0.0505","","","0.1463","0.1797","","","","","","1.091","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029106","3.8649","0.0002","11.0897","0.0005","26.1706","0.0017","90","","90","","90","","1121.69","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Br2 Cl N2 -","- C11 H7 Br2 Cl N2 -","- C44 H28 Br8 Cl4 N8 -","4","1","","Vamos, Mitchell; Cosford, Nicholas D. P.","2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides.","The Journal of organic chemistry","2014","79","5","2274","2280","10.1021/jo402693s","","","0.71073","MoKα","","0.0196","0.0178","","","0.0399","0.0406","","","","","","1.069","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029107","20.5273","0.0016","8.8396","0.0007","12.1294","0.0008","90","","102.349","0.004","90","","2150","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C96 H72 Cl8 N16 O8 -","8","2","","Vamos, Mitchell; Cosford, Nicholas D. P.","2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides.","The Journal of organic chemistry","2014","79","5","2274","2280","10.1021/jo402693s","","","0.71073","MoKα","","0.0446","0.0321","","","0.0777","0.0847","","","","","","1.046","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029108","8.125","0.003","10.053","0.004","10.461","0.004","87.508","0.008","74.901","0.008","69.292","0.01","770.5","0.5","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O6 -","- C13 H19 N5 O6 -","- C26 H38 N10 O12 -","2","1","","Nakaike, Yumi; Nishiwaki, Nagatoshi; Ariga, Masahiro; Tobe, Yoshito","Synthesis of 4-Substituted 3,5-Dinitro-1,4-dihydropyridines by the Self-Condensation of β-Formyl-β-nitroenamine.","The Journal of organic chemistry","2014","79","5","2163","2169","10.1021/jo5000187","","","0.71075","MoKα","","0.0413","0.0374","","","0.1021","0.1052","","","","","","1.07","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029109","10.607","0.0003","12.554","0.0003","19.315","0.0007","90","","90","","90","","2571.99","0.13","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H24 O4 -","- C12 H22 O4 -","- C96 H176 O32 -","8","1","","Miquet, Stéphanie; Brémond, Paul; Ayela, Benjamin; Marque, Sylvain R. A.; Audran, Gérard","Revised structure, total synthesis, and absolute configuration of kopeolin and kopeolone.","The Journal of organic chemistry","2014","79","5","2268","2273","10.1021/jo402572b","","","0.71073","MoKα","","0.0464","0.0453","","","0.1437","0.1456","","","","","","1.202","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029110","6.4284","0.0009","14.765","0.002","19.116","0.003","90","","90","","90","","1814.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 S2 Si2 -","- C14 H22 S2 Si2 -","- C56 H88 S8 Si8 -","4","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.0359","0.0309","","","0.0794","0.083","","","","","","1.041","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029111","10.31","0.003","12.9","0.004","27.078","0.008","90","","94.648","0.007","90","","3589.5","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 S4 Si4 -","- C28 H40 S4 Si4 -","- C112 H160 S16 Si16 -","4","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.095","0.0588","","","0.1711","0.1873","","","","","","1.1","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029112","12.877","0.002","17.258","0.003","18.33","0.004","90","","90","","90","","4073.5","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H83 Cl3 O S8 Si8 -","- C57 H81 Cl3 O S8 Si8 -","- C114 H162 Cl6 O2 S16 Si16 -","2","0.5","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.1016","0.0854","","","0.2258","0.2429","","","","","","1.017","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029113","12.883","0.001","12.901","0.001","13.998","0.0011","113.895","0.001","109.77","0.001","93.747","0.001","1945.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 O S4 Si4 -","- C28 H40 O0.99 S4 Si4 -","- C56 H80 O1.98 S8 Si8 -","2","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.1201","0.0873","","","0.2557","0.2804","","","","","","1.077","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029114","9.8848","0.0019","10.654","0.002","19.076","0.004","90","","103.334","0.004","90","","1954.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O5 -","- C24 H18 N2 O5 -","- C96 H72 N8 O20 -","4","1","","Gai, Sinan; Zhang, Qing; Hu, Xiangdong","Total synthesis of asterredione.","The Journal of organic chemistry","2014","79","5","2111","2114","10.1021/jo4028177","","","0.71073","MoKα","","0.1368","0.0576","","","0.0984","0.1263","","","","","","1.003","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029115","22.236","0.005","11.456","0.003","8.0141","0.0017","90","","95.857","0.003","90","","2030.8","0.8","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 F N O4 S -","- C21 H24 F N O4 S -","- C84 H96 F4 N4 O16 S4 -","4","1","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B.; Singarapu, Kiran Kumar","Prins Cascade Cyclization for the Synthesis of 1,9-Dioxa-4-azaspiro[5.5]undecane Derivatives.","The Journal of organic chemistry","2014","79","5","2289","2295","10.1021/jo4027534","","","0.71073","MoKα","","0.0801","0.065","","","0.1642","0.1761","","","","","","1.073","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029116","12.781","0.005","14.374","0.005","14.946","0.007","90","","107.124","0.013","90","","2624.1","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O8 -","- C27 H32 N2 O8 -","- C108 H128 N8 O32 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0367","0.0353","","","0.0944","0.096","","","","","","1.041","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029117","7.79","0.001","14.768","0.001","21.795","0.002","90","","91.934","0.006","90","","2505.9","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O9 -","- C25 H29 N3 O9 -","- C100 H116 N12 O36 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.0787","0.0593","","","0.133","0.1379","","","","","","1.014","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029118","12.563","0.0008","21.5829","0.0013","9.2102","0.0006","90","","106.995","0.005","90","","2388.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl N2 O6 -","- C24 H31 Cl N2 O6 -","- C96 H124 Cl4 N8 O24 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5418","CuKα","","0.0634","0.0587","","","0.14","0.1421","","","","","","1.008","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029119","13.49","0.003","14.415","0.003","16.347","0.003","69.791","0.015","84.884","0.016","88.811","0.014","2971.1","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O6 S -","- C31 H34 N2 O6 S -","- C124 H136 N8 O24 S4 -","4","2","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.1041","0.081","","","0.2167","0.2331","","","","","","1.093","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029120","9.426","0.006","11.63","0.004","12.474","0.005","80.31","0.03","83.65","0.06","81.13","0.05","1326.8","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl3 N2 O6 -","- C25 H29 Cl3 N2 O6 -","- C50 H58 Cl6 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54187","CuKα","","0.0553","0.05","","","0.1296","0.1346","","","","","","1.017","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029121","8.005","","14.308","","20.389","","84.31","","85.91","","83.79","","2305.78","","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H61 N4 O12.5 -","- C48 H61.2 N4 O12.6 -","- C96 H122.4 N8 O25.2 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54187","CuKα","","0.0476","0.0381","","","0.1042","0.1085","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029122","9.393","0.002","11.183","0.003","14.185","0.002","75.57","0.03","71.46","0.04","80.53","0.04","1362.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl3 N2 O6 -","- C25 H29 Cl3 N2 O6 -","- C50 H58 Cl6 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0553","0.0497","","","0.1416","0.1485","","","","","","1.054","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029123","9.505","0.005","10.865","0.005","12.959","0.006","112.6","0.03","99.94","0.04","95.09","0.04","1199.2","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Br N2 O6 -","- C25 H29 Br N2 O6 -","- C50 H58 Br2 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.1552","0.1141","","","0.2167","0.2423","","","","","","1.051","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029124","10.0459","0.0009","10.3718","0.0009","12.8237","0.0011","96.672","0.006","91.767","0.007","101.295","0.006","1299.4","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N5 O6 -","- C25 H29 N5 O6 -","- C50 H58 N10 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.0721","0.0673","","","0.1535","0.1569","","","","","","1.055","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029125","5.764","0.005","11.669","0.01","21.43","0.019","90.02","0.02","95.25","0.03","97.5","0.05","1423","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cl3 N3 O7 -","- C25 H32 Cl3 N3 O7 -","- C50 H64 Cl6 N6 O14 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0706","0.064","","","0.1731","0.18","","","","","","1.034","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029126","18.056","0.007","20.067","0.009","29.141","0.009","90","","103.002","0.008","90","","10288","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.21 H128.41 Cl0.41 N12 O22 -","- C104.205 H128.41 Cl0.41 N12 O22 -","- C416.82 H513.64 Cl1.64 N48 O88 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.1055","0.072","","","0.1794","0.1934","","","","","","1.038","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029127","14.965","0.003","9.4631","0.0016","19.478","0.004","90","","92.257","0.007","90","","2756.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Br Cl3 N2 O6 -","- C25 H28 Br Cl3 N2 O6 -","- C100 H112 Br4 Cl12 N8 O24 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0566","0.0527","","","0.1362","0.1419","","","","","","1.055","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029128","8.6054","0.0015","10.8438","0.0019","12.533","0.002","109.706","0.003","96.255","0.004","91.632","0.004","1091.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 F3 O3 -","- C24 H23 F3 O3 -","- C48 H46 F6 O6 -","2","1","","Chong, Qinglei; Xin, Xiaoyi; Wang, Chunxiang; Wu, Fan; Wang, Haolong; Shi, Ji-Cheng; Wan, Boshun","DABCO-Catalyzed Synthesis of Trifluoromethylated Furans from Propargyl Alcohols and Methyl 2-Perfluoroalkynoate.","The Journal of organic chemistry","2014","79","5","2105","2110","10.1021/jo4028424","","","0.71073","MoKα","","0.0998","0.0697","","","0.1893","0.2181","","","","","","1.011","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029129","13.942","0.003","14.382","0.003","15.52","0.003","68.08","0.03","71.71","0.03","71.78","0.03","2672.8","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H20 Cl9 N O9 -","- C73 H20 Cl9 N O9 -","- C146 H40 Cl18 N2 O18 -","2","1","","Yu, Yuming; Xu, Liang; Huang, Xincheng; Gan, Liangbing","Near-Infrared Absorbing Compounds Based on π-Extended Tetrathiafulvalene Open-Cage Fullerenes.","The Journal of organic chemistry","2014","79","5","2156","2162","10.1021/jo5000048","","","0.71073","MoKα","","0.1821","0.1397","","","0.3273","0.3451","","","","","","1.761","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029130","13.809","0.004","14.082","0.004","16.063","0.005","100.669","0.003","106.061","0.002","107.353","0.003","2740.4","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H54 Cl8 N10 O6 -","- C166 H54 Cl8 N10 O6 -","- C166 H54 Cl8 N10 O6 -","1","0.5","","Yu, Yuming; Xu, Liang; Huang, Xincheng; Gan, Liangbing","Near-Infrared Absorbing Compounds Based on π-Extended Tetrathiafulvalene Open-Cage Fullerenes.","The Journal of organic chemistry","2014","79","5","2156","2162","10.1021/jo5000048","","","0.71073","MoKα","","0.0795","0.0707","","","0.1793","0.186","","","","","","1.105","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029131","11.475","0.0005","19.3971","0.0016","9.409","0.0008","90","","102.287","0.005","90","","2046.3","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0435","0.0328","","","0.0754","0.0847","","","","","","1.086","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029132","12.2601","0.0009","9.4289","0.0006","16.688","0.0004","90","","123.062","0.005","90","","1616.76","0.19","150","1","150","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C34 H42 N4 S2 -","- C34 H42 N4 S2 -","- C68 H84 N8 S4 -","2","0.5","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0376","0.0306","","","0.0775","0.0857","","","","","","1.073","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029133","11.346","0.0006","12.6179","0.0009","13.123","0.0008","90","","120.487","0.004","90","","1618.98","0.19","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N4 S2 -","- C18 H10 N4 S2 -","- C72 H40 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0387","0.0313","","","0.0731","0.0793","","","","","","1.097","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029134","12.012","","28.901","","8.702","","90","","105.7","","90","","2908.27","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H46 N4 S2 -","- C30 N4 S2 -","- C120 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0664","0.0547","","","0.1514","0.1638","","","","","","1.227","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029135","22.783","0.003","22.783","0.003","5.7864","0.0011","90","","90","","90","","3003.5","0.8","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C19 H19 N2 O1.5 -","- C19 H16 N2 -","- C152 H128 N16 -","8","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.0699","0.0597","","","0.1485","0.1522","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029136","10.826","0.004","16.541","0.007","17.451","0.007","90","","96.945","0.009","90","","3102","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 N2 -","- C19 H13 F3 N2 -","- C152 H104 F24 N16 -","8","2","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.0991","0.0511","","","0.0896","0.1027","","","","","","0.877","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029137","8.548","0.002","9.543","0.002","19.894","0.005","88.27","0.005","81.218","0.006","82.774","0.005","1591","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F3 N2 S -","- C16 H17 F3 N2 S -","- C64 H68 F12 N8 S4 -","4","2","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.1188","0.0645","","","0.1217","0.1436","","","","","","0.896","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029138","9.5265","0.0015","9.5816","0.0015","12.88","0.002","70.575","0.003","70.337","0.004","84.964","0.003","1043.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 F3 N3 -","- C26 H18 F3 N3 -","- C52 H36 F6 N6 -","2","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.1219","0.0723","","","0.153","0.178","","","","","","0.896","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029139","16.927","0.016","4.693","0.005","21.28","0.02","90","","110.54","0.02","90","","1583","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F3 N2 -","- C18 H19 F3 N2 -","- C72 H76 F12 N8 -","4","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.2318","0.0722","","","0.1216","0.1655","","","","","","0.782","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029140","13.0853","0.0013","11.4562","0.0012","20.7283","0.0019","90","","90","","90","","3107.3","0.5","170","2","170","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H24 N4 O3 -","- C15 H24 N4 O3 -","- C120 H192 N32 O24 -","8","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.1347","0.049","","","0.0706","0.0847","","","","","","0.842","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029141","13.4633","0.0018","13.1738","0.0015","10.3885","0.0014","90","","94.933","0.011","90","","1835.7","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N5 O3 -","- C19 H25 N5 O3 -","- C76 H100 N20 O12 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.2508","0.065","","","0.0685","0.1086","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029142","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","","0.71073","MoKα","","0.0755","0.0555","","","0.1346","0.143","","","","","","1.07","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029143","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0756","0.0556","","","0.1356","0.1441","","","","","","1.074","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029144","19.9358","0.0019","8.2953","0.0006","14.579","0.0014","90","","106.925","0.011","90","","2306.6","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H37 Br N4 O5 -","- C21 H37 Br N4 O5 -","- C84 H148 Br4 N16 O20 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.056","0.0394","","","0.0661","0.0711","","","","","","0.909","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029145","7.0723","0.0002","9.7167","0.0003","30.2173","0.0012","90","","97.09","0.004","90","","2060.64","0.12","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Br N4 O2 -","- C19 H33 Br N4 O2 -","- C76 H132 Br4 N16 O8 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0659","0.033","","","0.0596","0.063","","","","","","0.858","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029146","8.5713","0.0006","16.2981","0.0009","10.6625","0.0008","90","","104.402","0.008","90","","1442.7","0.18","170","2","170","2","","","100","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H44 Br2 N4 O3 -","- C28 H44 Br2 N4 O3 -","- C56 H88 Br4 N8 O6 -","2","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0473","0.0355","","","0.059","0.0616","","","","","","0.905","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029147","8.9495","0.0016","13.606","0.002","25.842","0.005","77.317","0.015","82.748","0.014","89.651","0.014","3044.6","0.9","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl2 Cu N4 O9 -","- C26 H38 Cl2 Cu N4 O9 -","- C104 H152 Cl8 Cu4 N16 O36 -","4","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.3102","0.0886","","","0.1355","0.2101","","","","","","0.853","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029148","13.3503","0.0014","14.8457","0.0014","15.8604","0.0014","92.71","0.007","94.643","0.008","110.551","0.009","2924.1","0.5","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H78 Br2 Cl2 Cu2 N8 O11 -","- C52 H78 Br2 Cl2 Cu2 N8 O11 -","- C104 H156 Br4 Cl4 Cu4 N16 O22 -","2","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.1745","0.0853","","","0.2167","0.248","","","","","","0.882","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029149","8.6196","0.0008","30.658","0.002","8.3348","0.0009","90","","118.123","0.013","90","","1942.5","0.4","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 Cu N4 O9 -","- C12 H28 Cl2 Cu N4 O9 -","- C48 H112 Cl8 Cu4 N16 O36 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0749","0.0468","","","0.0987","0.1068","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029150","13.0582","0.0009","10.94","0.0007","20.2904","0.0013","90","","91.285","0.006","90","","2897.9","0.3","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Br Cl Cu N4 O5 -","- C28 H42 Br Cl Cu N4 O5 -","- C112 H168 Br4 Cl4 Cu4 N16 O20 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.2068","0.0802","","","0.1071","0.1445","","","","","","1.008","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029151","17.4301","0.0008","16.1897","0.0006","6.7149","0.0003","90","","112.144","0.005","90","","1755.1","0.14","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Substitution Controlled Functionalization of ortho-Bromobenzylic Alcohols via Palladium Catalysis: Synthesis of Chromenes and Indenols.","The Journal of organic chemistry","2014","79","5","2059","2074","10.1021/jo402763m","","","1.54184","CuKα","","0.0521","0.047","","","0.1194","0.1347","","","","","","0.953","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029152","9.4414","0.0008","11.806","0.001","13.625","0.0018","111.028","0.002","109.779","0.002","96.138","0.001","1288.1","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Br2 O4 -","- C32 H22 Br2 O4 -","- C64 H44 Br4 O8 -","2","1","","Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying","Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.","The Journal of organic chemistry","2014","79","5","2075","2081","10.1021/jo4027758","","","0.71073","MoKα","","0.0317","0.026","","","0.06","0.0623","","","","","","1.034","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029153","33.16","0.004","9.213","0.0013","15.474","0.002","90","","97.427","0.002","90","","4687.7","1.1","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C256 H192 O32 -","8","1","","Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying","Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.","The Journal of organic chemistry","2014","79","5","2075","2081","10.1021/jo4027758","","","0.71073","MoKα","","0.0648","0.0448","","","0.0967","0.1058","","","","","","1.035","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029154","21.074","0.003","21.074","0.003","4.5777","0.0009","90","","90","","90","","2033","0.6","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.085","0.0799","","","0.1595","0.1657","","","","","","1.177","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029155","13.0408","0.0018","13.0408","0.0018","13.176","0.003","90","","90","","90","","2240.7","0.7","173","2","173","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C20 H16 Cl4 N12 -","- C20 H16 Cl4 N12 -","- C80 H64 Cl16 N48 -","4","0.25","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.041","0.0408","","","0.0939","0.094","","","","","","1.323","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029156","21.1267","0.0013","21.1267","0.0013","4.6047","0.0003","90","","90","","90","","2055.3","0.2","173","2","173","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0994","0.0882","","","0.1973","0.2045","","","","","","1.119","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029157","11.881","0.002","10.039","0.002","17.273","0.004","90","","91.42","0.03","90","","2059.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0634","0.0548","","","0.1696","0.1946","","","","","","1.189","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029158","10.422","0.002","10.12","0.002","20.745","0.004","90","","98.89","0.03","90","","2161.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N12 -","- C20 H18 Cl2 N12 -","- C80 H72 Cl8 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0839","0.0764","","","0.2363","0.2564","","","","","","1.154","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029159","11.842","0.002","10.406","0.002","20.383","0.006","90","","123.8","0.02","90","","2087.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br F N12 -","- C20 H18 Br F N12 -","- C80 H72 Br4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0514","0.0487","","","0.0996","0.1006","","","","","","1.245","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029160","17.041","0.005","9.345","0.003","19.211","0.006","90","","100.886","0.004","90","","3004.3","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 N O4 S2 -","- C37 H31 N O4 S2 -","- C148 H124 N4 O16 S8 -","4","1","","Li, Yang-Yang; Lu, Hai-Yan; Li, Meng; Li, Xiao-Jun; Chen, Chuan-Feng","Dihydroindeno[2,1-c]fluorene-Based Imide Dyes: Synthesis, Structures, Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2014","79","5","2139","2147","10.1021/jo4028616","","","0.71073","MoKα","","0.1004","0.0793","","","0.1621","0.1741","","","","","","1.101","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029161","8.1755","0.0007","11.8379","0.001","17.2853","0.0014","90","","100.316","0.001","90","","1645.8","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.088","0.0472","","","0.0943","0.109","","","","","","0.994","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029162","5.7192","0.0006","7.2557","0.0008","14.5967","0.0016","77.856","0.002","82.245","0.001","89.748","0.001","586.57","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C30 H20 Cl2 N2 O2 -","2","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.072","0.0452","","","0.101","0.1278","","","","","","1.061","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029163","9.94","0.0006","17.2417","0.0011","8.54","0.0005","90","","114.337","0.001","90","","1333.55","0.14","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.0564","0.0429","","","0.1056","0.1147","","","","","","1.046","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029164","12.8085","0.0004","15.4038","0.0005","28.8727","0.0012","84.217","0.003","82.467","0.003","87.202","0.003","5615","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H58 N12 O15 -","- C51 H58 N12 O15 -","- C204 H232 N48 O60 -","4","2","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1705","0.0762","","","0.2042","0.2479","","","","","","0.934","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029165","11.4144","0.0006","16.9099","0.0011","17.2091","0.0011","115.692","0.007","100.539","0.005","98.828","0.005","2839.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H118 N24 O34 S -","- C102 H118 N24 O34 S -","- C102 H118 N24 O34 S -","1","0.5","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1395","0.0838","","","0.2758","0.3383","","","","","","1.052","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029166","11.3397","0.001","18.6819","0.0017","18.769","0.0016","103.7","0.003","106.612","0.003","98.493","0.003","3601.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H79 N11 O19 S -","- C61 H79 N11 O19 S -","- C122 H158 N22 O38 S2 -","2","1","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1905","0.088","","","0.2338","0.2755","","","","","","0.99","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029167","17.3549","0.0009","17.3549","0.0009","22.6324","0.0012","90","","90","","120","","5903.4","0.5","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H84 K2 N20 O51 P -","- C90 H84 K2.02 N20 O51 P -","- C180 H168 K4.04 N40 O102 P2 -","2","0.166667","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1706","0.0966","","","0.274","0.3437","","","","","","1.034","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029168","18.3034","0.0014","18.3034","0.0014","40.426","0.008","90","","90","","120","","11729","3","298","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C46 H42 N10 O15 -","- C46 H42 N10 O15 -","- C276 H252 N60 O90 -","6","0.333333","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1723","0.0981","","","0.26","0.2882","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029169","6.054","0.0007","9.948","0.0014","20.427","0.003","90","","90","","90","","1230.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.1589","0.0913","","","0.1901","0.2263","","","","","","1.098","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029170","6.5512","0.0005","10.8875","0.0012","9.1118","0.0008","90","","105.048","0.005","90","","627.62","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0579","0.0421","","","0.0968","0.1035","","","","","","1.088","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029171","5.8457","0.0004","7.8597","0.0005","13.8602","0.0009","90","","96.64","0.004","90","","632.54","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0604","0.0436","","","0.1124","0.1263","","","","","","0.969","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029172","5.761","0.0002","15.919","0.0008","6.736","0.0003","90","","97.77","0.002","90","","612.08","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.035","0.0315","","","0.0721","0.0749","","","","","","1.08","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029173","10.2844","0.001","10.4765","0.001","12.2306","0.0012","67.419","0.002","65.621","0.002","68.528","0.002","1073.99","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Matsuda, Takanori; Sakurai, Yusuke","Gold(I)-catalyzed ring-expanding spiroannulation of cyclopropenones with enynes.","The Journal of organic chemistry","2014","79","6","2739","2745","10.1021/jo500045n","","","0.71073","MoKα","","0.0587","0.0483","","","0.1509","0.1774","","","","","","0.661","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029174","7.8008","0.0002","20.418","0.0004","23.6928","0.0017","90","","90","","90","","3773.7","0.3","260","0.02","260","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N O5 S2 -","- C39 H45 N O5 S2 -","- C156 H180 N4 O20 S8 -","4","1","","Padungros, Panuwat; Alberch, Laura; Wei, Alexander","Glycosyl Dithiocarbamates: β-Selective Couplings without Auxiliary Groups.","The Journal of organic chemistry","2014","79","6","2611","2624","10.1021/jo500032k","","","1.54184","CU-Kα","","0.066","0.039","","","0.084","0.111","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029175","12.898","0.007","8.464","0.004","15.905","0.008","90","","112.144","0.006","90","","1608.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone, 4'-desmethoxykealiiquinone, and 2-deoxykealiiquinone.","The Journal of organic chemistry","2014","79","6","2481","2490","10.1021/jo4027337","","","0.71073","MoKα","","0.085","0.0552","","","0.1461","0.1594","","","","","","1.021","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029176","10.4466","0.0011","9.6937","0.001","14.9923","0.0016","90","","105.916","0.002","90","","1460","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aS*,4R*,7aS*)-4-(2,5-Dimethoxyphenyl)hexahydro-2H-thieno[3,2-c]pyran","","- C15 H20 O3 S -","- C15 H20 O3 S -","- C60 H80 O12 S4 -","4","1","","Subba Reddy, B. V.; Venkateswarlu, A.; Borkar, Prashant; Yadav, J. S.; Sridhar, B.; Grée, René","Tuning the Reactivity of Oxygen/Sulfur by Acidity of the Catalyst in Prins Cyclization: Oxa- versus Thia-Selectivity.","The Journal of organic chemistry","2014","79","6","2716","2722","10.1021/jo402832t","","","0.71073","MoKα","","0.0451","0.0415","","","0.111","0.1145","","","","","","1.053","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029177","5.9223","0.0002","7.4335","0.0002","46.204","0.001","90","","90","","90","","2034.06","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 O7 P -","- C21 H27 O7 P -","- C84 H108 O28 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0784","0.0563","","","0.095","0.1028","","","","","","1.112","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029178","9.8635","0.0005","9.864","","20.2533","0.0013","90","","90","","90","","1970.52","0.16","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N O6 P -","- C18 H26 N O6 P -","- C72 H104 N4 O24 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0555","0.0412","","","0.0765","0.0809","","","","","","0.937","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029179","10.2658","0.0002","14.8585","0.0003","17.0388","0.0004","90","","100.905","0.0013","90","","2552.07","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl F6 N2 O P -","- C24 H31 Cl F6 N2 O P -","- C96 H124 Cl4 F24 N8 O4 P4 -","4","2","","Takeda, Momotaro; Takatsu, Keishi; Shintani, Ryo; Hayashi, Tamio","Synthesis of quaternary carbon stereocenters by copper-catalyzed asymmetric allylic substitution of allyl phosphates with arylboronates.","The Journal of organic chemistry","2014","79","6","2354","2367","10.1021/jo500068p","","","1.54187","CuKα","","0.0966","0.0689","","","0.1706","0.1901","","","","","","1.095","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029180","7.5132","0.0004","12.001","0.0009","13.375","0.0009","78.084","0.006","79.26","0.005","73.336","0.006","1119.98","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0902","0.0576","","","0.1321","0.1522","","","","","","1.029","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029181","21.9005","0.0008","11.9505","0.0004","21.1324","0.0009","90","","104.066","0.004","90","","5365","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C264 H320 O32 -","8","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0872","0.0524","","","0.1057","0.1234","","","","","","1.029","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029182","15.2492","0.0004","7.6175","0.0002","23.1871","0.0006","90","","91.092","0.002","90","","2692.94","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0789","0.051","","","0.1069","0.1224","","","","","","1.021","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029183","10.322","0.003","11.312","0.004","18.663","0.006","90","","90","","90","","2179.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Boc-Ala-S-)2","","","- C16 H28 N2 O6 S2 -","- C16 H28 N2 O6 S2 -","- C64 H112 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","","0.71073","MoKα","","0.1518","0.0684","","","0.117","0.1484","","","","","","0.943","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029184","23.375","0.011","9.575","0.004","10.58","0.005","90","","90","","90","","2368","1.9","100","2","100","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","(Boc-Aib-S)2","","","- C18 H32 N2 O6 S2 -","- C18 H32 N2 O6 S2 -","- C72 H128 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","x-ray","0.71073","MoKα","","0.0748","0.0386","","","0.068","0.0767","","","","","","0.766","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029185","8.3861","0.0014","8.3872","0.0014","9.008","0.0016","95.574","0.012","100.912","0.012","112.227","0.011","565.89","0.18","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C24 H20 Br2 N2 O2 -","2","1","","Lin, Mei-Huey; Huang, Yen-Chih; Kuo, Chung-Kai; Tsai, Chang-Hsien; Li, Yi-Syuan; Hu, Ting-Chia; Chuang, Tsung-Hsun","γ-Halo-enones: A Method for their Synthesis from Arylacyl Halides and Their Application to the Preparation of Five-Membered Ring Heterocycles.","The Journal of organic chemistry","2014","79","6","2751","2757","10.1021/jo5001274","","","0.71073","MoKα","","0.0551","0.0341","","","0.0769","0.0846","","","","","","1.007","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029186","10.463","0.003","12.044","0.004","10.74","0.004","90","","118.36","0.02","90","","1191","0.7","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl3 O -","- C11 H9 Cl3 O -","- C44 H36 Cl12 O4 -","4","1","","Lin, Mei-Huey; Huang, Yen-Chih; Kuo, Chung-Kai; Tsai, Chang-Hsien; Li, Yi-Syuan; Hu, Ting-Chia; Chuang, Tsung-Hsun","γ-Halo-enones: A Method for their Synthesis from Arylacyl Halides and Their Application to the Preparation of Five-Membered Ring Heterocycles.","The Journal of organic chemistry","2014","79","6","2751","2757","10.1021/jo5001274","","","0.71073","MoKα","","0.0753","0.0397","","","0.1241","0.1543","","","","","","0.89","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029187","12.237","0.004","12.745","0.004","17.157","0.006","79.464","0.006","89.857","0.006","65.497","0.005","2385.7","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H44 N4 O4.5 -","- C62 H44 N4 O4.5 -","- C124 H88 N8 O9 -","2","1","","Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi","Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state.","The Journal of organic chemistry","2014","79","6","2729","2732","10.1021/jo402884a","","","0.71073","MoKα","","0.1588","0.0615","","","0.1291","0.1738","","","","","","0.951","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029188","12.024","0.003","12.744","0.003","18.613","0.005","97.529","0.004","98.367","0.004","115.203","0.003","2493.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H46 N4 O4 -","- C66 H46 N4 O4 -","- C132 H92 N8 O8 -","2","1","","Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi","Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state.","The Journal of organic chemistry","2014","79","6","2729","2732","10.1021/jo402884a","","","0.71073","MoKα","","0.1294","0.0554","","","0.1236","0.1611","","","","","","0.971","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029189","14.469","0.002","5.222","0.0007","10.7063","0.0012","90","","91.703","0.005","90","","808.58","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","","0.71073","MoKα","","0.057","0.038","","","0.0807","0.0864","","","","","","1.123","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029190","14.882","0.004","15.8","0.004","25.597","0.007","74.962","0.003","85.165","0.003","66.031","0.003","5310","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C101 H104 Cl6 N8 O18 Pd S4 Si2 -","- C101 H104 Cl6 N8 O18 Pd S4 Si2 -","- C202 H208 Cl12 N16 O36 Pd2 S8 Si4 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","","0.1345","0.1189","","","0.2544","0.2628","","","","","","1.227","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029191","9.969","0.008","15.383","0.012","15.774","0.015","110.732","0.014","108.3","0.01","100.249","0.01","2031","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H38 Cl2 N4 O5 S2 -","- C44 H36 N4 O5 S2 -","- C88 H72 N8 O10 S4 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","","0.0633","0.0528","","","0.1608","0.1711","","","","","","1.02","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029192","12.7356","0.0011","27.212","0.002","15.5575","0.0012","90","","105.497","0.002","90","","5195.6","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 Cl2 N5 O9 S3 Si -","- C50 H55 Cl2 N5 O9 S3 Si -","- C200 H220 Cl8 N20 O36 S12 Si4 -","4","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","K-L~3~","0.0638","0.0395","","","0.0874","0.0995","","","","","","1.018","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029193","6.364","0.0003","14.8688","0.0007","15.0929","0.0007","115.087","0.003","94.217","0.003","99.764","0.003","1257.67","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O3 -","- C32 H28 N2 O3 -","- C64 H56 N4 O6 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","1.54178","CuKα","K-L~3~","0.0567","0.0445","","","0.1126","0.1207","","","","","","1.069","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029194","22.7985","0.0006","5.4732","0.0001","25.1189","0.0005","90","","90.3016","0.0018","90","","3134.31","0.12","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","1","","Nakanishi, Kentaro; Sasamori, Takahiro; Kuramochi, Kouji; Tokitoh, Norihiro; Kawabata, Takeo; Tsubaki, Kazunori","Synthesis and properties of butterfly-shaped expanded naphthofuran derivatives.","The Journal of organic chemistry","2014","79","6","2625","2631","10.1021/jo500085a","","","0.71075","MoKα","","0.0506","0.0467","","","0.1194","0.1226","","","","","","1.067","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029195","6.764","0.0011","10.571","0.0017","15.916","0.003","90","","93.658","0.002","90","","1135.7","0.3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Suzuki, Takahiro; Okuyama, Hiroshi; Takano, Atsuhiro; Suzuki, Shinya; Shimizu, Isao; Kobayashi, Susumu","Synthesis of Dibarrelane, a Dibicyclo[2.2.2]octane Hydrocarbon.","The Journal of organic chemistry","2014","79","6","2803","2808","10.1021/jo5003455","","","0.71073","MoKα","","0.0671","0.0639","","","0.1699","0.1735","","","","","","1.045","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029196","7.2254","0.0004","20.6292","0.0012","11.4979","0.0007","90","","106.716","0.001","90","","1641.39","0.17","90","2","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.043","0.033","","","0.0878","0.0948","","","","","","1.032","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029197","9.7237","0.0011","18.257","0.002","19.364","0.002","90","","91.061","0.001","90","","3437","0.6","90","2","90","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","4","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.033","0.0306","","","0.0757","0.0775","","","","","","1.043","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029198","9.252","0.0006","19.5079","0.0012","10.9612","0.0007","90","","112.651","0.001","90","","1825.8","0.2","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0259","0.0249","","","0.064","0.065","","","","","","1.056","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029199","12.3792","0.0004","13.7629","0.0004","14.2146","0.0004","61.678","0.001","87.308","0.001","82.561","0.001","2113.66","0.11","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.083 H20.166 Cl0.166 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","2","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","1.54178","CuKα","","0.0499","0.0462","","","0.1223","0.1248","","","","","","1.043","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029200","7.6276","0.0008","10.0615","0.001","13.8356","0.0014","87.1409","0.0013","80.4019","0.0014","85.7471","0.0013","1043.31","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C44 H54 N2 O12 S2 -","2","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0297","0.0284","","","0.0772","0.0783","","","","","","1.032","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029201","8.635","0.002","14.029","0.004","28.189","0.007","90","","90","","90","","3414.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0339","0.0308","","","0.0804","0.083","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029202","7.6123","0.0002","12.0814","0.0003","22.5696","0.0005","83.4051","0.0013","83.9689","0.0012","76.2855","0.0012","1996.62","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N4 O8 -","- C47 H40 N4 O8 -","- C94 H80 N8 O16 -","2","1","","Kakeya, Kazuhisa; Aozasa, Masakatsu; Mizutani, Tadashi; Hitomi, Yutaka; Kodera, Masahito","Nucleophilic Ring Opening of meso-Substituted 5-Oxaporphyrin by Oxygen, Nitrogen, Sulfur, and Carbon Nucleophiles.","The Journal of organic chemistry","2014","79","6","2591","2600","10.1021/jo5000412","","","1.54187","CuKα","","0.0811","0.056","","","0.1482","0.1753","","","","","","1.093","","","","has coordinates","295947","2024-11-15","22:25:06",""
"4029204","10.5387","0.0004","12.2952","0.0006","13.308","0.0005","117.374","0.004","90.911","0.003","111.778","0.004","1385.17","0.13","295","","295","","","","","","","","","3","P -1","-P 1","2","kingianin precursor","","","- C34 H36 O6 -","- C34 H36 O6 -","- C68 H72 O12 -","2","1","","Lim, Hee Nam; Parker, Kathlyn A.","Intermolecular Radical Cation Diels-Alder (RCDA) Reaction of Bicyclooctadienes: Biomimetic Formal Total Synthesis of Kingianin A and Total Syntheses of Kingianins D, F, H, and J.","The Journal of organic chemistry","2014","79","3","919","","10.1021/jo402082y","","","1.5418","CuKα","","0.0535","0.0427","","","0.1145","0.1246","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029205","8.8266","0.0015","15.669","0.003","16.195","0.003","105.691","0.0015","101.137","0.003","97.772","0.002","2073.7","0.7","127","","127","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H56 S3 Si8 -","- C26 H56 S3 Si8 -","- C52 H112 S6 Si16 -","2","1","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0312","","","","0.0865","","","","","","1.046","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029206","15.679","0.003","12.9928","0.0018","24.253","0.004","90","","102.693","0.0018","90","","4819.9","1.4","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 S4 Si8 -","- C34 H62 S4 Si8 -","- C136 H248 S16 Si32 -","4","0.5","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0375","","","","0.0919","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029207","8.7738","0.0018","9.091","0.002","14.938","0.004","86.627","0.011","76.94","0.009","61.217","0.007","1015.5","0.4","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H58 S2 Si8 -","- C26 H58 S2 Si8 -","- C26 H58 S2 Si8 -","1","0.5","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0325","","","","0.0832","","","","","","1.08","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029208","7.3954","0.0003","18.5356","0.0008","11.7063","0.0005","90","","98.174","0.002","90","","1588.38","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.0587","0.0471","","","0.1918","0.2173","","","","","","0.963","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029209","7.316","0.0003","19.1541","0.0007","9.9831","0.0003","90","","123.731","0.002","90","","1163.44","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.1538","0.0735","","","0.1127","0.1167","","","","","","2.644","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029210","18.721","0.003","7.6048","0.0009","10.974","0.0014","90","","105.078","0.004","90","","1508.6","0.4","159","2","159","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Fe N O -","- C17 H21 Fe N O -","- C68 H84 Fe4 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.0528","0.0473","","","0.124","0.13","","","","","","1.088","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4029211","13.008","0.0005","12.3345","0.0007","13.6514","0.0005","90","","101.532","0.003","90","","2146.11","0.17","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C116 H76 N12 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0543","0.0468","","","0.0908","0.0941","","","","","","0.997","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029212","12.344","0.0006","9.313","0.0005","18.3365","0.0009","90","","105.625","0.004","90","","2030.06","0.18","253","2","253","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N4 -","- C27 H16 N4 -","- C108 H64 N16 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0449","0.0399","","","0.1034","0.1071","","","","","","1.019","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029213","14.727","0.0011","17.0452","0.0007","8.0627","0.0006","90","","104.659","0.008","90","","1958.1","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C104 H76 N12 O4 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0524","0.0342","","","0.0853","0.0907","","","","","","0.97","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029214","11.0463","0.0005","17.4093","0.0006","9.5507","0.0005","90","","110.929","0.004","90","","1715.5","0.14","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O S -","- C21 H14 N2 O S -","- C84 H56 N8 O4 S4 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0616","0.0579","","","0.1606","0.1646","","","","","","1.167","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029215","7.8354","0.0002","16.7282","0.0005","17.0838","0.0005","90","","90","","90","","2239.21","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0388","0.0332","","0.0787","0.076","0.0787","","","","","","1.0277","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029216","10.3113","0.0001","15.9233","0.0002","17.7014","0.0003","90","","90","","90","","2906.39","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","2","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0393","0.0339","","0.0801","0.0777","0.0801","","","","","","1.0123","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029217","13.798","0.004","9.8024","0.0018","21.099","0.006","90","","107.461","0.008","90","","2722.2","1.2","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N3 O11 -","- C27 H31 N3 O11 -","- C108 H124 N12 O44 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1367","0.071","","0.1971","0.1485","0.1971","","","","","","1.027","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029218","13.1092","0.0003","7.6887","0.0001","22.7914","0.0004","90","","96.0419","0.0009","90","","2284.45","0.07","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O4 -","- C13 H11 N O4 -","- C104 H88 N8 O32 -","8","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0464","0.033","","0.0397","0.0364","0.0364","","","","","","1.1443","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029219","8.2762","0.0003","23.8663","0.0011","14.7994","0.0007","90","","90.02","0.002","90","","2923.2","0.2","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","2","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.2065","0.0688","","0.1541","0.1099","0.1541","","","","","","0.9467","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029220","16.1476","0.0003","9.4116","0.0001","23.5383","0.0005","90","","109.522","0.001","90","","3371.58","0.1","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 N3 O8 -","- C41 H35 N3 O8 -","- C164 H140 N12 O32 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0663","0.0501","","0.1275","0.1195","0.1275","","","","","","0.9617","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029221","11.6839","0.0004","6.7445","0.0002","18.861","0.0006","90","","102.552","0.002","90","","1450.76","0.08","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.056","0.0398","","0.0982","0.0904","0.0982","","","","","","0.9952","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029222","11.9348","0.0003","6.0568","0.0002","15.6499","0.0005","90","","90","","90","","1131.28","0.06","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.03","0.0256","","0.0325","0.0296","0.0296","","","","","","1.1834","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029223","8.711","0.0002","8.6675","0.0002","19.1924","0.0005","90","","91.7908","0.0014","90","","1448.37","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0463","0.039","","0.1023","0.098","0.1023","","","","","","1.0217","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029224","12.2122","0.0004","9.272","0.0002","19.8137","0.0008","90","","90","","90","","2243.54","0.13","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","0.5","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1065","0.0755","","0.1627","0.1504","0.1627","","","","","","1.0193","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029225","5.8152","0.0007","14.74","0.0017","18.259","0.002","90","","90","","90","","1565.1","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl F N O S -","- C14 H19 Cl F N O S -","- C56 H76 Cl4 F4 N4 O4 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0488","0.0456","","","0.1238","0.1266","","","","","","1.084","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029226","11.2581","0.0013","22.546","0.003","34.795","0.004","90","","90","","90","","8831.8","1.9","293","2","293","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl F N O2 S -","- C23 H21 Cl F N O2 S -","- C368 H336 Cl16 F16 N16 O32 S16 -","16","2","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0904","0.0603","","","0.1713","0.1989","","","","","","0.994","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029227","7.502","0.0009","24.273","0.003","12.3458","0.0016","90","","90","","90","","2248.1","0.5","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 F N O2 S -","- C25 H26 F N O2 S -","- C100 H104 F4 N4 O8 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0673","0.0551","","","0.1263","0.1322","","","","","","1.082","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029228","16.4375","0.0014","13.4404","0.0011","18.1129","0.0013","90","","112.239","0.003","90","","3704","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","2","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.057","0.0415","","","0.1051","0.118","","","","","","1.034","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029229","7.3516","0.0017","7.508","0.0016","12.151","0.003","84.727","0.011","81.04","0.012","70.003","0.011","622","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C28 H28 N4 O6 -","2","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0477","0.0413","","","0.119","0.1318","","","","","","1.08","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029230","13.6562","0.0012","9.0022","0.0008","12.1433","0.001","90","","106.251","0.004","90","","1433.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0522","0.0392","","","0.1144","0.1324","","","","","","1.095","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029231","9.151","0.005","10.361","0.007","18.314","0.015","90","","90","","90","","1736","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0394","0.0355","","","0.0901","0.0945","","","","","","1.088","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029232","10.278","0.005","10.278","0.005","11.406","0.007","90","","90","","120","","1043.5","1","293","2","293","2","","","","","","","","7","P 31","P 31","144","","","","- C11 H9 Cl F4 N2 O S -","- C11 H9 Cl F4 N2 O S -","- C33 H27 Cl3 F12 N6 O3 S3 -","3","1","","Yang, Kai; Liu, Li-Juan; Liu, Jin-Tao","The synthesis and strecker reaction of 2-chlorotetrafluoroethanesulfinyl ketimines.","The Journal of organic chemistry","2014","79","7","3215","3220","10.1021/jo500008e","","","0.71073","MoKα","","0.0503","0.0466","","","0.1234","0.1274","","","","","","1.068","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029233","11.464","0.0007","13.4589","0.0008","14.008","0.0008","90","","90","","90","","2161.3","0.2","90","0.1","90","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Centko, Ryan M; Williams, David E; Patrick, Brian O; Akhtar, Yasmin; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Isman, Murray B; de Silva, E Dilip; Andersen, Raymond J","Dhilirolides E-N, Meroterpenoids Produced in Culture by the Fungus Penicillium purpurogenum Collected in Sri Lanka: Structure Elucidation, Stable Isotope Feeding Studies, and Insecticidal Activity.","The Journal of organic chemistry","2014","79","8","3327","3335","10.1021/jo4024039","","","1.54178","CuKα","","0.0267","0.0264","","","0.0695","0.0698","","","","","","1.038","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029234","7.2879","0.0012","18.828","0.003","8.5038","0.0014","90","","93.045","0.006","90","","1165.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.1153","0.0564","","","0.1127","0.1387","","","","","","1.018","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029235","11.8416","0.0004","6.0888","0.0002","21.1714","0.0007","90","","105.7","0.002","90","","1469.53","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0575","0.046","","","0.1218","0.131","","","","","","1.038","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029236","9.61","0.0003","26.7655","0.0008","6.8056","0.0002","90","","105.485","0.001","90","","1686.97","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0591","0.0498","","","0.1314","0.139","","","","","","1.071","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029237","7.7337","0.0002","9.7692","0.0002","11.6204","0.0003","99.709","0.001","95.981","0.001","106.25","0.001","820.1","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 F3 N4 O4 -","- C17 H11 F3 N4 O4 -","- C34 H22 F6 N8 O8 -","2","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0698","0.0459","","","0.1128","0.1305","","","","","","1.026","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029238","12.4481","0.0014","14.0884","0.0016","9.799","0.0011","90","","121.412","0.003","90","","1466.6","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0801","0.0523","","","0.1155","0.1312","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029239","5.1685","0.0002","10.4961","0.0004","21.9445","0.0007","90","","90","","90","","1190.47","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0579","0.0369","","0.0841","0.0757","0.0841","","","","","","0.9872","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029240","4.7511","0.0005","13.5474","0.001","20.995","0.0018","90","","90","","90","","1351.3","0.2","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O7 -","- C14 H16 O7 -","- C56 H64 O28 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.1224","0.0714","","0.1255","0.1098","0.1255","","","","","","1.0061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029241","10.2259","0.0006","4.7596","0.0003","13.9296","0.0008","90","","108.834","0.003","90","","641.67","0.07","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0483","0.0395","","0.0909","0.0865","0.0909","","","","","","1.0209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029242","14.5162","0.0012","8.5913","0.001","15.467","0.0014","90","","94.824","0.007","90","","1922.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H34 N4 O -","- C49 H34 N4 O -","- C98 H68 N8 O2 -","2","0.5","","Liu, Bin; Li, Xiaofang; Maciołek, Justyna; Stępień, Marcin; Chmielewski, Piotr J","Regioselective Internal Carbonylation of the 2-Aza-21-carbaporphyrin: Access to Configurationally Stable Chiral Porphyrinoids.","The Journal of organic chemistry","2014","79","7","3129","3139","10.1021/jo500272t","","","1.54178","CuKα","","0.1543","0.0987","","","0.2186","0.2296","","","","","","1.445","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029243","14.6447","0.0015","8.4919","0.0007","15.438","0.0011","90","","94.18","0.008","90","","1914.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N4 O2 -","- C50 H34 N4 O2 -","- C100 H68 N8 O4 -","2","0.5","","Liu, Bin; Li, Xiaofang; Maciołek, Justyna; Stępień, Marcin; Chmielewski, Piotr J","Regioselective Internal Carbonylation of the 2-Aza-21-carbaporphyrin: Access to Configurationally Stable Chiral Porphyrinoids.","The Journal of organic chemistry","2014","79","7","3129","3139","10.1021/jo500272t","","","1.54178","CuKα","","0.1108","0.0838","","","0.2139","0.2374","","","","","","1.13","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029244","8.655","0.013","10.845","0.016","12.574","0.018","104.939","0.017","107.636","0.017","102.881","0.019","1027","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C52 H42 N6 O4 -","2","1","","Hao, Wenyan; Jiang, Yuanyuan; Cai, Mingzhong","Synthesis of Indolyl Imidazole Derivatives via Base-Promoted Tandem Reaction of N-[2-(1-Alkynyl)phenyl]carbodiimides with Isocyanides.","The Journal of organic chemistry","2014","79","8","3634","3640","10.1021/jo402552c","","","0.71073","MoKα","","0.1214","0.106","","","0.282","0.3004","","","","","","1.01","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029245","8.914","0.0001","8.3961","0.0001","14.3759","0.0002","90","","91.907","0.001","90","","1075.34","0.02","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","VRT-1205044","","- C21 H23 N5 O5 -","- C21 H23 N5 O5 -","- C42 H46 N10 O10 -","2","1","","Bligh, Cavan M; Anzalone, Luigi; Jung, Young Chun; Zhang, Yuegang; Nugent, William A","Preparation of both c5' epimers of 5'-C-methyladenosine: reagent control trumps substrate control.","The Journal of organic chemistry","2014","79","7","3238","3243","10.1021/jo500089t","","","1.54178","CuKα","","0.0303","0.0301","","","0.0705","0.0708","","","","","","1.141","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029246","18.255","0.008","12.344","0.005","14.056","0.006","90","","103.505","0.005","90","","3080","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","2","","Hong, Xiaohu; Wang, Hao; Qian, Guangyin; Tan, Qitao; Xu, Bin","Rhodium-catalyzed direct C-h bond cyanation of arenes with isocyanide.","The Journal of organic chemistry","2014","79","7","3228","3237","10.1021/jo500087g","","","0.71073","MoKα","","0.1367","0.0812","","","0.17","0.1966","","","","","","1.07","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029247","8.739","0.004","10.227","0.005","7.217","0.003","90","","98.656","0.009","90","","637.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N5 -","- C6 H3 N5 -","- C24 H12 N20 -","4","1","","Liu, Shanshan; Lentz, Dieter; Tzschucke, C Christoph","Conversion of pyridine N-oxides to tetrazolopyridines.","The Journal of organic chemistry","2014","79","7","3249","3254","10.1021/jo500231m","","","0.71073","MoKα","","0.0686","0.0544","","","0.1572","0.1667","","","","","","1.075","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029248","6.5888","0.0013","22.383","0.005","8.77","0.0018","90","","99.58","0.03","90","","1275.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.1042","0.0428","","","0.0761","0.0956","","","","","","0.993","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029249","6.2959","0.0009","21.648","0.003","9.8033","0.0014","90","","107.774","0.002","90","","1272.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.0603","0.0386","","","0.0907","0.1011","","","","","","1.003","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029250","9.4499","0.0011","14.5191","0.0014","24.11","0.002","90","","90","","90","","3308","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of Naphthalene Amino Esters by the Blaise Reaction of o-Alkynylarenenitriles.","The Journal of organic chemistry","2014","79","7","3244","3248","10.1021/jo500137m","","","0.71073","MoKα","","0.108","0.0603","","","0.1372","0.162","","","","","","1.013","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4029251","10.552","0.003","11.01","0.003","11.195","0.004","102.898","0.003","115.514","0.003","103.025","0.003","1065","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 F3 N3 O2 S -","- C21 H18 F3 N3 O2 S -","- C42 H36 F6 N6 O4 S2 -","2","1","","Wang, Hao; Yu, Yang; Hong, Xiaohu; Tan, Qitao; Xu, Bin","Rhodium-Catalyzed Direct ortho C-N Bond Formation of Aromatic Azo Compounds with Azides.","The Journal of organic chemistry","2014","79","7","3279","3288","10.1021/jo500412w","","","0.71073","MoKα","","0.1072","0.0794","","","0.2308","0.2577","","","","","","1.067","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029252","34.511","0.003","8.6859","0.0008","18.3438","0.0017","90","","90","","90","","5498.7","0.9","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C240 H280 N8 O16 -","8","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0763","","","","0.2328","","","","","","1.057","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029253","26.203","0.003","8.9809","0.0009","11.0665","0.0011","90","","90","","90","","2604.2","0.5","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0514","","","","0.1477","","","","","","1.071","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029254","9.34","0.003","11.0137","0.001","25.4582","0.0011","90","","90","","90","","2618.8","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","0.0576","0.0464","","","0.1239","0.1328","","","","","","1.077","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029255","34.467","0.004","16.0663","0.0018","9.5149","0.001","90","","93.017","0.007","90","","5261.6","1","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C240 H280 N8 O16 -","8","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0845","","","","0.273","","","","","","1.026","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029256","9.3007","0.00017","10.82862","0.00017","24.9809","0.0007","90","","90","","90","","2515.92","0.09","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0397","","","","0.0971","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029257","14.794","0.019","32.47","0.05","17.79","0.03","90","","100.281","0.016","90","","8408","2","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C182 H94 N14 O4 S2 -","- C182 H96 N14 O4 S2 -","- C364 H192 N28 O8 S4 -","2","0.5","","Sakaguchi, Ken-Ichi; Kamimura, Takuya; Uno, Hidemitsu; Mori, Shigeki; Ozako, Shuwa; Nobukuni, Hirofumi; Ishida, Masatoshi; Tani, Fumito","Phenothiazine-bridged cyclic porphyrin dimers as high-affinity hosts for fullerenes and linear array of c60 in self-assembled porphyrin nanotube.","The Journal of organic chemistry","2014","79","7","2980","2992","10.1021/jo500034f","","","0.71041","synchrotron","","0.1729","0.0832","","","0.2156","0.2384","","","","","","1.068","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029258","10.0257","0.0008","21.929","0.002","15.9556","0.0014","90","","91.711","0.007","90","","3506.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 I N2 O7 S -","- C38 H36 I N2 O7 S -","- C152 H144 I4 N8 O28 S4 -","4","1","","Hu, Yancheng; Yi, Ruxia; Wang, Chunxiang; Xin, Xiaoyi; Wu, Fan; Wan, Boshun","From Propargylamides to Oxazole Derivatives: NIS-Mediated Cyclization and Further Oxidation by Dioxygen.","The Journal of organic chemistry","2014","79","7","3052","3059","10.1021/jo5001719","","","0.71073","MoKα","","0.1033","0.0582","","","0.1532","0.173","","","","","","1.122","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029259","21.5783","0.0013","10.3365","0.0006","5.9411","0.0002","90","","90","","90","","1325.13","0.12","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H13 N S -","- C16 H13 N S -","- C64 H52 N4 S4 -","4","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0398","0.0354","","","0.0911","0.0955","","","","","","1.037","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029260","6.7761","0.0005","11.2906","0.0007","11.3537","0.0008","90","","102.15","0.007","90","","849.17","0.1","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O2 S -","- C20 H18 O2 S -","- C40 H36 O4 S2 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0429","0.0376","","","0.0938","0.0991","","","","","","1.051","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029261","4.88121","0.00019","15.8851","0.0006","10.0737","0.0004","90","","90.732","0.004","90","","781.04","0.05","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C32 H34 N2 O2 S4 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","0.7107","MoKα","","0.05","0.0389","","","0.0827","0.0891","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029262","9.7854","0.0012","7.299","0.0009","26.568","0.003","90","","96.485","0.002","90","","1885.4","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","Yang, Hai-Bin; Zhao, Yun-Zhou; Sang, Rui; Shi, Min","(DHQ)2AQN-Catalyzed Asymmetric Substitution of Isatin-Derived Hydrazones with O-Boc-Protected Morita-Baylis-Hillman Adducts: A Strategy for Synthesizing Enantioenriched Azo Compounds Incorporating an Oxindole Scaffold.","The Journal of organic chemistry","2014","79","8","3519","3528","10.1021/jo5003246","","","0.71073","MoKα","","0.0694","0.0512","","","0.1291","0.14","","","","","","1.055","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029263","10.0361","0.0003","10.0361","0.0003","15.3067","0.0004","90","","90","","90","","1541.74","0.08","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0898","0.0573","","","0.1074","0.1206","","","","","","1.015","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029264","5.9961","0.0001","9.1613","0.0002","25.6885","0.0007","90","","90","","90","","1411.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O2 S2 -","- C13 H19 N O2 S2 -","- C52 H76 N4 O8 S8 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0474","0.0398","","","0.0912","0.0963","","","","","","1.036","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029265","8.9323","0.0002","10.4477","0.0002","16.1303","0.0003","90","","90","","90","","1505.31","0.05","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 S -","- C14 H23 N O4 S -","- C56 H92 N4 O16 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0398","0.0354","","","0.0944","0.0981","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029266","5.8566","0.0001","12.8241","0.0003","20.0677","0.0005","90","","90","","90","","1507.2","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0526","0.0424","","","0.1002","0.1063","","","","","","1.046","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029267","7.6984","0.0003","9.2444","0.0003","10.9871","0.0005","90","","110.048","0.0014","90","","734.54","0.05","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O2 S2 -","- C13 H21 N O2 S2 -","- C26 H42 N2 O4 S4 -","2","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0387","0.0334","","","0.0873","0.0912","","","","","","1.005","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029268","6.1309","0.0001","9.3097","0.0001","25.4281","0.0005","90","","90","","90","","1451.36","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.039","0.0345","","","0.088","0.0909","","","","","","1.008","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029269","9.6316","0.0004","10.2372","0.0004","10.7405","0.0005","97.58","0.002","94.223","0.002","108.013","0.002","990.93","0.07","150","2","150","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H30 N O3 P S -","- C18 H30 N O3 P S -","- C36 H60 N2 O6 P2 S2 -","2","2","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0304","0.0287","","","0.0731","0.0743","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029270","5.7765","0.0002","10.9416","0.0004","14.4434","0.0006","90","","93.134","0.002","90","","911.52","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O5 -","- C17 H31 N O5 -","- C34 H62 N2 O10 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0478","0.0414","","","0.0886","0.0923","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029271","8.5091","0.0019","5.3731","0.0011","16.347","0.004","90","","92.714","0.007","90","","746.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0443","0.0386","","","0.0977","0.1031","","","","","","1.044","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029272","8.9941","0.0007","7.718","0.0005","10.8751","0.0009","90","","101.498","0.003","90","","739.76","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0401","0.036","","","0.0841","0.0862","","","","","","1.102","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029273","6.8561","0.0002","12.1178","0.0005","18.7361","0.0008","90","","90","","90","","1556.61","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0851","0.0879","","","","","","1.112","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029274","9.4518","0.0006","9.6464","0.0006","10.9137","0.0007","90","","99.425","0.003","90","","981.63","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 O5 P -","- C21 H25 O5 P -","- C42 H50 O10 P2 -","2","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","x-ray","0.56085","AgKα","","0.0485","0.0409","","","0.0947","0.1","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029275","6.2585","0.0003","15.968","0.0007","17.0842","0.0008","90","","90","","90","","1707.32","0.14","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","","0.56086","AgKα","","0.0442","0.038","","","0.0886","0.0924","","","","","","1.075","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029276","9.78","0.003","10.383","0.003","13.081","0.004","97.135","0.006","110.846","0.01","102.196","0.009","1184.1","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 B Br N3 O8 -","- C20 H25 B Br N3 O8 -","- C40 H50 B2 Br2 N6 O16 -","2","1","","Suchý, Mojmír; Hudson, Robert H E","Pyrimidine-Fused Heterocyclic Frameworks Based on an N4-Arylcytosine Scaffold: Synthesis, Characterization, and PNA Oligomerization of the Fluorescent Cytosine Analogue 5,6-BenzopC.","The Journal of organic chemistry","2014","79","8","3336","3347","10.1021/jo402873e","","","0.71073","MoKα","","0.0728","0.0395","","","0.0839","0.0926","","","","","","1.036","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029277","6.1224","0.0011","12.237","0.002","16.495","0.003","90","","99.471","0.004","90","","1219","0.4","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O6 -","- C30 H27 N O6 -","- C60 H54 N2 O12 -","2","1","","Chaplin, Jason H; Jackson, Kristal; White, Jonathan M; Flynn, Bernard L","Convergent Access to Polycyclic Cyclopentanoids from α,β-Unsaturated Acid Chlorides and Alkynes through a Reductive Coupling, Nazarov Cyclization Sequence.","The Journal of organic chemistry","2014","79","8","3659","3664","10.1021/jo500040b","","","0.71073","MoKα","","0.0411","0.0385","","","0.0958","0.0976","","","","","","1.018","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029278","7.3446","0.0011","10.3043","0.0016","9.2757","0.0014","90","","101.418","0.003","90","","688.1","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C30 H28 N8 O2 -","2","1","","Xiong, Yang; Zhang, Xuxue; Huang, Tao; Cao, Song","Synthesis of N-(α-Fluorovinyl)azoles by the Reaction of Difluoroalkenes with Azoles.","The Journal of organic chemistry","2014","79","14","6395","6402","10.1021/jo5005845","","","0.71073","MoKα","","0.0945","0.0738","","","0.2354","0.3327","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029279","9.44","0.009","9.863","0.01","11.214","0.011","90","","90","","90","","1044.1","1.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Taber, Douglass F; Paquette, Craig M","Synthesis of the pentacylic core of (+)-salvileucalin B.","The Journal of organic chemistry","2014","79","8","3410","3413","10.1021/jo500164x","","","0.71073","MoKα","","0.1668","0.1657","","","0.3563","0.3581","","","","","","3.162","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029280","9.144","0.0005","10.9927","0.0007","9.6418","0.0007","90","","103.148","0.004","90","","943.76","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","1","","Selim, Khalid B; Martel, Arnaud; Laurent, Mathieu Y; Lhoste, Jérôme; Py, Sandrine; Dujardin, Gilles","Enantioselective Ruthenium-Catalyzed 1,3-Dipolar Cycloadditions between C-Carboalkoxy Ketonitrones and Methacrolein: Solvent Effect on Reaction Selectivity and Its Rational.","The Journal of organic chemistry","2014","79","8","3414","3426","10.1021/jo5001737","","","0.71073","MoKα","","0.1012","0.0517","","","0.1026","0.1189","","","","","","1.011","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029281","19.986","0.004","19.986","0.004","8.8105","0.0018","90","","90","","120","","3047.8","1.1","173","2","173","2","","","","","","","","3","P 63","P 6c","173","","","","- C69 H57 N15 -","- C69 H57 N15 -","- C138 H114 N30 -","2","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1435","0.1284","","","0.3281","0.3369","","","","","","2.032","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029282","15.319","0.002","15.319","0.002","44.673","0.009","90","","90","","120","","9079","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C150 H90 N30 -","- C150 H90 N30 -","- C450 H270 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0657","0.0588","","","0.1366","0.1413","","","","","","1.155","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029283","11.366","0.002","15.991","0.003","9.664","0.0019","90","","110.578","0.003","90","","1644.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N6 -","- C42 H42 N6 -","- C84 H84 N12 -","2","0.5","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0716","0.0595","","","0.1167","0.1235","","","","","","1.116","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029284","20.221","0.003","20.221","0.003","38.779","0.008","90","","90","","120","","13732","4","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C159 H42 N9 -","- C159 H42 N9 -","- C954 H252 N54 -","6","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1448","0.1278","","","0.3207","0.3398","","","","","","1.884","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029285","10.491","0.003","15.082","0.003","15.571","0.005","62.847","0.011","89.307","0.018","77.513","0.016","2129.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H45 N15 -","- C45 H45 N15 -","- C90 H90 N30 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1066","0.0848","","","0.1866","0.1992","","","","","","1.114","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029286","15.098","0.003","15.098","0.003","94.97","0.02","90","","90","","120","","18748","7","173.15","","173.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C59 H45 Cl8 N18 -","- C59 H45 Cl8 N18 -","- C708 H540 Cl96 N216 -","12","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1313","0.1234","","","0.3122","0.3188","","","","","","1.177","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4029287","7.6467","0.0015","24.339","0.007","17.615","0.003","90","","94.85","0.03","90","","3266.6","1.3","173","2","173","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C39 H39 N9 -","- C39 H39 N9 -","- C156 H156 N36 -","4","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0892","0.084","","","0.2186","0.2235","","","","","","1.124","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029288","21.571","0.003","21.571","0.003","27.87","0.006","90","","90","","120","","11231","3","173","2","173","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C141 H57 N15 -","- C141 H57 N15 -","- C564 H228 N60 -","4","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1433","0.1162","","","0.2891","0.3017","","","","","","1.675","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029289","15.391","0.003","18.883","0.004","23.094","0.005","77.42","0.03","87.51","0.03","86.78","0.03","6537","2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C160 H90 N30 -","- C160 H90 N30 -","- C320 H180 N60 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1729","0.1401","","","0.3374","0.3578","","","","","","1.661","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029290","10.778","0.002","12.792","0.003","13.514","0.003","102.94","0.03","111.17","0.03","105.89","0.03","1559.1","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 N12 -","- C36 H36 N12 -","- C72 H72 N24 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0574","0.0519","","","0.1344","0.1388","","","","","","1.091","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029291","11.0322","0.0008","16.8447","0.001","19.9205","0.0013","90","","105.315","0.003","90","","3570.4","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N18 -","- C36 H42 N18 -","- C144 H168 N72 -","4","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0729","0.0677","","","0.1511","0.154","","","","","","1.261","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029292","15.21","0.002","15.21","0.002","44.815","0.009","90","","90","","120","","8979","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C138 H78 N30 -","- C138 H78 N30 -","- C414 H234 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1052","0.1031","","","0.2581","0.2595","","","","","","1.135","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029293","12.655","0.003","10.193","0.003","8.544","0.002","90","","102.529","0.006","90","","1075.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H19 O2 -","- C11 H19 O2 -","- C44 H76 O8 -","4","1","","Zhu, Jia-Liang; Wu, Sih-Ting; Shie, Jr-Yun","Access to Functionalized Bicyclo[4,3,0]nonenes via Palladium-Catalyzed Oxidative Cyclization of 2-Allylcyclohexyl Oximes.","The Journal of organic chemistry","2014","79","8","3623","3633","10.1021/jo5005422","","","0.71073","MoKα","","0.0571","0.0507","","","0.1379","0.1459","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029294","10.368","0.005","10.478","0.005","21.015","0.01","88.133","0.005","89.305","0.005","80.119","0.005","2247.9","1.9","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si2 -","- C19 H33 N O2 S Si2 -","- C76 H132 N4 O8 S4 Si8 -","4","4","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","0.71073","MoKα","","0.0567","0.0541","","","0.1392","0.1419","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029295","10.545","0.005","9.535","0.004","10.077","0.004","90","","115.62","0.03","90","","913.6","0.7","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 S Si -","- C17 H23 N O2 S Si -","- C34 H46 N2 O4 S2 Si2 -","2","1","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","1.54178","CuKα","","0.0478","0.0449","","","0.124","0.1269","","","","","","1.032","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029296","7.844","0.011","11.183","0.015","12.865","0.019","85.56","0.05","85.01","0.04","80.27","0.03","1106","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C46 H40 Cl2 F6 N4 O8 -","2","1","","Yang, Li-Jun; Li, Shen; Wang, Shuai; Nie, Jing; Ma, Jun-An","Nucleophilic lewis base dependent addition reactions of allenoates with trifluoromethylated cyclic ketimines.","The Journal of organic chemistry","2014","79","8","3547","3558","10.1021/jo500356t","","","0.71073","MoKα","","0.0949","0.0801","","","0.2778","0.2895","","","","","","1.149","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029297","10.062","0.009","12.589","0.011","18.91","0.017","90","","101.187","0.008","90","","2350","4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C92 H80 Cl4 F12 N8 O16 -","4","1","","Yang, Li-Jun; Li, Shen; Wang, Shuai; Nie, Jing; Ma, Jun-An","Nucleophilic lewis base dependent addition reactions of allenoates with trifluoromethylated cyclic ketimines.","The Journal of organic chemistry","2014","79","8","3547","3558","10.1021/jo500356t","","","0.71073","MoKα","","0.0923","0.0582","","","0.145","0.1693","","","","","","1.022","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029298","8.7212","0.0014","9.3821","0.0013","11.148","0.002","90","","90","","90","","912.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","","Thalluri, Kishore; Manne, Srinivasa Rao; Dev, Dharm; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(4-nitrophenylsulfonyloxyimino)acetate-Mediated Lossen Rearrangement: Single-Pot Racemization-Free Synthesis of Hydroxamic Acids and Ureas from Carboxylic Acids.","The Journal of organic chemistry","2014","79","9","3765","3775","10.1021/jo4026429","","","0.71073","MoKα","","0.1259","0.0836","","","0.2139","0.249","","","","","","0.979","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029299","9.046","0.0008","11.3528","0.0009","30.038","0.002","90","","98.656","0.003","90","","3049.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O9 -","- C34 H30 N2 O9 -","- C136 H120 N8 O36 -","4","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.2407","0.1671","","","0.3227","0.3552","","","","","","1.194","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029300","10.2438","0.0011","13.8664","0.0015","14.1071","0.0015","105.457","0.003","108.034","0.003","98.027","0.004","1781.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O9 -","- C38 H38 N2 O9 -","- C76 H76 N4 O18 -","2","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.1462","0.0654","","","0.139","0.1614","","","","","","0.979","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029301","11.2385","0.0018","11.278","0.0019","11.737","0.002","113.393","0.005","92.165","0.005","102.263","0.004","1321.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O10 -","- C27 H24 N2 O10 -","- C54 H48 N4 O20 -","2","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.137","0.1036","","","0.2954","0.3116","","","","","","1.046","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029302","12.536","0.003","6.7909","0.0012","18.646","0.004","90","","90","","90","","1587.3","0.6","173","","173","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H9 Cl F5 N S Se -","- C15 H9 Cl F5 N S Se -","- C60 H36 Cl4 F20 N4 S4 Se4 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.059","","","","0.1102","","","","","","1.139","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029303","6.761","0.005","12.748","0.008","18.642","0.012","90","","90","","90","","1606.7","1.9","125","","125","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 F5 N2 O2 S Se -","- C15 H9 F5 N2 O2 S Se -","- C60 H36 F20 N8 O8 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0544","","","","0.1681","","","","","","0.95","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029304","12.075","0.01","9.345","0.007","16.111","0.013","90","","106.76","0.03","90","","1741","2","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F5 N O2 S2 -","- C17 H14 F5 N O2 S2 -","- C68 H56 F20 N4 O8 S8 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.1192","","","","0.3828","","","","","","1.213","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029305","35.77","0.05","6.207","0.008","15.93","0.03","90","","107.028","0.014","90","","3382","9","125","","125","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F5 N O S Se -","- C16 H12 F5 N O S Se -","- C128 H96 F40 N8 O8 S8 Se8 -","8","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0714","","","","0.229","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029306","7.911","0.011","10.425","0.015","11.609","0.017","109.181","0.003","109.088","0.012","100.49","0.013","808","2","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 F5 N2 O2 S Se -","- C15 H9 F5 N2 O2 S Se -","- C30 H18 F10 N4 O4 S2 Se2 -","2","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0599","","","","0.1479","","","","","","0.944","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029307","9.65","0.004","12.717","0.006","15.93","0.007","77.557","0.013","75.918","0.011","77.43","0.014","1823.2","1.4","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 F5 N O2 S Se -","- C17 H14 F5 N O2 S Se -","- C68 H56 F20 N4 O8 S4 Se4 -","4","2","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0553","","","","0.1658","","","","","","1.048","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029308","7.789","0.009","33.34","0.04","6.278","0.008","90","","90","","90","","1630","3","125","","125","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 F5 N S Se -","- C16 H12 F5 N S Se -","- C64 H48 F20 N4 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0629","","","","0.1899","","","","","","0.946","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029309","9.0021","0.001","14.9816","0.0018","16.5464","0.0019","90","","90","","90","","2231.5","0.4","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O3 S -","- C21 H32 N2 O3 S -","- C84 H128 N8 O12 S4 -","4","1","","Bosque, Irene; Gonzalez-Gomez, Jose C; Loza, María Isabel; Brea, José","Natural Tetraponerines: A General Synthesis and Antiproliferative Activity.","The Journal of organic chemistry","2014","79","9","3982","3991","10.1021/jo500446f","","","0.71073","MoKα","","0.0488","0.0367","","","0.0898","0.0977","","","","","","1.021","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029310","9.9316","0.0004","13.506","0.0006","14.3545","0.0006","106.446","0.001","105.813","0.001","103.488","0.001","1673.27","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 Cl N2 O9 S -","- C34 H31 Cl N2 O9 S -","- C68 H62 Cl2 N4 O18 S2 -","2","1","","Qiu, Lin; Gao, Lixin; Tang, Jixing; Wang, Dongwei; Guo, Xin; Liu, Shunying; Yang, Liping; Li, Jia; Hu, Wenhao","Regio- and Diastereoselective Construction of α-Hydroxy-δ-amino Ester Derivatives via 1,4-Conjugate Addition of β,γ-Unsaturated N-Sulfonylimines.","The Journal of organic chemistry","2014","79","9","4142","4147","10.1021/jo500176g","","","0.71073","MoKα","","0.0678","0.0424","","","0.1039","0.1162","","","","","","0.972","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029311","14.8608","0.0005","7.7619","0.0003","17.4366","0.0006","90","","106.782","0.001","90","","1925.62","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl2 N2 O2 -","- C22 H18 Cl2 N2 O2 -","- C88 H72 Cl8 N8 O8 -","4","1","","Wang, Chengjin; Xing, Dong; Wang, Dongwei; Wu, Xiang; Hu, Wenhao","Synthesis of 3-Amino-3-hydroxymethyloxindoles and 3-Hydroxy-3-hydroxymethyloxindoles by Rh2(OAc)4-Catalyzed Three-Component Reactions of 3-Diazooxindoles with Formaldehyde and Anilines or Water.","The Journal of organic chemistry","2014","79","9","3908","3916","10.1021/jo500307n","","","0.71073","MoKα","","0.0622","0.0458","","","0.1269","0.1416","","","","","","1.061","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029312","12.3796","0.0015","10.5493","0.0015","11.3168","0.0013","90","","106.991","0.008","90","","1413.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Ghosh, Priya; Saha, Pipas; Bondalapati, Somasekhar; Indukuri, Kiran; Saikia, Anil K.","Lewis Acid Mediated Intramolecular C-C Bond Formation of Alkyne-Epoxide Leading to Six-Membered Nitrogen and Oxygen Heterocycles.","The Journal of organic chemistry","2014","79","9","4119","4124","10.1021/jo402550e","","","0.71073","MoKα","","0.0752","0.0448","","","0.1138","0.1295","","","","","","1.008","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029313","5.587","0.002","18.446","0.007","17.936","0.007","90","","97.283","0.008","90","","1833.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(3-Phenyl-3-oxoprop-1-ynyl)-N-phenyl-4-tolylsulfonamide","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Zhang, Peng; Cook, Andrea M.; Liu, Yang; Wolf, Christian","Copper(I)-Catalyzed Nucleophilic Addition of Ynamides to Acyl Chlorides and Activated N-Heterocycles.","The Journal of organic chemistry","2014","79","9","4167","4173","10.1021/jo500365h","","","0.71073","MoKα","","0.0428","0.0369","","","0.097","0.1015","","","","","","0.995","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029314","12.8822","0.0017","9.5928","0.0013","22.444","0.003","90","","103.587","0.002","90","","2695.9","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C96 H112 N16 O56 -","8","4","","Pandey, Anil K.; Yap, Glenn P. A.; Zondlo, Neal J.","(2S,4R)-4-Hydroxyproline(4-nitrobenzoate): Strong Induction of Stereoelectronic Effects via a Readily Synthesized Proline Derivative. Crystallographic Observation of a Correlation between Torsion Angle and Bond Length in a Hyperconjugative Interaction.","The Journal of organic chemistry","2014","79","9","4174","4179","10.1021/jo500367d","","","0.71073","MoKα","","0.0712","0.0437","","","0.0906","0.1039","","","","","","1.011","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029315","12.221","0.002","6.0654","0.0011","13.752","0.002","90","","96.378","0.003","90","","1013.1","0.3","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H27 F2 N O6 S -","- C14 H27 F2 N O6 S -","- C28 H54 F4 N2 O12 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","x-ray","0.71073","MoKα","","0.0524","0.0497","","","0.136","0.1397","","","","","","1.078","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029316","5.742","0.004","17.689","0.011","6.193","0.004","90","","100.655","0.014","90","","618.2","0.7","100","2","100","2","","","","","","","Clement Fontenelle","6","P 1 21 1","P 2yb","4","","","","- C9 H17 F2 N O3 S -","- C9 H17 F2 N O3 S -","- C18 H34 F4 N2 O6 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0246","0.0244","","","0.0659","0.0662","","","","","","1.032","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029317","8.329","0.006","9.292","0.007","23.43","0.016","90","","90","","90","","1813","2","100","2","100","2","","","","","","","Clement Fontenelle","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F2 N O5 S -","- C14 H25 F2 N O5 S -","- C56 H100 F8 N4 O20 S4 -","4","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0632","0.0555","","","0.123","0.1299","","","","","","1.096","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029318","6.494","0.0003","10.683","0.0005","19.0024","0.001","91.402","0.004","91.845","0.004","102.929","0.004","1283.53","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 N4 Pd -","- C33 H32 N4 Pd -","- C66 H64 N8 Pd2 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0926","0.0465","","","","0.0966","","","","","","0.959","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029319","8.1266","0.0004","10.9322","0.0006","14.5533","0.0008","105.58","0.004","91.632","0.004","97.148","0.004","1233.16","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 O2 Pd -","- C30 H30 N4 O2 Pd -","- C60 H60 N8 O4 Pd2 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0793","0.0481","","","","0.1212","","","","","","1.017","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029320","8.1062","0.0002","10.8971","0.0003","28.0896","0.0008","83.679","0.002","85.737","0.002","82.79","0.002","2442.07","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 Ni O2 -","- C30 H30 N4 Ni O2 -","- C120 H120 N16 Ni4 O8 -","4","2","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0781","0.0407","","","","0.1008","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029321","10.6439","0.0003","11.4507","0.0003","12.7871","0.0004","88.093","0.002","67.922","0.001","64.645","0.002","1289.84","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H34 N4 -","- C33 H34 N4 -","- C66 H68 N8 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0783","0.0459","","","","0.1292","","","","","","1.015","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029322","8.3186","0.0007","12.4731","0.001","19.1532","0.0016","90","","90","","90","","1987.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.0367","0.0356","","","0.1041","0.1055","","","","","","1.103","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029323","9.6247","0.0004","11.6485","0.0005","13.7072","0.0005","90","","90","","90","","1536.76","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.056","0.0441","","","0.112","0.1197","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029328","16.9949","0.0018","21.083","0.002","7.3381","0.0008","90","","90","","90","","2629.3","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0695","0.0476","","","0.1242","0.1373","","","","","","1.056","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029329","15.191","0.002","7.0358","0.001","16.337","0.002","90","","115.321","0.003","90","","1578.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0626","0.053","","","0.1383","0.1477","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029330","23.655","0.003","9.7505","0.001","15.4692","0.0016","90","","126.057","0.002","90","","2884.4","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0503","0.0414","","","0.1125","0.1195","","","","","","1.058","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029331","8.078","0.003","12.824","0.003","13.714","0.004","113.32","0.02","98.37","0.02","95.61","0.03","1271.7","0.7","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H24 N2 -","- C39 H24 N2 -","- C78 H48 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.0726","0.045","","","0.0854","0.0937","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029332","9.635","0.0016","10.0387","0.0016","12.277","0.0019","83.666","0.008","88.781","0.009","89.717","0.008","1179.9","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 N2 -","- C35 H22 N2 -","- C70 H44 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.07","0.0446","","","0.0847","0.0941","","","","","","1.032","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029333","12.4433","0.0019","14.26","0.002","15.249","0.002","68.103","0.009","67.336","0.011","70.436","0.009","2258.3","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C124 H96 N8 O4 -","4","2","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.1189","0.063","","","0.1135","0.1443","","","","","","1.037","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029334","9.114","0.003","9.534","0.003","11.901","0.003","96.66","0.02","99.74","0.03","93.8","0.02","1008.4","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C60 H40 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.0575","0.0423","","","0.1349","0.141","","","","","","1.017","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029335","10.976","0.004","9.914","0.004","15.781","0.006","90","","103.62","0.005","90","","1668.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Sun, Jinwei; Wang, Fuyao; Hu, Huayou; Wang, Xiangshan; Wu, Hui; Liu, Yun","Copper(II)-Catalyzed Carbon-Carbon Triple Bond Cleavage of Internal Alkynes for the Synthesis of Annulated Indolizines.","The Journal of organic chemistry","2014","79","9","3992","3998","10.1021/jo500456d","","","0.71073","MoKα","","0.1301","0.067","","","0.1772","0.2202","","","","","","0.992","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029336","5.817","0.0002","34.7466","0.001","9.9049","0.0003","90","","101.37","0.001","90","","1962.7","0.11","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O3 S -","- C23 H19 N3 O3 S -","- C92 H76 N12 O12 S4 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Porro, Rocío","Stepwise Formation of 1,3-Diazolium-4-thiolates by Münchnone Cycloadditions: Promising Candidates for Nonlinear Optics.","The Journal of organic chemistry","2014","79","9","4201","4205","10.1021/jo500349g","","","0.71073","MoKα","","0.0602","0.0404","","","0.108","0.121","","","","","","0.989","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029337","12.2636","0.0001","9.7059","0.0001","18.4895","0.0002","90","","101.565","0.001","90","","2156.11","0.04","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O4 S -","- C24 H21 N3 O4 S -","- C96 H84 N12 O16 S4 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Porro, Rocío","Stepwise Formation of 1,3-Diazolium-4-thiolates by Münchnone Cycloadditions: Promising Candidates for Nonlinear Optics.","The Journal of organic chemistry","2014","79","9","4201","4205","10.1021/jo500349g","","","0.71073","MoKα","","0.0446","0.0381","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029338","9.8381","0.0008","10.4824","0.0009","12.5322","0.0011","74.656","0.001","74.429","0.001","71.299","0.001","1156.45","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0911","0.0455","","","0.0994","0.1196","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029339","9.3468","0.0004","14.5715","0.0006","16.6456","0.0006","90","","105.26","0.001","90","","2187.15","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 N2 O2 -","- C26 H20 Br2 N2 O2 -","- C104 H80 Br8 N8 O8 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0294","0.0236","","","0.0561","0.0581","","","","","","1.019","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029340","8.6359","0.0003","12.0457","0.0005","19.5543","0.0008","90","","90","","90","","2034.15","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0427","0.0381","","","0.0992","0.1034","","","","","","1.036","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029341","10.8929","0.0006","8.6496","0.0005","21.3698","0.0013","90","","95.896","0.001","90","","2002.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C112 H76 N4 O8 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0575","0.0394","","","0.0947","0.105","","","","","","1.029","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029342","9.765","0.0004","11.9476","0.0005","12.3011","0.0005","113.172","0.001","101.293","0.001","106.109","0.001","1189.59","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C64 H48 N4 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0463","0.0396","","","0.1018","0.1076","","","","","","1.03","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029343","8.502","0.0003","11.6522","0.0004","17.4372","0.0006","104.952","0.001","92.109","0.001","98.182","0.001","1647.09","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H33 N3 O2 -","- C44 H33 N3 O2 -","- C88 H66 N6 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0456","0.0393","","","0.1005","0.1058","","","","","","1.034","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029344","8.7939","0.0004","9.6279","0.0004","12.566","0.0006","76.008","0.001","78.669","0.001","85.631","0.001","1011.77","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0458","0.0394","","","0.102","0.1082","","","","","","1.04","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029345","10.0356","0.0004","12.8316","0.0005","16.3402","0.0007","80.535","0.001","80.757","0.001","74.556","0.001","1985.42","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","2","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.052","0.0398","","","0.0985","0.1077","","","","","","1.018","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029346","8.1852","0.0004","8.4437","0.0004","16.921","0.0009","97.887","0.001","93.333","0.001","111.291","0.001","1071.93","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N O4 -","- C28 H19 N O4 -","- C56 H38 N2 O8 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0479","0.0375","","","0.0929","0.1005","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029347","20.109","0.002","12.9225","0.0009","12.0941","0.0008","90","","90","","90","","3142.8","0.4","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C38 H30 N6 -","- C38 H30 N6 -","- C152 H120 N24 -","4","1","","Jiang, Bo; Ning, Yi; Fan, Wei; Tu, Shu-Jiang; Li, Guigen","Oxidative Dehydrogenative Couplings of Pyrazol-5-amines Selectively Forming Azopyrroles.","The Journal of organic chemistry","2014","79","9","4018","4024","10.1021/jo5004967","","","0.71073","MoKα","","0.1518","0.0579","","","0.125","0.1896","","","","","","1.074","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029348","8.4458","0.0004","10.7913","0.0005","11.4138","0.0006","90","","91.973","0.001","90","","1039.65","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 I2 N6 -","- C20 H16 I2 N6 -","- C40 H32 I4 N12 -","2","0.5","","Jiang, Bo; Ning, Yi; Fan, Wei; Tu, Shu-Jiang; Li, Guigen","Oxidative Dehydrogenative Couplings of Pyrazol-5-amines Selectively Forming Azopyrroles.","The Journal of organic chemistry","2014","79","9","4018","4024","10.1021/jo5004967","","","0.71073","MoKα","","0.033","0.0291","","","0.0708","0.074","","","","","","1.088","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029349","13.9947","0.0011","5.8914","0.0004","15.0886","0.0011","90","","97.064","0.005","90","","1234.59","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O6 S -","- C26 H24 Cl N O6 S -","- C52 H48 Cl2 N2 O12 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0676","0.0446","","","0.0815","0.0886","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029350","5.7422","0.0007","10.5827","0.0011","28.156","0.003","90","","90","","90","","1711","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.1205","0.1046","","","0.2495","0.2534","","","","","","2.045","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029351","10.069","0.005","5.823","0.003","17.107","0.008","90","","106.319","0.017","90","","962.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N O4 S -","- C18 H18 Cl N O4 S -","- C36 H36 Cl2 N2 O8 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0665","0.0425","","","0.072","0.0775","","","","","","1.179","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029352","7.7315","0.0006","14.3537","0.0011","26.576","0.002","90","","90","","90","","2949.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C120 H136 Br8 N16 O24 -","8","2","","Boucherif, Amina; Yang, Qing-Qing; Wang, Qiang; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantio- and Diastereoselective Synthesis of Spiro-epoxyoxindoles.","The Journal of organic chemistry","2014","79","9","3924","3929","10.1021/jo5003856","","","0.71073","MoKα","","0.0387","0.031","","","0.0642","0.0764","","","","","","0.991","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029353","3.8592","0.0003","8.4044","0.0011","12.5408","0.0016","87.517","0.01","85.342","0.009","81.578","0.009","400.83","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N4 S -","- C7 H6 N4 S -","- C14 H12 N8 S2 -","2","1","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.0604","0.0508","","","0.1362","0.1434","","","","","","0.903","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029354","34.721","0.005","4.0036","0.0005","14.975","0.002","90","","100.148","0.013","90","","2049.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 N8 S5 -","- C14 H12 Cl2 N8 S5 -","- C56 H48 Cl8 N32 S20 -","4","0.5","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.0764","0.0623","","","0.1725","0.1812","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029355","10.449","0.0004","12.6255","0.0008","21.3511","0.0009","97.143","0.004","92.352","0.003","93.441","0.004","2786.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl3 N9 S5 -","- C16 H14 Cl3 N9 S5 -","- C64 H56 Cl12 N36 S20 -","4","2","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.124","0.0824","","","0.2259","0.2523","","","","","","1","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029356","10.4838","0.0012","14.518","0.002","15.9147","0.0018","79.164","0.011","73.907","0.01","71.712","0.011","2196.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C120 H80 N8 O4 -","4","2","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.1454","0.0597","","","0.0999","0.1321","","","","","","0.961","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029357","13.1006","0.0016","14.6841","0.0017","8.7923","0.0008","90","","100.348","0.009","90","","1663.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.0782","0.0464","","","0.1039","0.1201","","","","","","1.013","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029358","7.4501","0.0015","8.7551","0.0018","14.931","0.003","95.2","0.03","98.89","0.03","103.19","0.03","928.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C50 H36 N4 O2 -","2","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.0578","0.0494","","","0.1362","0.1434","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029359","9.5537","0.0015","16.927","0.003","15.612","0.003","90","","105.52","0.003","90","","2432.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N3 O3 -","- C31 H21 N3 O3 -","- C124 H84 N12 O12 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.1581","0.0736","","","0.1892","0.2303","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029360","7.8508","0.0002","15.8682","0.0004","18.2984","0.0004","90","","90","","90","","2279.58","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Cl N2 O Ru -","- C26 H25 Cl N2 O Ru -","- C104 H100 Cl4 N8 O4 Ru4 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","1.54184","CuKα","","0.0351","0.034","","","0.0905","0.0915","","","","","","1.039","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029361","9.561","0.004","10.152","0.004","21.593","0.009","90","","96.807","0.009","90","","2081.1","1.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C72 H128 N16 O24 -","8","2","","Zhou, Jing; Yeung, Ying-Yeung","Synthesis of Reboxetine Intermediate and Carnitine Acetyltransferase Inhibitor via NBS-Induced Electrophilic Multicomponent Reaction.","The Journal of organic chemistry","2014","79","10","4644","4649","10.1021/jo500609a","","","0.71073","MoKα","","0.0944","0.0594","","","0.1359","0.1515","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029362","7.3876","0.0011","9.7133","0.0014","10.4673","0.0015","103.383","0.003","104.427","0.003","104.585","0.003","668.4","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 Cl N2 O5 S -","- C11 H13 Cl N2 O5 S -","- C22 H26 Cl2 N4 O10 S2 -","2","1","","Zhou, Jing; Yeung, Ying-Yeung","Synthesis of Reboxetine Intermediate and Carnitine Acetyltransferase Inhibitor via NBS-Induced Electrophilic Multicomponent Reaction.","The Journal of organic chemistry","2014","79","10","4644","4649","10.1021/jo500609a","","","0.71073","MoKα","","0.0522","0.0482","","","0.1188","0.1214","","","","","","1.091","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029363","9.038","0.003","12.131","0.005","9.119","0.004","90","","113.364","0.006","90","","917.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl N3 O -","- C22 H16 Cl N3 O -","- C44 H32 Cl2 N6 O2 -","2","1","","Wang, Ying-Chun; Xie, Yu-Yang; Qu, Hong-En; Wang, Heng-Shan; Pan, Ying-Ming; Huang, Fu-Ping","Ce(OTf)3-Catalyzed [3 + 2] Cycloaddition of Azides with Nitroolefins: Regioselective Synthesis of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2014","79","10","4463","4469","10.1021/jo5004339","","","0.71073","MoKα","","0.0716","0.0694","","","0.2078","0.2093","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029364","26.329","0.007","10.877","0.003","18.902","0.005","90","","102.757","0.004","90","","5280","2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C240 H208 N48 O16 -","16","4","","Wang, Ying-Chun; Xie, Yu-Yang; Qu, Hong-En; Wang, Heng-Shan; Pan, Ying-Ming; Huang, Fu-Ping","Ce(OTf)3-Catalyzed [3 + 2] Cycloaddition of Azides with Nitroolefins: Regioselective Synthesis of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2014","79","10","4463","4469","10.1021/jo5004339","","","0.71073","MoKα","","0.1978","0.1354","","","0.3338","0.3702","","","","","","1.193","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4029365","21.423","0.0006","9.312","0.0003","25.48","0.0009","90","","101.743","0.0011","90","","4976.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H57 D6 N7 O9.5 -","- C51.5 H57 D6 N7 O9.5 -","- C206 H228 D24 N28 O38 -","4","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.1408","0.0733","","","0.1741","0.2192","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029366","9.6099","0.0004","14.0444","0.0006","14.4849","0.0005","90","","98.63","0.003","90","","1932.82","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 N8 O10 -","- C30 H58 N8 O10 -","- C60 H116 N16 O20 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0408","0.038","","","0.1021","0.1039","","","","","","1.065","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029367","8.939","0.0002","15.0463","0.0003","64.8154","0.0011","90","","90","","90","","8717.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 N8 O11 -","- C36 H60 N8 O11 -","- C288 H480 N64 O88 -","8","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0608","0.0566","","","0.146","0.149","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029368","16.7586","0.0003","11.7537","0.0002","17.0863","0.0003","90","","94.951","0.001","90","","3353.03","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H49 N7 O9 -","- C26 H48 N7 O9 -","- C104 H192 N28 O36 -","4","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.061","0.0522","","","0.1409","0.147","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029369","8.186","0.003","18.89","0.006","22.446","0.007","90","","90","","90","","3471","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 N6 O7 -","- C32 H50 N6 O7 -","- C128 H200 N24 O28 -","4","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0983","0.0889","","","0.1939","0.1986","","","","","","1.198","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029370","11.5859","0.0005","9.585","0.0004","16.5938","0.0008","90","","108.615","0.002","90","","1746.35","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H52 N8 O8 -","- C27 H52 N8 O8 -","- C54 H104 N16 O16 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0476","0.0447","","","0.1186","0.1204","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029371","11.357","0.002","16.271","0.003","18.895","0.004","80.846","0.004","87.004","0.004","89.866","0.004","3442.4","1.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H46 N6 O7 -","- C33 H46 N6 O7 -","- C132 H184 N24 O28 -","4","4","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0952","0.0513","","","0.0967","0.1082","","","","","","0.872","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029372","10.3831","0.0006","13.0198","0.0005","13.2997","0.0006","81.765","0.003","78.203","0.004","70.812","0.004","1656.55","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H26 N2 S2 -","- C46 H26 N2 S2 -","- C92 H52 N4 S4 -","2","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0585","0.0467","","","0.1391","0.1528","","","","","","1.046","","","","has coordinates,has disorder","205842","2020-10-21","18:00:00",""
"4029373","26.9975","0.0006","14.9487","0.0003","16.8201","0.0004","90","","99.47","0.002","90","","6695.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 N4 -","- C48 H28 N4 -","- C384 H224 N32 -","8","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0546","0.0428","","","0.1146","0.128","","","","","","1.028","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029374","10.9885","0.0004","11.6518","0.0004","15.3264","0.0006","85.393","0.003","89.268","0.003","73.761","0.003","1877.85","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H32 Cl2 N2 -","- C51 H32 Cl2 N2 -","- C102 H64 Cl4 N4 -","2","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0912","0.0798","","","0.2375","0.2585","","","","","","1.037","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4029375","7.1652","0.0003","12.6049","0.0005","16.4098","0.0008","90","","90","","90","","1482.08","0.11","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O3 -","- C17 H14 Cl N O3 -","- C68 H56 Cl4 N4 O12 -","4","1","","Wu, Xiang; Li, Ming-Li; Chen, Dian-Feng; Chen, Shu-Sen","Enantioselective construction of [6,5,6]-carbocyclic systems by organo/metal-catalyzed sequential reactions.","The Journal of organic chemistry","2014","79","10","4743","4750","10.1021/jo5006729","","","0.71073","MoKα","","0.0372","0.0336","","","0.0795","0.0821","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029376","19.234","0.002","5.6695","0.0007","10.7313","0.0013","90","","90","","90","","1170.2","0.2","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Shimizu, Tomoaki; Koya, Shunsuke; Yamasaki, Ryu; Mutoh, Yuichiro; Azumaya, Isao; Katagiri, Kosuke; Saito, Shinichi","Acid-Mediated Ring-Expansion Reaction of N-Aryl-2-vinylazetidines: Synthesis and Unanticipated Reactivity of Tetrahydrobenzazocines.","The Journal of organic chemistry","2014","79","10","4367","4377","10.1021/jo500249c","","","0.71073","MoKα","","0.0291","0.0277","","","0.0692","0.0703","","","","","","1.058","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029377","11.401","0.003","12","0.003","8.479","0.002","90","","92.305","0.002","90","","1159.1","0.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Shimizu, Tomoaki; Koya, Shunsuke; Yamasaki, Ryu; Mutoh, Yuichiro; Azumaya, Isao; Katagiri, Kosuke; Saito, Shinichi","Acid-Mediated Ring-Expansion Reaction of N-Aryl-2-vinylazetidines: Synthesis and Unanticipated Reactivity of Tetrahydrobenzazocines.","The Journal of organic chemistry","2014","79","10","4367","4377","10.1021/jo500249c","","","0.71073","MoKα","","0.0806","0.0753","","","0.2139","0.2236","","","","","","1.055","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029378","5.7246","0.001","10.9332","0.0018","16.289","0.003","77.753","0.004","86.78","0.004","80.766","0.004","983.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","1","","Wang, Meining; Zhang, Chi; Sun, Li-Ping; Ding, Chunyong; Zhang, Ao","Naphthoquinone-directed C-h annulation and csp(3)-h bond cleavage: one-pot synthesis of tetracyclic naphthoxazoles.","The Journal of organic chemistry","2014","79","10","4553","4560","10.1021/jo500572u","","","0.71073","MoKα","","0.0884","0.0548","","","0.1593","0.1787","","","","","","1.089","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029379","12.7758","0.0006","12.4749","0.0006","24.7006","0.0011","90","","96.782","0.001","90","","3909.2","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Br2 Cl4 N4 O4 -","- C32 H26 Br2 Cl4 N4 O4 -","- C128 H104 Br8 Cl16 N16 O16 -","4","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.0957","0.0577","","","0.1409","0.1544","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029380","10.5303","0.0008","11.5381","0.0009","18.5812","0.0015","86.903","0.001","74.816","0.001","77.042","0.001","2123.3","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl8 N4 O4 S2 -","- C42 H36 Cl8 N4 O4 S2 -","- C84 H72 Cl16 N8 O8 S4 -","2","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.0964","0.0648","","","0.181","0.1978","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029381","11.149","0.0004","32.7727","0.0013","11.5886","0.0005","90","","98.527","0.001","90","","4187.5","0.3","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Cl7 N4 O4 S2 -","- C41 H33 Cl7 N4 O4 S2 -","- C164 H132 Cl28 N16 O16 S8 -","4","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.119","0.0781","","","0.2076","0.2373","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029382","9.14","0.004","11.564","0.005","11.837","0.003","81.82","0.03","89.37","0.02","73.3","0.03","1185.6","0.8","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H26 O -","- C34 H26 O -","- C68 H52 O2 -","2","1","","Guo, Biao; Zheng, Liyao; Yang, Lichen; Hua, Ruimao","Synthesis of Chrysene Derivatives via Copper-Catalyzed One-Pot Dimerization of 2-Alkynyl-1-acetylbenzenes.","The Journal of organic chemistry","2014","79","10","4352","4357","10.1021/jo500182k","","","0.71073","MoKα","","0.1297","0.079","","","0.1606","0.1765","","","","","","1.438","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029383","5.6805","0.0004","10.0159","0.0006","15.1868","0.0009","91.566","0.004","97.711","0.003","96.58","0.003","849.8","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Chen, Jian-Ming; Chang, Chin-Jung; Ke, Yao-Jin; Liu, Rai-Shung","Catalytic Formal [4 + 2] Cycloadditions between Unactivated Allenes and N-Hydroxyaniline Catalyzed by AuCl3/CuCl2/O2.","The Journal of organic chemistry","2014","79","10","4306","4311","10.1021/jo500009x","","","0.71073","MoKα","","0.0626","0.0397","","","0.1096","0.1479","","","","","","1.11","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029384","45.341","0.003","6.3267","0.0004","19.1637","0.001","90","","94.165","0.003","90","","5482.8","0.6","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H38 N2 O -","- C34 H38 N2 O -","- C272 H304 N16 O8 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.191","0.0745","","","0.1423","0.1954","","","","","","0.966","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029385","9.3084","0.0009","11.0123","0.0011","14.2584","0.0014","96.174","0.002","92.581","0.001","96.04","0.002","1442.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 Cl2 O5 -","- C33 H34 Cl2 O5 -","- C66 H68 Cl4 O10 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0512","0.0454","","","0.12","0.1242","","","","","","1.242","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029386","34.0554","0.0018","9.9336","0.0005","23.0128","0.0012","90","","129.512","0.003","90","","6006.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 F6 N2 O -","- C34 H32 F6 N2 O -","- C272 H256 F48 N16 O8 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1291","0.0587","","","0.148","0.1833","","","","","","0.834","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029387","9.568","0.0001","9.0894","0.0001","28.1687","0.0004","90","","95.888","0.001","90","","2436.83","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0906","0.0601","","","0.1436","0.1622","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029388","27.2623","0.0015","7.994","0.0004","18.8173","0.001","90","","130.377","0.001","90","","3124.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C144 H152 O32 -","4","0.5","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0417","0.0368","","","0.0969","0.1017","","","","","","1.001","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029389","16.1001","0.0017","19.841","0.002","17.6455","0.0019","90","","115.919","0.002","90","","5069.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F6 O2 -","- C32 H24 F6 O2 -","- C256 H192 F48 O16 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1681","0.0674","","","0.1566","0.204","","","","","","1.009","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029390","21.8256","0.001","10.1693","0.0004","25.5637","0.0011","90","","90","","90","","5673.9","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H38 N2 O3 -","- C34 H38 N2 O3 -","- C272 H304 N16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1759","0.0767","","","0.1766","0.2146","","","","","","0.948","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029391","9.148","0.004","12.84","0.006","13.415","0.006","107.886","0.008","101.844","0.007","92.212","0.007","1458.9","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C68 H68 O12 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2641","0.1457","","","0.3817","0.4334","","","","","","1.478","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029392","9.8125","0.0008","11.0615","0.0008","13.6335","0.001","70.815","0.005","78.876","0.005","81.967","0.005","1366.69","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Br2 O4 -","- C32 H26 Br2 O4 -","- C64 H52 Br4 O8 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2137","0.1172","","","0.2944","0.3326","","","","","","0.96","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029393","25.956","0.011","6.182","0.003","19.745","0.008","90","","90.35","0.006","90","","3168","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 O3 -","- C38 H44 O3 -","- C152 H176 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1405","0.0643","","","0.1506","0.1912","","","","","","0.826","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029394","15.8962","0.0008","23.9751","0.0014","15.4845","0.0009","90","","115.677","0.003","90","","5318.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C272 H272 O32 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2732","0.1017","","","0.1587","0.2266","","","","","","0.961","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029395","14.3696","0.0006","24.357","0.001","8.882","0.0004","90","","90","","90","","3108.7","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C144 H152 O32 -","4","0.5","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1006","0.0641","","","0.1439","0.1615","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029396","11.2069","0.0002","11.0239","0.0002","18.5291","0.0004","90","","90.694","0.001","90","","2288.99","0.08","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0691","0.0478","","","0.145","0.1654","","","","","","1.127","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029397","13.809","0.004","10.376","0.003","21.761","0.006","90","","94.95","0.006","90","","3106.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cl2 N2 O3 -","- C35 H40 Cl2 N2 O3 -","- C140 H160 Cl8 N8 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.3044","0.0662","","","0.141","0.2509","","","","","","0.667","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029398","18.9058","0.0005","9.7027","0.0003","16.0143","0.0004","90","","114.597","0.0015","90","","2671.05","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C128 H128 O20 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0727","0.0449","","","0.0991","0.1094","","","","","","0.921","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029399","12.3177","0.0004","14.2234","0.0004","16.6636","0.0005","84.729","0.002","73.553","0.002","66.674","0.003","2570.47","0.15","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1812","0.0618","","","0.1412","0.1996","","","","","","0.699","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029400","10.7473","0.001","24.594","0.002","10.5723","0.0011","90","","107.995","0.006","90","","2657.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 F6 O3 -","- C32 H26 F6 O3 -","- C128 H104 F24 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1389","0.0765","","","0.179","0.2258","","","","","","1.013","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029401","10.0529","0.0014","12.8185","0.0018","13.4817","0.0019","102.978","0.002","111.583","0.002","93.167","0.003","1555.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C72 H76 O16 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.084","0.0569","","","0.1658","0.1912","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029402","20.42","0.0008","10.0168","0.0004","23.6874","0.001","90","","90","","90","","4845.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F2 O3 -","- C30 H26 F2 O3 -","- C240 H208 F16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0548","0.037","","","0.0864","0.0973","","","","","","1.023","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029403","8.7765","0.0007","26.7134","0.0018","23.5585","0.0016","90","","90","","90","","5523.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F6 O3 -","- C32 H26 F6 O3 -","- C256 H208 F48 O24 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1506","0.0549","","","0.0992","0.1321","","","","","","0.842","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029404","14.6805","0.0002","15.8549","0.0002","10.8348","0.0002","90","","90","","90","","2521.88","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0559","0.044","","","0.0992","0.1045","","","","","","1.115","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029405","10.2734","0.0003","15.6266","0.0004","16.2315","0.0004","107.797","0.002","90.011","0.002","91.077","0.002","2480.59","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0812","0.0632","","","0.1582","0.1667","","","","","","1.082","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029406","24.0553","0.0006","9.1097","0.0002","24.6742","0.0006","90","","98.351","0.002","90","","5349.7","0.2","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C256 H256 O40 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1181","0.056","","","0.1353","0.1669","","","","","","1.018","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029407","10.3767","0.0002","12.3787","0.0003","21.9131","0.0005","87.931","0.002","84.966","0.002","88.166","0.002","2800.88","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C136 H136 O24 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1149","0.059","","","0.1342","0.1595","","","","","","0.999","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029408","10.9755","0.0001","11.2553","0.0002","22.7841","0.0003","90","","94.201","0.001","90","","2807.02","0.07","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C34.5 H37 N O1.5 -","- C34.5 H37 N O1.5 -","- C138 H148 N4 O6 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0525","0.0443","","","0.1118","0.1187","","","","","","0.764","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029409","21.8582","0.0009","11.2916","0.0005","20.2879","0.0008","90","","99.753","0.003","90","","4935","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N2 O6 -","- C30 H24 N2 O6 -","- C240 H192 N16 O48 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0947","0.0567","","","0.136","0.156","","","","","","1.036","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029410","9.5203","0.0011","23.024","0.003","11.6499","0.0014","90","","100.456","0.003","90","","2511.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C128 H96 N8 O8 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1614","0.0659","","","0.1538","0.1834","","","","","","0.865","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029411","6.867","0.002","14.544","0.005","15.106","0.005","83.765","0.005","89.255","0.006","89.174","0.006","1499.5","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C72 H76 O16 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2381","0.0728","","","0.1311","0.192","","","","","","0.901","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029412","8.0506","0.0003","13.1393","0.0006","13.3586","0.0006","68.499","0.002","76.048","0.003","76.844","0.003","1260.68","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C64 H64 O10 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0779","0.0472","","","0.0962","0.1073","","","","","","0.873","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029413","12.0322","0.0003","11.9498","0.0003","20.361","0.0005","90","","100.039","0.002","90","","2882.73","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O6 -","- C34 H38 O6 -","- C136 H152 O24 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0934","0.0471","","","0.0898","0.1064","","","","","","1.002","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029414","23.741","0.0017","8.7785","0.0006","28.77","0.002","90","","103.418","0.005","90","","5832.3","0.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H32 F6 N2 O -","- C34 H32 F6 N2 O -","- C272 H256 F48 N16 O8 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2451","0.1234","","","0.2525","0.2941","","","","","","1.239","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029415","10.3391","0.0003","22.1229","0.0006","10.9627","0.0003","90","","110.352","0.002","90","","2350.97","0.12","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 -","- C32 H30 -","- C128 H120 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1432","0.0806","","","0.211","0.2366","","","","","","1.056","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029416","11.834","0.003","21.682","0.006","21.523","0.006","90","","94.25","0.005","90","","5507","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C272 H272 O48 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2701","0.0551","","","0.0728","0.1163","","","","","","0.654","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029417","11.173","0.008","25.204","0.019","9.16","0.007","90","","102.144","0.013","90","","2522","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O -","- C32 H31 N O -","- C128 H124 N4 O4 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.3569","0.0914","","","0.175","0.2941","","","","","","0.86","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029418","11.7883","0.0006","17.9576","0.0009","14.1225","0.0007","90","","90.594","0.004","90","","2989.4","0.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl2 N3 O3 -","- C33 H33 Cl2 N3 O3 -","- C132 H132 Cl8 N12 O12 -","4","2","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","1.54178","CuKα","","0.0797","0.0618","","","0.1624","0.1786","","","","","","1.026","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029419","14.5913","0.0009","14.5913","0.0009","24.0429","0.0016","90","","90","","120","","4433.1","0.5","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H28 Cl N3 O2 -","- C31 H28 Cl N3 O2 -","- C186 H168 Cl6 N18 O12 -","6","1","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","0.71073","MoKα","","0.1722","0.0772","","","0.1742","0.1958","","","","","","0.999","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029420","6.644","0.0004","10.4808","0.0006","15.2251","0.0008","90","","100.429","0.003","90","","1042.68","0.1","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Bisht, Rajesh H.; Gonnade, Rajesh G.; Biju, Akkattu T.","Diels-Alder Reaction of Tropones with Arynes: Synthesis of Functionalized Benzobicyclo[3.2.2]nonatrienones.","The Journal of organic chemistry","2014","79","10","4757","4762","10.1021/jo500819w","","","0.71073","MoKα","","0.0414","0.0381","","","0.0967","0.0995","","","","","","1.028","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029425","9.1343","0.0007","6.8955","0.0005","20.2243","0.0015","90","","91.191","0.002","90","","1273.56","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","C-2 deoxy Glycoside","Bboc-protected iodo sugar","","- C20 H29 I N O11 -","- C20 H29 I N O11 -","- C40 H58 I2 N2 O22 -","2","1","","Islam, Maidul; Tirukoti, Nishanth D.; Nandi, Shyamapada; Hotha, Srinivas","Hypervalent iodine mediated synthesis of C-2 deoxy glycosides and amino Acid glycoconjugates.","The Journal of organic chemistry","2014","79","10","4470","4476","10.1021/jo500465m","","","1.54178","CuKα","","0.0328","0.0326","","","0.0827","0.083","","","","","","1.062","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029426","10.12","0.002","10.669","0.002","16.642","0.003","90","","106.45","0.03","90","","1723.3","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","En, Da; Zou, Gong-Feng; Guo, Yuan; Liao, Wei-Wei","Nucleophilic Phosphine-Catalyzed Intramolecular Michael Reactions of N-Allylic Substituted α-Amino Nitriles: Construction of Functionalized Pyrrolidine Rings via 5-endo-trig Cyclizations.","The Journal of organic chemistry","2014","79","10","4456","4462","10.1021/jo500418s","","","0.71073","MoKα","","0.056","0.0447","","","0.1237","0.1303","","","","","","1.08","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029427","13.685","0.0007","20.3904","0.0014","17.52","0.001","90","","105.773","0.004","90","","4704.7","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H132 Cl6 N12 O39 -","- C66 H132 Cl6 N12 O39 -","- C132 H264 Cl12 N24 O78 -","2","1","","Faggi, Enrico; Moure, Alejandra; Bolte, Michael; Vicent, Cristian; Luis, Santiago V.; Alfonso, Ignacio","Pseudopeptidic cages as receptors for N-protected dipeptides.","The Journal of organic chemistry","2014","79","10","4590","4601","10.1021/jo500629d","","","0.71073","MoKα","","0.1278","0.1158","","","0.32","0.3353","","","","","","1.265","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029428","41.527","0.006","11.0922","0.0017","26.113","0.004","90","","123.323","0.003","90","","10051","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 Br N4 O4 -","- C25 H25 Br N4 O4 -","- C400 H400 Br16 N64 O64 -","16","4","","Li, Tian-Ze; Wang, Xi-Bo; Sha, Feng; Wu, Xin-Yan","Organocatalyzed enantioselective mannich reaction of pyrazoleamides with isatin-derived ketimines.","The Journal of organic chemistry","2014","79","10","4332","4339","10.1021/jo500145w","","","0.71073","MoKα","","0.1365","0.0568","","","0.1117","0.1387","","","","","","0.969","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029429","13.77","0.003","9.3234","0.0015","17.015","0.003","90","","101.934","0.002","90","","2137.2","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 Se -","- C27 H20 N2 Se -","- C108 H80 N8 Se4 -","4","1","","Murai, Toshiaki; Yamaguchi, Kirara; Hori, Fumihiko; Maruyama, Toshifumi","Reaction of selenoamide dianions with thio- and selenoformamides leading to the formation of 5-aminoselenazoles: photophysical and electrochemical properties.","The Journal of organic chemistry","2014","79","11","4930","4939","10.1021/jo500499g","","","0.71075","MoKα","","0.0362","0.0301","","","0.0758","0.0795","","","","","","1.044","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029430","9.0667","0.0016","9.4296","0.0016","9.8594","0.0018","112.774","0.004","98.136","0.004","107.001","0.004","711.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Orejarena Pacheco, Julio Cesar; Opatz, Till","Ring Expansion of 1,2,3,4-Tetrahydroisoquinolines to Dibenzo[c,f]azonines. An Unexpected [1,4]-Sigmatropic Rearrangement of Nitrile-Stabilized Ammonium Ylides.","The Journal of organic chemistry","2014","79","11","5182","5192","10.1021/jo500749x","","","0.71073","MoKα","","0.0459","0.0414","","","0.1045","0.1087","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029431","14.3891","0.0008","9.2391","0.0006","13.2215","0.0009","90","","107.576","0.002","90","","1675.64","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Orejarena Pacheco, Julio Cesar; Opatz, Till","Ring Expansion of 1,2,3,4-Tetrahydroisoquinolines to Dibenzo[c,f]azonines. An Unexpected [1,4]-Sigmatropic Rearrangement of Nitrile-Stabilized Ammonium Ylides.","The Journal of organic chemistry","2014","79","11","5182","5192","10.1021/jo500749x","","","0.71073","MoKα","","0.0571","0.041","","","0.1003","0.109","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029432","6.4802","0.0003","13.1979","0.0005","25.4488","0.0009","90","","90","","90","","2176.51","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C100 H116 N4 O24 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0355","0.0332","","","0.0877","0.0891","","","","","","1.024","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029433","5.8822","0.0003","15.7145","0.0008","16.2267","0.0007","90","","90","","90","","1499.93","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0388","0.0377","","","0.107","0.1082","","","","","","1.041","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029434","9.4852","0.0001","16.6744","0.0002","15.2017","0.0002","90","","94.942","0.001","90","","2395.36","0.05","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O4 -","- C27 H23 N3 O4 -","- C108 H92 N12 O16 -","4","1","","Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles.","The Journal of organic chemistry","2014","79","11","5305","5314","10.1021/jo500432c","","","1.54184","CuKα","","0.0497","0.0434","","","0.1295","0.1372","","","","","","1.06","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029435","10.2604","0.0004","15.8897","0.0005","13.009","0.0006","90","","108.475","0.004","90","","2011.61","0.14","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 S -","- C23 H18 N2 O4 S -","- C92 H72 N8 O16 S4 -","4","1","","Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles.","The Journal of organic chemistry","2014","79","11","5305","5314","10.1021/jo500432c","","","0.71073","MoKα","","0.0769","0.0538","","","0.1277","0.1423","","","","","","1.036","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029436","23.162","0.001","11.5821","0.0005","11.2981","0.0004","90","","100.997","0.002","90","","2975.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O8 -","- C32 H36 O8 -","- C128 H144 O32 -","4","1","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.0879","0.0509","","","0.1202","0.1467","","","","","","1.09","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029437","12.15","0.005","10.181","0.005","18.898","0.005","90","0.005","95.579","0.005","90","0.005","2326.6","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.1073","0.0565","","","0.137","0.1654","","","","","","1.022","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029438","12.0165","0.0003","16.3915","0.0004","18.4237","0.0004","114.762","0.001","103.433","0.001","92.396","0.001","3165.08","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Cl2 O7 -","- C36 H38 Cl2 O7 -","- C144 H152 Cl8 O28 -","4","2","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.083","0.0455","","","0.1064","0.1351","","","","","","1.052","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029439","46.9596","0.0011","12.7191","0.0003","20.5382","0.0005","90","","107.083","0.002","90","","11725.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H44 O8 -","- C28 H44 O8 -","- C448 H704 O128 -","16","4","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.3114","0.0619","","","0.1422","0.2927","","","","","","0.939","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029440","17.077","0.003","17.49","0.003","17.638","0.003","102.333","0.008","92.957","0.008","117.285","0.006","4505.6","1.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H36 O7 -","- C23 H36 O7 -","- C184 H288 O56 -","8","4","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.2987","0.0659","","","0.1457","0.2682","","","","","","0.923","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029445","6.993","0.003","8.884","0.004","26.801","0.007","90","","90","","90","","1665","1.1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0435","0.0338","","","0.0849","0.0897","","","","","","1.059","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029446","6.2114","0.0015","7.8271","0.0019","34.589","0.009","90","","90","","90","","1681.6","0.7","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0548","0.0396","","","0.1019","0.1078","","","","","","1.03","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029447","7.043","0.002","19.934","0.008","13.754","0.005","90","","90.379","0.016","90","","1931","1.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0613","0.0424","","","0.1178","0.1281","","","","","","1.051","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029448","12.393","0.003","10.745","0.002","13.09","0.003","90","","100.07","0.03","90","","1716.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 N2 O2 S -","- C18 H15 F3 N2 O2 S -","- C72 H60 F12 N8 O8 S4 -","4","1","","Wang, Nuancheng; Li, Renhe; Li, Liubo; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed Intermolecular Amidation with Azides via C(sp(3))-H Functionalization.","The Journal of organic chemistry","2014","79","11","5379","5385","10.1021/jo5008515","","","0.71073","MoKα","","0.0531","0.0408","","","0.1101","0.1176","","","","","","1.071","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029449","10.1714","0.001","10.7715","0.0011","16.287","0.0016","90","","90","","90","","1784.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Curto, John M.; Kozlowski, Marisa C.","α-Allyl-α-aryl α-Amino Esters in the Asymmetric Synthesis of Acyclic and Cyclic Amino Acid Derivatives by Alkene Metathesis.","The Journal of organic chemistry","2014","79","11","5359","5364","10.1021/jo500707t","","","1.54178","CuKα","","0.0237","0.0235","","","0.0589","0.0591","","","","","","1.11","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029450","8.9709","0.0008","14.6155","0.0013","18.1662","0.0017","90","","90","","90","","2381.8","0.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F3 N O7 -","- C23 H28 F3 N O7 -","- C92 H112 F12 N4 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0369","0.0304","","","0.0677","0.0705","","","","","","1.057","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029451","7.321","0.006","11.808","0.009","9.419","0.008","90","","110.277","0.01","90","","763.8","1.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 -","- C14 H23 N O5 -","- C28 H46 N2 O10 -","2","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0509","0.0371","","","0.0765","0.0803","","","","","","0.951","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029452","16.598","0.006","11.093","0.004","13.208","0.004","90","","90","","90","","2431.9","1.4","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0324","0.0287","","","0.0688","0.0709","","","","","","1.044","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029453","11.046","0.005","16.939","0.007","13.237","0.006","90","","90","","90","","2476.8","1.9","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0456","0.0369","","","0.097","0.1075","","","","","","1.076","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029454","9.909","0.004","12.774","0.005","19.563","0.008","90","","90","","90","","2476.2","1.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O7 S -","- C25 H34 N2 O7 S -","- C100 H136 N8 O28 S4 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0298","0.0263","","","0.062","0.0637","","","","","","1.048","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029455","10.0129","0.0019","17.402","0.003","20.03","0.004","90","","90","","90","","3490.1","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 Br N3 O10 -","- C34 H48 Br N3 O10 -","- C136 H192 Br4 N12 O40 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0226","0.0205","","","0.054","0.0546","","","","","","1.081","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029456","7.583","0.003","8.075","0.003","28.833","0.014","90","","95.49","0.03","90","","1757.4","1.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N4 O -","- C19 H21 Cl N4 O -","- C76 H84 Cl4 N16 O4 -","4","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0668","0.0448","","","0.1129","0.1245","","","","","","1.054","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029457","21.4045","0.0017","9.0833","0.0008","17.5993","0.0013","90","","94.482","0.002","90","","3411.3","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F N5 O3 -","- C18 H18 F N5 O3 -","- C144 H144 F8 N40 O24 -","8","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0538","0.0382","","","0.0895","0.0984","","","","","","1.015","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029458","8.9862","0.0008","9.873","0.0009","10.3897","0.0009","115.309","0.002","100.343","0.003","104.653","0.003","761.34","0.12","101","","100.94","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Br Cl N3 O3 -","- C14 H15 Br Cl N3 O3 -","- C28 H30 Br2 Cl2 N6 O6 -","2","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0383","0.0349","","","0.1038","0.1068","","","","","","1.071","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029459","4.878","0.002","16.418","0.007","19.847","0.009","90","","90","","90","","1589.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O3 -","- C18 H17 Cl O3 -","- C72 H68 Cl4 O12 -","4","1","","Zeng, Zhongyi; Yang, Dingqiao; Long, Yuhua; Pan, Xuejing; Huang, Guobao; Zuo, Xiongjun; Zhou, Wen","Nickel-catalyzed asymmetric ring opening of oxabenzonorbornadienes with arylboronic acids.","The Journal of organic chemistry","2014","79","11","5249","5257","10.1021/jo500821m","","","0.71073","MoKα","","0.1562","0.0657","","","0.1505","0.1847","","","","","","1.116","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029460","11.119","0.008","11.175","0.007","18.547","0.015","77.91","0.05","84.55","0.05","60.74","0.03","1966","3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C72 H114 N6 O24 -","6","3","","Zhou, Lili; Yao, Yanmin; Xu, Wenbo; Liang, Guangxin","Total Syntheses of (±)-Omphadiol and (±)-Pyxidatol C through a Cis-Fused 5,7-Carbocyclic Common Intermediate.","The Journal of organic chemistry","2014","79","11","5345","5350","10.1021/jo5006125","","","0.71073","MoKα","","0.1793","0.1133","","","0.2877","0.3432","","","","","","0.988","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029461","6.547","0.003","14.435","0.007","7.735","0.004","90","","108.659","0.018","90","","692.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 Cl2 O P -","- C14 H19 Cl2 O P -","- C28 H38 Cl4 O2 P2 -","2","1","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0457","0.037","","","0.0831","0.0889","","","","","","1.092","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029462","8.5927","0.001","12.5125","0.0011","9.8811","0.0011","90","","107.977","0.013","90","","1010.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H31 Cl2 O P -","- C26 H31 Cl2 O P -","- C52 H62 Cl4 O2 P2 -","2","0.5","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0444","0.0361","","","0.109","0.114","","","","","","0.921","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029463","13.7657","0.001","6.5028","0.0006","20.58","0.0014","90","","91.615","0.008","90","","1841.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 O P -","- C22 H27 Cl2 O P -","- C88 H108 Cl8 O4 P4 -","4","1","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0529","0.034","","","0.0893","0.0996","","","","","","0.676","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029464","7.1772","0.0005","7.3897","0.0005","20.5531","0.0013","90","","91.23","0.003","90","","1089.83","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 S Si -","- C18 H26 N2 O5 S Si -","- C36 H52 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0619","0.0585","","","0.1523","0.1561","","","","","","1.042","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029465","6.1282","0.0012","8.0712","0.0016","36.366","0.007","90","","90","","90","","1798.7","0.6","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O5 S -","- C17 H20 N2 O5 S -","- C68 H80 N8 O20 S4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0385","0.0381","","","0.0857","0.0859","","","","","","1.233","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029466","7.2155","0.0004","7.3686","0.0004","21.8244","0.0011","90","","91.207","0.003","90","","1160.11","0.11","158","1","158","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0432","","","0.1026","0.1108","","","","","","1.036","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029467","12.4009","0.0005","7.2781","0.0003","12.4672","0.0005","90","","94.562","0.001","90","","1121.66","0.08","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C44 H60 N4 O8 S4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0353","0.0321","","","0.0855","0.0897","","","","","","1.058","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029468","12.5959","0.0011","12.7985","0.0011","18.2292","0.0016","90","","90","","90","","2938.7","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Co2 N O9 S Si -","- C22 H31 Co2 N O9 S Si -","- C88 H124 Co8 N4 O36 S4 Si4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0403","0.0372","","","0.0857","0.087","","","","","","1.24","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029469","7.7299","0.0005","8.0026","0.0006","21.4995","0.0016","90","","91.981","0.003","90","","1329.15","0.16","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","2","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0218","0.0215","","","0.0575","0.058","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029470","7.6048","0.0005","7.3949","0.0005","13.9958","0.0011","90","","94.525","0.003","90","","784.62","0.1","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C32 H32 N4 O8 S2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.036","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029471","7.3131","0.0002","12.6022","0.0004","28.2003","0.0009","90","","95.198","0.002","90","","2588.28","0.14","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C88 H112 N16 O32 S8 -","8","4","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0371","","","0.0673","0.0734","","","","","","1.01","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029472","9.956","0.0004","7.927","0.0003","14.0034","0.0006","90","","96.822","0.002","90","","1097.34","0.08","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0233","0.0225","","","0.062","0.0628","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029474","9.5645","0.0009","15.6682","0.0017","17.0313","0.0018","90","","95.23","0.001","90","","2541.7","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N6 -","- C29 H26 N6 -","- C116 H104 N24 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.1205","0.0546","","","0.1289","0.1844","","","","","","1.061","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029475","18.4011","0.0016","6.1969","0.0005","23.223","0.002","90","","105.394","0.002","90","","2553.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br2 N4 O -","- C28 H22 Br2 N4 O -","- C112 H88 Br8 N16 O4 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.2586","0.1119","","","0.2151","0.256","","","","","","1.059","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029476","9.585","0.0006","12.7985","0.0007","18.4861","0.0012","90","","91.299","0.001","90","","2267.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl2 N6 -","- C26 H20 Cl2 N6 -","- C104 H80 Cl8 N24 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.094","0.0518","","","0.1015","0.1245","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029477","32.018","0.003","9.2309","0.0005","21.6503","0.0014","90","","110.711","0.002","90","","5985.3","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N6 O2 -","- C36 H30 N6 O2 -","- C288 H240 N48 O16 -","8","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.1438","0.0565","","","0.0833","0.1038","","","","","","1.004","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029478","47.727","0.009","14.35","0.003","17.94","0.004","90","","102.5","0.03","90","","11996","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 Cl3 N8 O8 -","- C47 H55 Cl3 N8 O8 -","- C376 H440 Cl24 N64 O64 -","8","1","","Shang, Jie; Gallagher, Nolan M.; Bie, Fusheng; Li, Qiaolian; Che, Yanke; Wang, Ying; Jiang, Hua","Aromatic triazole foldamers induced by C-h···x (x = f, cl) intramolecular hydrogen bonding.","The Journal of organic chemistry","2014","79","11","5134","5144","10.1021/jo500582c","","","0.71073","MoKα","","0.1604","0.1162","","","0.2877","0.3083","","","","","","1.352","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029479","9.6484","0.0019","13.075","0.003","28.303","0.006","90","","98.2","0.03","90","","3534","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 F3 N6 O6 -","- C37 H37 F3 N6 O6 -","- C148 H148 F12 N24 O24 -","4","1","","Shang, Jie; Gallagher, Nolan M.; Bie, Fusheng; Li, Qiaolian; Che, Yanke; Wang, Ying; Jiang, Hua","Aromatic triazole foldamers induced by C-h···x (x = f, cl) intramolecular hydrogen bonding.","The Journal of organic chemistry","2014","79","11","5134","5144","10.1021/jo500582c","","","0.71073","MoKα","","0.1483","0.1041","","","0.1825","0.2018","","","","","","1.174","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029480","10.379","0.002","33.918","0.007","19.627","0.004","90","","99.06","0.03","90","","6823","2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H103 N18 O11 -","- C55 H107.5 N18 O11 -","- C220 H430 N72 O44 -","4","2","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0541","0.0517","","","0.1359","0.1384","","","","","","1.016","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029481","18.609","0.004","20","0.004","21.577","0.004","90","","107.06","0.03","90","","7677","3","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C58 H111 N19 O11 -","- C58 H111 N19 O11 -","- C232 H444 N76 O44 -","4","1","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0899","0.0827","","","0.2159","0.2237","","","","","","1.06","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029482","10.4871","0.0005","11.1272","0.0005","19.6809","0.0009","90","","90","","90","","2296.6","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 B2 N3 O5 -","- C20 H37 B2 N3 O5 -","- C80 H148 B8 N12 O20 -","4","1","","Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Boryl azides in 1,3-dipolar cycloadditions.","The Journal of organic chemistry","2014","79","12","5478","5483","10.1021/jo500549m","","","1.54178","CuKα","","0.0306","0.0277","","","0.0641","0.0656","","","","","","1.003","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029483","7.2695","0.0009","15.2273","0.0019","8.6831","0.0011","90","","107.665","0.005","90","","915.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 N3 O -","- C8 H15 N3 O -","- C32 H60 N12 O4 -","4","1","","Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Boryl azides in 1,3-dipolar cycloadditions.","The Journal of organic chemistry","2014","79","12","5478","5483","10.1021/jo500549m","","","0.71073","MoKα","","0.0721","0.0444","","","0.1122","0.1309","","","","","","0.874","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029484","10.839","0.002","15.667","0.003","21.444","0.004","90","","90","","90","","3641.5","1.2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H24 Ag F6 P -","- C16 H24 Ag F6 P -","- C128 H192 Ag8 F48 P8 -","8","0.5","","Bera, Milan; Roy, Sujit","Silver(I)-catalyzed dual activation of propargylic alcohol and aziridine/azetidine: triggering ring-opening and endo-selective ring-closing in a cascade.","The Journal of organic chemistry","2009","74","22","8814","8817","10.1021/jo901877f","","","0.71073","MoKα","","0.0807","0.0506","","","0.1318","0.1531","","","","","","1.029","","","","has coordinates","264242","2021-04-16","08:49:18",""
"4029485","14.2312","0.0005","18.3897","0.0006","18.4657","0.0006","90","","128.202","0.002","90","","3797.6","0.2","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","rsgen45","3,6-Bis(3,3,3-triphenylpropynyl)pyridazine N-oxide","","- C47 H33 Cl3 N2 O -","- C47 H33 Cl3 N2 O -","- C188 H132 Cl12 N8 O4 -","4","1","","Rodriguez-Molina, Braulio; Ochoa, Ma Eugenia; Farfán, Norberto; Santillan, Rosa; García-Garibay, Miguel A","Synthesis, characterization, and rotational dynamics of crystalline molecular compasses with N-heterocyclic rotators.","The Journal of organic chemistry","2009","74","22","8554","8565","10.1021/jo901261j","","x-ray","0.7107","MoKα","","0.1999","0.0961","","","0.1945","0.2454","","","","","","1.089","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029486","9.5072","0.0015","10.528","0.0017","19.011","0.003","79.888","0.002","82.942","0.002","88.888","0.002","1859.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0814","0.0703","","","0.1716","0.1835","","","","","","0.995","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029487","12.0489","0.0016","13.7719","0.0018","15.829","0.002","111.578","0.002","92.637","0.002","96.848","0.002","2413.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H20.5 N4 O0.75 -","- C24.5 H20.5 N4 O0.75 -","- C98 H82 N16 O3 -","4","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.1818","0.1008","","","0.3045","0.3404","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029488","11.3527","0.0011","13.0321","0.0013","17.9267","0.0018","90","","96.385","0.001","90","","2635.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 N4 O0 -","- C31 H23 N4 -","- C124 H92 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.072","0.0508","","","0.1543","0.1656","","","","","","1.026","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029489","10.454","0.002","10.645","0.002","10.66","0.002","83.442","0.002","64.256","0.002","85.419","0.002","1060.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 N4 -","- C27 H18 N4 -","- C54 H36 N8 -","2","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0871","0.0451","","","0.0996","0.1231","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029490","11.2812","0.001","43.28","0.004","12.7042","0.0012","90","","102.177","0.001","90","","6063.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 Cl3 N4 -","- C28 H15 Cl3 N4 -","- C224 H120 Cl24 N32 -","8","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.2919","0.2318","","","0.5674","0.604","","","","","","2.348","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029491","10.643","0.009","12.128","0.01","16.121","0.014","88.717","0.011","82.26","0.011","79.692","0.011","2029","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 Cl2 N4 -","- C25 H12 Cl2 N4 -","- C100 H48 Cl8 N16 -","4","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.2352","0.1438","","","0.3475","0.4022","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029492","12.8905","0.0014","18.936","0.002","14.3773","0.0015","90","","91.727","0.002","90","","3507.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 N4 O -","- C39 H42 N4 O -","- C156 H168 N16 O4 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.097","0.0684","","","0.2008","0.2305","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029493","26.535","0.003","10.0033","0.0013","21.122","0.003","90","","107.909","0.002","90","","5334.9","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cl2 N5 -","- C29 H23 Cl2 N5 -","- C232 H184 Cl16 N40 -","8","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0765","0.0601","","","0.1698","0.189","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029494","30.75","0.03","10.011","0.012","21.55","0.02","90","","114.819","0.013","90","","6021","11","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 N5 -","- C32 H29 N5 -","- C256 H232 N40 -","8","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.2448","0.2321","","","0.6113","0.6212","","","","","","3.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029495","10.9503","0.0019","6.7085","0.0012","27.21","0.005","90","","95.326","0.002","90","","1990.2","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 -","- C26 H16 N4 -","- C104 H64 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.1085","0.0487","","","0.1127","0.1384","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029496","17.989","0.002","6.8454","0.0008","21.7964","0.0017","90","","123.917","0.006","90","","2227.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0703","0.0445","","","0.1216","0.1406","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029497","16.979","0.002","7.1536","0.0009","18.099","0.002","90","","103.972","0.002","90","","2133.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Cl2 N4 -","- C26 H14 Cl2 N4 -","- C104 H56 Cl8 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0827","0.0573","","","0.1429","0.1683","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029498","10.1633","0.0017","10.883","0.0017","12.1","0.002","78.048","0.002","67.239","0.002","79.691","0.002","1200.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N4 -","- C30 H24 N4 -","- C60 H48 N8 -","2","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0823","0.0513","","","0.1394","0.159","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029499","10.0403","0.0018","10.9408","0.0019","12.564","0.002","90.04","0.003","104.859","0.003","99.734","0.003","1313.4","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N4 -","- C32 H28 N4 -","- C64 H56 N8 -","2","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.135","0.0679","","","0.1846","0.229","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029500","16.681","0.0016","21.154","0.003","19.294","0.002","90","","96.439","0.012","90","","6765.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 N P -","- C37 H44 N P -","- C296 H352 N8 P8 -","8","2","","Öberg, Elisabet; Schäfer, Bernhard; Geng, Xue-Li; Pettersson, Jenny; Hu, Qi; Kritikos, Mikael; Rasmussen, Torben; Ott, Sascha","C,C-Diacetylenic Phosphaalkenes as Heavy Diethynylethene Analogues","The Journal of Organic Chemistry","2009","74","24","9265","9273","10.1021/jo901942u","","","0.71073","MoKα","","0.2569","0.0688","","","0.1628","0.2426","","","","","","0.712","","","","has coordinates","219040","2020-10-21","18:00:00",""
"4029503","11.5472","0.0014","11.8178","0.0015","23.6812","0.003","90","","90","","90","","3231.6","0.7","110","2","110","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N3 O5 -","- C39 H39 N3 O5 -","- C156 H156 N12 O20 -","4","1","","Marcaccini, Stefano; Neo, Ana G.; Marcos, Carlos F.","Sequential five-component synthesis of spiropyrrolidinochromanones.","The Journal of organic chemistry","2009","74","17","6888","6890","10.1021/jo900992w","","x-ray","0.71073","MoKα","","0.0869","0.0436","","","0.0853","0.1079","","","","","","1.14","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029504","17.0237","0.0006","9.7682","0.0003","14.0662","0.0004","90","","93.164","0.002","90","","2335.52","0.13","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl4 N4 -","- C24 H16 Cl4 N4 -","- C96 H64 Cl16 N16 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0706","0.0454","","","0.1094","0.1271","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029505","4.164","0.0003","26.744","0.0019","11.3686","0.0008","90","","92.945","0.004","90","","1264.36","0.16","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0474","0.0325","","","0.1058","0.1212","","","","","","0.909","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029506","7.3168","0.0014","10.967","0.002","14.476","0.003","87.087","0.003","77.914","0.003","79.985","0.003","1118.4","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C48 H32 Cl8 N8 -","4","2","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.1327","0.0555","","","0.1009","0.1202","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029507","13.6016","0.0011","5.1312","0.0004","16.377","0.0012","90","","94.686","0.004","90","","1139.17","0.15","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C48 H32 Cl8 N8 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0759","0.0375","","","0.0695","0.081","","","","","","1.018","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029508","10.1565","0.0014","10.4149","0.0014","11.8711","0.0016","96.047","0.002","110.545","0.002","105.94","0.002","1101.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","ubsd01","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C50 H44 N4 O12 S2 -","2","1","","French, Jonathan M.; Diver, Steven T.","Gold(I)-Promoted Heterocyclization of Internal Alkynes: A Comparative Study of Direct Metallate 5-endo-dig Cyclization versus a Stepwise Cyclization.","The Journal of organic chemistry","2014","79","12","5569","5585","10.1021/jo500748e","","","0.71073","MoKα","","0.0928","0.0552","","","0.1306","0.1532","","","","","","1.057","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029509","9.088","0.004","12.184","0.003","15.086","0.003","101.612","0.02","90.49","0.03","107.47","0.03","1556.5","0.9","297.8","0.8","297.8","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","","Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz","Tandem Reactions via Barton Esters with Intermolecular Addition and Vinyl Radical Substitution onto Indole.","The Journal of organic chemistry","2014","79","12","5903","5907","10.1021/jo5008543","","","0.71073","MoKα","","0.2932","0.1188","","","0.1879","0.2696","","","","","","0.94","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029510","9.2424","0.0014","10.0425","0.0019","11.6734","0.0018","66.357","0.016","76.443","0.013","63.89","0.016","889","0.3","297","0.1","297","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz","Tandem Reactions via Barton Esters with Intermolecular Addition and Vinyl Radical Substitution onto Indole.","The Journal of organic chemistry","2014","79","12","5903","5907","10.1021/jo5008543","","","0.71073","MoKα","","0.1187","0.084","","","0.2505","0.281","","","","","","1.049","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029511","7.2917","0.0012","12.21","0.002","9.926","0.0017","90","","107.842","0.008","90","","841.2","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C38 H56 O8 -","2","1","","Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.","Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.","The Journal of organic chemistry","2014","79","12","5636","5643","10.1021/jo500813n","","","0.71073","MoKα","","0.0434","0.0364","","","0.0843","0.0887","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029512","15.9947","0.0008","6.2325","0.0002","21.7799","0.0008","90","","99.498","0.004","90","","2141.41","0.15","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C24 H40 O3 -","- C24 H40 O3 -","- C96 H160 O12 -","4","1","","Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.","Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.","The Journal of organic chemistry","2014","79","12","5636","5643","10.1021/jo500813n","","","0.71073","MoKα","","0.0469","0.0375","","","0.0834","0.0883","","","","","","1.033","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029513","13.9132","0.0008","17.1884","0.001","38.339","0.003","90","","90","","90","","9168.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H140 N6 O10 -","- C96 H140 N6 O10 -","- C384 H560 N24 O40 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","1.54178","CuKα","","0.122","0.102","","","0.2803","0.2975","","","","","","1.103","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029514","22.564","0.002","21.265","0.002","23.331","0.002","90","","90.599","0.003","90","","11194.1","1.7","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C120 H138 N14 O24 -","- C120 H138 N14 O24 -","- C480 H552 N56 O96 -","4","2","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1559","0.1064","","","0.2662","0.3107","","","","","","1.073","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029515","18.841","0.004","33.095","0.007","21.482","0.005","90","","95.513","0.008","90","","13333","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H160.5 Cl6 N17.5 O11 -","- C144 H160.5 Cl6 N17.5 O11 -","- C576 H642 Cl24 N70 O44 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1272","0.0906","","","0.2315","0.2618","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029516","18.928","0.002","33.493","0.004","20.956","0.002","90","","94.462","0.004","90","","13245","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140.75 H156.75 Cl5.25 N15 O9 -","- C140.76 H156.76 Cl5.27 N15 O9 -","- C563.04 H627.04 Cl21.08 N60 O36 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.2054","0.1398","","","0.3747","0.4022","","","","","","2.32","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029517","17.391","0.002","18.813","0.002","21.08","0.003","75.75","0.004","80.301","0.004","64.164","0.004","6001.7","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C127.85 H148.7 Cl3.45 N15.85 O25 -","- C127.85 H148.7 Cl3.45 N15.85 O25 -","- C255.7 H297.4 Cl6.9 N31.7 O50 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1716","0.1183","","","0.3114","0.344","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029518","16.6712","0.0012","19.0842","0.0013","20.6478","0.0015","87.705","0.003","83.78","0.002","87.876","0.002","6521.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H160 Cl6 N16 O10 -","- C144 H160 Cl6 N16 O10 -","- C288 H320 Cl12 N32 O20 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1602","0.1249","","","0.352","0.3729","","","","","","2.7","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029519","16.5188","0.0012","17.8039","0.0012","21.7829","0.0015","95.035","0.002","105.878","0.002","102.007","0.002","5955.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C129.75 H148 Cl3.75 N14.25 O8 -","- C129.75 H148 Cl3.75 N14.25 O8 -","- C259.5 H296 Cl7.5 N28.5 O16 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1232","0.0962","","","0.2718","0.2968","","","","","","1.043","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029520","16.893","0.0012","33.201","0.002","22.7244","0.0014","90","","105.709","0.002","90","","12269.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134.75 H149.5 Cl6.75 N15.75 O9 -","- C134.75 H149.5 Cl6.75 N15.75 O9 -","- C539 H598 Cl27 N63 O36 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.2367","0.1726","","","0.4108","0.4278","","","","","","2.335","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029521","7.84822","0.00016","8.2682","0.0002","26.3414","0.0005","90","","90","","90","","1709.31","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0323","","","","0.0915","","","","","","1.112","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029522","7.90888","0.00019","8.8674","0.0003","9.2796","0.0003","83.012","0.002","69.9059","0.0017","75.1847","0.0019","590.45","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C22 H28 N4 O6 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0404","","","","0.1295","","","","","","1.661","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029523","6.53799","0.00012","13.6252","0.0003","18.5986","0.0004","90","","90","","90","","1656.79","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0331","","","","0.0942","","","","","","1.118","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029524","6.55092","0.00012","8.59104","0.00016","23.0273","0.0005","90","","90","","90","","1295.96","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.033","","","","0.0881","","","","","","1.05","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029525","7.8482","0.0003","8.2717","0.0003","26.3382","0.0007","90","","90","","90","","1709.82","0.1","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0433","","","","0.1246","","","","","","1.265","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029526","9.19794","0.00017","10.68037","0.00019","12.7106","0.0003","90","","90","","90","","1248.66","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0434","","","","0.08","","","","","","1.837","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029527","7.709","0.0003","8.0411","0.0002","13.5247","0.0004","80.1484","0.0017","89.0366","0.0019","76.3943","0.0017","802.6","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C34 H40 N4 O4 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0544","","","","0.1241","","","","","","3.36","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029528","9.1971","0.0003","10.6801","0.0003","12.7121","0.0003","90","","90","","90","","1248.66","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0339","","","","0.0926","","","","","","1.105","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029529","7.9146","0.0003","8.8541","0.0003","9.1732","0.0003","104.507","0.0018","95.7341","0.0019","110.408","0.0018","570.71","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C22 H32 N4 O4 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0386","","","","0.1344","","","","","","1.52","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029530","7.53664","0.0001","24.0628","0.0004","7.45283","0.0001","90","","111.955","","90","","1253.57","0.03","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0379","","","","0.1116","","","","","","1.32","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029531","7.124","0.015","7.495","0.016","11.828","0.018","96.72","0.04","100.31","0.02","108.79","0.06","578","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 F N O S -","- C14 H10 F N O S -","- C28 H20 F2 N2 O2 S2 -","2","1","","Cheng, Yannan; Peng, Qian; Fan, Weigang; Li, Pixu","Room-temperature ligand-free pd/c-catalyzed C-s bond formation: synthesis of 2-substituted benzothiazoles.","The Journal of organic chemistry","2014","79","12","5812","5819","10.1021/jo5002752","","","0.7107","MoKα","","0.1158","0.0867","","","0.2374","0.2804","","","","","","1.078","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029532","7.5685","0.0002","28.8622","0.0005","8.1132","0.0001","90","","90","","90","","1772.28","0.06","291","2","291","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H17 F3 O2 -","- C20 H17 F3 O2 -","- C80 H68 F12 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","1.54184","CuKα","","0.0526","0.0453","","","0.1242","0.133","","","","","","1.023","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029533","8.351","0.009","11.258","0.011","18.802","0.019","90","","90","","90","","1768","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","0.71073","MoKα","","0.2546","0.0532","","","0.0908","0.1592","","","","","","0.878","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029536","9.336","0.0007","10.8109","0.0008","13.002","0.0009","90","","104.314","0.003","90","","1271.56","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 B N2 O6 -","- C26 H31 B N2 O6 -","- C52 H62 B2 N4 O12 -","2","1","","Yu, Shaofang; Lindeman, Sergey; Tran, Chieu D.","Chiral ionic liquids: synthesis, properties, and enantiomeric recognition.","The Journal of organic chemistry","2008","73","7","2576","2591","10.1021/jo702368t","","","1.54178","CuKα","","0.022","0.0215","","","0.056","0.0564","","","","","","0.973","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029537","8.69","0.001","15.1044","0.0017","17.1893","0.0019","90","","90","","90","","2256.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 B N2 O6 -","- C19 H33 B N2 O6 -","- C76 H132 B4 N8 O24 -","4","1","","Yu, Shaofang; Lindeman, Sergey; Tran, Chieu D.","Chiral ionic liquids: synthesis, properties, and enantiomeric recognition.","The Journal of organic chemistry","2008","73","7","2576","2591","10.1021/jo702368t","","","0.71073","MoKα","","0.0559","0.0438","","","0.1071","0.1138","","","","","","1.027","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029538","9.3437","0.0008","10.8094","0.0009","13.0215","0.0011","90","","104.564","0.001","90","","1272.91","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 B N2 O6 -","- C26 H31 B N2 O6 -","- C52 H62 B2 N4 O12 -","2","1","","Yu, Shaofang; Lindeman, Sergey; Tran, Chieu D.","Chiral ionic liquids: synthesis, properties, and enantiomeric recognition.","The Journal of organic chemistry","2008","73","7","2576","2591","10.1021/jo702368t","","","0.71073","MoKα","","0.0425","0.0384","","","0.1012","0.1041","","","","","","1.067","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029539","11.1924","0.0005","5.6653","0.0002","11.93","0.0006","90","","111.512","0.002","90","","703.77","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","Villamena 1595","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","","Han, Yongbin; Tuccio, Beatrice; Lauricella, Robert; Rockenbauer, Antal; Zweier, Jay L.; Villamena, Frederick A.","Synthesis and spin-trapping properties of a new spirolactonyl nitrone.","The Journal of organic chemistry","2008","73","7","2533","2541","10.1021/jo702434u","","x-ray","0.71073","MoKα","","0.0675","0.0369","","","0.0838","0.0946","","","","","","1.018","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029540","7.243","0.002","15.003","0.005","15.073","0.005","90","","94.955","0.006","90","","1631.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cu N4 O5 S2 -","- C12 H14 Cu0.955 N4 O5 S2 -","- C48 H56 Cu3.82 N16 O20 S8 -","4","1","","Han, Hoon; Park, Seong Byeong; Kim, Sang Kyu; Chang, Sukbok","Copper-nitrenoid formation and transfer in catalytic olefin aziridination utilizing chelating 2-pyridylsulfonyl moieties.","The Journal of organic chemistry","2008","73","7","2862","2870","10.1021/jo800134j","","","0.71073","MoKα","","0.1163","0.0608","","","0.1348","0.1561","","","","","","1.032","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029541","18.42","0.003","5.2227","0.0008","19.115","0.003","90","","92.776","0.006","90","","1836.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Thomson, Jennifer E.; Campbell, Craig D.; Concellón, Carmen; Duguet, Nicolas; Rix, Kathryn; Slawin, Alexandra M. Z.; Smith, Andrew D.","Probing the efficiency of N-heterocyclic carbene promoted O- to C-carboxyl transfer of oxazolyl carbonates.","The Journal of organic chemistry","2008","73","7","2784","2791","10.1021/jo702720a","","","1.54178","CuKα","","0.0734","0.0672","","","0.1427","0.1458","","","","","","1.296","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029542","11.8","0.007","12.725","0.007","12.731","0.007","90.911","0.008","97.551","0.008","104.729","0.008","1830.3","1.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl3 N O5 -","- C16 H16 Cl3 N O5 -","- C64 H64 Cl12 N4 O20 -","4","2","","Thomson, Jennifer E.; Campbell, Craig D.; Concellón, Carmen; Duguet, Nicolas; Rix, Kathryn; Slawin, Alexandra M. Z.; Smith, Andrew D.","Probing the efficiency of N-heterocyclic carbene promoted O- to C-carboxyl transfer of oxazolyl carbonates.","The Journal of organic chemistry","2008","73","7","2784","2791","10.1021/jo702720a","","","0.71073","MoKα","","0.1232","0.0918","","","0.2108","0.2365","","","","","","1.044","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029543","16.817","0.003","7.2309","0.0013","30.961","0.005","90","","90","","90","","3764.9","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C168 H168 N8 O40 -","8","1","","Thomson, Jennifer E.; Campbell, Craig D.; Concellón, Carmen; Duguet, Nicolas; Rix, Kathryn; Slawin, Alexandra M. Z.; Smith, Andrew D.","Probing the efficiency of N-heterocyclic carbene promoted O- to C-carboxyl transfer of oxazolyl carbonates.","The Journal of organic chemistry","2008","73","7","2784","2791","10.1021/jo702720a","","","1.54178","CuKα","","0.1078","0.0876","","","0.2081","0.2256","","","","","","1.111","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029544","23.525","0.005","14.298","0.003","18.395","0.004","90","","93.55","0.03","90","","6175","2","143","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H48 Cl4 O11 -","- C86 H48 Cl4 O11 -","- C344 H192 Cl16 O44 -","4","1","","Yang, Xiaobing; Huang, Shaohua; Jia, Zhenshan; Xiao, Zuo; Jiang, Zhongping; Zhang, Qianyan; Gan, Liangbing; Zheng, Bo; Yuan, Gu; Zhang, Shiwei","Reactivity of fullerene epoxide: preparation of fullerene-fused thiirane, tetrahydrothiazolidin-2-one, and 1,3-dioxolane.","The Journal of organic chemistry","2008","73","7","2518","2526","10.1021/jo7023587","","","0.71073","MoKα","","0.2033","0.0731","","","0.1278","0.1511","","","","","","0.986","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029545","23.477","0.005","13.864","0.003","19.873","0.004","90","","111.31","0.03","90","","6026","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84.5 H41 N O9 S4 -","- C84.5 H41 N O9 S4 -","- C338 H164 N4 O36 S16 -","4","1","","Yang, Xiaobing; Huang, Shaohua; Jia, Zhenshan; Xiao, Zuo; Jiang, Zhongping; Zhang, Qianyan; Gan, Liangbing; Zheng, Bo; Yuan, Gu; Zhang, Shiwei","Reactivity of fullerene epoxide: preparation of fullerene-fused thiirane, tetrahydrothiazolidin-2-one, and 1,3-dioxolane.","The Journal of organic chemistry","2008","73","7","2518","2526","10.1021/jo7023587","","","0.71073","MoKα","","0.1404","0.0575","","","0.1077","0.1184","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029546","8.73","0.002","13.248","0.003","16.912","0.004","90","","95.957","0.004","90","","1945.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br Cl2 -","- C23 H17 Br Cl2 -","- C92 H68 Br4 Cl8 -","4","1","","Kabalka, George W.; Yao, Min-Liang; Borella, Scott; Wu, Zhongzhi; Ju, Yu-Hong; Quick, Travis","Boron trihalide mediated alkyne-aldehyde coupling reactions: a mechanistic investigation.","The Journal of organic chemistry","2008","73","7","2668","2673","10.1021/jo702493j","","","0.71073","MoKα","","0.0375","0.0326","","","0.0963","0.1008","","","","","","1.056","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029547","8.148","0.002","10.579","0.003","17.328","0.005","74.484","0.012","80.766","0.015","88.909","0.016","1420.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N O7 Si -","- C26 H41 N O7 Si -","- C52 H82 N2 O14 Si2 -","2","1","","Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.","A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.","The Journal of organic chemistry","2008","73","7","2633","2640","10.1021/jo7024256","","","0.7107","MoKα","","0.09","0.071","","","0.153","0.164","","","","","","1.17","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029548","9.9985","0.0013","7.1946","0.0009","17.939","0.003","90","","94.453","0.004","90","","1286.6","0.3","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N O4 -","- C12 H14 Cl N O4 -","- C48 H56 Cl4 N4 O16 -","4","1","","Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.","A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.","The Journal of organic chemistry","2008","73","7","2633","2640","10.1021/jo7024256","","","0.7107","MoKα","","0.037","0.035","","","0.091","0.092","","","","","","1.08","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029549","22.637","0.003","5.4494","0.0006","29.986","0.003","90","","97.637","0.006","90","","3666.2","0.7","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.","A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.","The Journal of organic chemistry","2008","73","7","2633","2640","10.1021/jo7024256","","","0.71069","MoKα","","0.078","0.071","","","0.184","0.189","","","","","","1.17","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029550","10.362","0.003","12.88","0.004","14.775","0.004","76.806","0.014","75.382","0.014","83.256","0.015","1854","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","2","","Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.","A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.","The Journal of organic chemistry","2008","73","7","2633","2640","10.1021/jo7024256","","","0.7107","MoKα","","0.071","0.07","","","0.18","0.181","","","","","","1.13","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029551","11.8275","0.0009","17.1277","0.0014","9.6366","0.0008","90","","97.521","0.002","90","","1935.4","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.","A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.","The Journal of organic chemistry","2008","73","7","2633","2640","10.1021/jo7024256","","","0.71069","MoKα","","0.071","0.055","","","0.141","0.156","","","","","","1.04","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029552","9.733","0.001","11.5486","0.0006","14.5657","0.0011","69.626","0.012","79.534","0.015","66.374","0.012","1404.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N O7 Si -","- C26 H41 N O7 Si -","- C52 H82 N2 O14 Si2 -","2","1","","Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.","A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.","The Journal of organic chemistry","2008","73","7","2633","2640","10.1021/jo7024256","","","0.7107","MoKα","","0.052","0.048","","","0.123","0.126","","","","","","1.08","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029553","13.2687","0.0019","5.3827","0.0008","31.512","0.005","90","","99.945","0.009","90","","2216.8","0.6","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C108 H124 N4 O20 -","4","1","","Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T.","A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles.","The Journal of organic chemistry","2008","73","7","2633","2640","10.1021/jo7024256","","","0.71069","MoKα","","0.169","0.152","","","0.254","0.26","","","","","","1.42","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029554","33.874","0.0015","15.4808","0.0007","38.1685","0.0017","90","","94.394","0.001","90","","19956.6","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96.5 H115 Cl N12 O30 -","- C93.5 H108 Cl N12 O30 -","- C748 H864 Cl8 N96 O240 -","8","1","","Dey, Sanjeev K.; Lightner, David A.","Toward an amphiphilic bilirubin: the crystal structure of a bilirubin e-isomer.","The Journal of organic chemistry","2008","73","7","2704","2714","10.1021/jo702593x","","","0.71073","MoKα","","0.1506","0.0984","","","0.3061","0.3358","","","","","","1.225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029555","9.604","0.001","10.156","0.002","18.032","0.002","77.3","0.01","76.21","0.01","77.48","0.01","1641.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H13 F30 N O2 -","- C26 H13 F30 N O2 -","- C52 H26 F60 N2 O4 -","2","1","","Kütt, Agnes; Movchun, Valeria; Rodima, Toomas; Dansauer, Timo; Rusanov, Eduard B.; Leito, Ivo; Kaljurand, Ivari; Koppel, Juta; Pihl, Viljar; Koppel, Ivar; Ovsjannikov, Gea; Toom, Lauri; Mishima, Masaaki; Medebielle, Maurice; Lork, Enno; Röschenthaler, Gerd-Volker; Koppel, Ilmar A.; Kolomeitsev, Alexander A.","Pentakis(trifluoromethyl)phenyl, a sterically crowded and electron-withdrawing group: synthesis and acidity of pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline.","The Journal of organic chemistry","2008","73","7","2607","2620","10.1021/jo702513w","","","0.71073","MoKα","","0.0784","0.0461","","","0.1202","0.1414","","","","","","1.006","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029556","25.148","0.004","11.837","0.001","18.256","0.002","90","","111.18","0.01","90","","5067.3","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 F15 N3 -","- C22 H20 F15 N3 -","- C176 H160 F120 N24 -","8","1","","Kütt, Agnes; Movchun, Valeria; Rodima, Toomas; Dansauer, Timo; Rusanov, Eduard B.; Leito, Ivo; Kaljurand, Ivari; Koppel, Juta; Pihl, Viljar; Koppel, Ivar; Ovsjannikov, Gea; Toom, Lauri; Mishima, Masaaki; Medebielle, Maurice; Lork, Enno; Röschenthaler, Gerd-Volker; Koppel, Ilmar A.; Kolomeitsev, Alexander A.","Pentakis(trifluoromethyl)phenyl, a sterically crowded and electron-withdrawing group: synthesis and acidity of pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline.","The Journal of organic chemistry","2008","73","7","2607","2620","10.1021/jo702513w","","","0.71073","MoKα","","0.05","0.0372","","","0.0939","0.1015","","","","","","1.027","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029557","19.476","0.006","19.736","0.003","9.657","0.002","90","","92.12","0.02","90","","3709.4","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F15 N O -","- C15 H12 F15 N O -","- C120 H96 F120 N8 O8 -","8","2","","Kütt, Agnes; Movchun, Valeria; Rodima, Toomas; Dansauer, Timo; Rusanov, Eduard B.; Leito, Ivo; Kaljurand, Ivari; Koppel, Juta; Pihl, Viljar; Koppel, Ivar; Ovsjannikov, Gea; Toom, Lauri; Mishima, Masaaki; Medebielle, Maurice; Lork, Enno; Röschenthaler, Gerd-Volker; Koppel, Ilmar A.; Kolomeitsev, Alexander A.","Pentakis(trifluoromethyl)phenyl, a sterically crowded and electron-withdrawing group: synthesis and acidity of pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline.","The Journal of organic chemistry","2008","73","7","2607","2620","10.1021/jo702513w","","","0.71073","MoKα","","0.1197","0.0806","","","0.1996","0.2241","","","","","","1.047","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029558","13.3204","0.0016","13.5084","0.0016","27.105","0.003","90","","90","","90","","4877.2","1","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H72 O8 -","- C52 H72 O8 -","- C208 H288 O32 -","4","1","","Columbus, Ishay; Biali, Silvio E.","Calix[4]arene derivatives monosubstituted at all four methylene bridges.","The Journal of organic chemistry","2008","73","7","2598","2606","10.1021/jo702474n","","","0.71073","MoKα","","0.0993","0.097","","","0.2381","0.24","","","","","","1.208","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029559","16.951","0.003","16.951","0.003","20.365","0.007","90","","90","","90","","5852","2","173","1","173","1","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C62 H91 N O8 -","- C62 H88 N O8 -","- C248 H352 N4 O32 -","4","0.25","","Columbus, Ishay; Biali, Silvio E.","Calix[4]arene derivatives monosubstituted at all four methylene bridges.","The Journal of organic chemistry","2008","73","7","2598","2606","10.1021/jo702474n","","","0.71073","MoKα","","0.0931","0.0892","","","0.2062","0.2087","","","","","","1.277","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029560","21.5273","0.0015","19.4257","0.0013","27.1517","0.0019","90","","98.057","0.001","90","","11242.3","1.3","273","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Syn-5,10,15 triol-5,10,15-tris-(4-(1-naphthyl)-benzyl)- 10,15-dehydro-5H-diindeno [1,2-a; 1`, 2`-c]fluorene'","","- C79 H54 Cl2 O3 -","- C79 H54 Cl2 O3 -","- C632 H432 Cl16 O24 -","8","1","","Amsharov, Konstantin Yu; Jansen, Martin","A C78 fullerene precursor: toward the direct synthesis of higher fullerenes.","The Journal of organic chemistry","2008","73","7","2931","2934","10.1021/jo7027008","","x-ray","0.71073","MoKα","","0.1221","0.0988","","","0.2401","0.2662","","","","","","1.098","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029561","14.3622","0.0014","5.5496","0.0006","18.7361","0.0019","90","","95.155","0.001","90","","1487.3","0.3","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","compound 4","9-(2-methyl-benzyl)-9H-fluorene","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Casarini, Daniele; Lunazzi, Lodovico; Mazzanti, Andrea","Correlated rotations in benzylfluorene derivatives: structure, conformation, and stereodynamics.","The Journal of organic chemistry","2008","73","7","2811","2818","10.1021/jo7026917","","","0.71073","MoKα","","0.0507","0.0428","","","0.1071","0.1138","","","","","","1.022","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029562","10.134","0.002","15.891","0.003","11.545","0.002","90","","112.882","0.002","90","","1712.9","0.6","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","compound 2","9-(2,4,6-trimethylbenzyl)-9H-fluorene","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Casarini, Daniele; Lunazzi, Lodovico; Mazzanti, Andrea","Correlated rotations in benzylfluorene derivatives: structure, conformation, and stereodynamics.","The Journal of organic chemistry","2008","73","7","2811","2818","10.1021/jo7026917","","","0.71073","MoKα","","0.0562","0.0451","","","0.1247","0.1349","","","","","","1.038","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029563","8.2207","0.0007","10.1241","0.0009","14.7603","0.0013","90","","100.2","0.002","90","","1209.04","0.18","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 S -","- C25 H38 O3 S -","- C50 H76 O6 S2 -","2","1","","Belani, Jitendra D.; Rychnovsky, Scott D.","A concise synthesis of ent-Cholesterol.","The Journal of organic chemistry","2008","73","7","2768","2773","10.1021/jo702694g","","","0.71073","MoKα","","0.0339","0.0299","","","0.0747","0.0772","","","","","","1.037","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029564","6.1372","0.001","22.607","0.004","12.0984","0.0019","90","","102.067","0.009","90","","1641.5","0.5","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 F6 N6 O2 P -","- C12 H18 F6 N6 O2 P -","- C48 H72 F24 N24 O8 P4 -","4","1","","El-Faham, Ayman; Albericio, Fernando","Morpholine-based immonium and halogenoamidinium salts as coupling reagents in Peptide synthesis1.","The Journal of organic chemistry","2008","73","7","2731","2737","10.1021/jo702622c","","x-ray","0.7107","MoKα","","0.0888","0.0686","","","0.171","0.1857","","","","","","0.988","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029565","6.12","0.0001","23.991","0.0005","11.726","0.0003","90","","103.419","0.001","90","","1674.67","0.06","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 F6 N5 O2 P -","- C13 H18 F6 N5 O2 P -","- C52 H72 F24 N20 O8 P4 -","4","1","","El-Faham, Ayman; Albericio, Fernando","Morpholine-based immonium and halogenoamidinium salts as coupling reagents in Peptide synthesis1.","The Journal of organic chemistry","2008","73","7","2731","2737","10.1021/jo702622c","","x-ray","0.7107","MoKα","","0.0644","0.0412","","","0.0912","0.0978","","","","","","1.065","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029566","7.421","0.0009","10.8708","0.0013","11.1847","0.0013","90","","90","","90","","902.29","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N3 O3 -","- C8 H8 N3 O3 -","- C32 H32 N12 O12 -","4","1","","García-Egido, Eduardo; Fernandez-Suarez, Miryam; Muñoz, Luis","Synthesis of carbamoyl azides from primary amines and carbon dioxide under mild conditions.","The Journal of organic chemistry","2008","73","7","2909","2911","10.1021/jo702506v","","","0.71073","MoKα","","0.071","0.0583","","","0.1486","0.1561","","","","","","1.038","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029567","8.4106","0.0004","9.3443","0.0005","16.3224","0.0008","90","","95.741","0.001","90","","1276.36","0.11","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","García-Egido, Eduardo; Fernandez-Suarez, Miryam; Muñoz, Luis","Synthesis of carbamoyl azides from primary amines and carbon dioxide under mild conditions.","The Journal of organic chemistry","2008","73","7","2909","2911","10.1021/jo702506v","","","0.71073","MoKα","","0.092","0.0663","","","0.2041","0.2356","","","","","","1.067","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029568","9.5004","0.0003","8.2488","0.0002","17.0954","0.0004","90","","90.261","0.002","90","","1339.7","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Singh, C. B.; Ghosh, Harisadhan; Murru, Siva; Patel, Bhisma K.","Hypervalent iodine(III)-mediated regioselective N-acylation of 1,3-disubstituted thioureas.","The Journal of organic chemistry","2008","73","7","2924","2927","10.1021/jo702628g","","","0.71073","MoKα","","0.0938","0.0498","","","0.1217","0.1425","","","","","","1.045","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029569","12.6306","0.0002","14.2214","0.0003","8.1725","0.0001","90","","93.073","0.001","90","","1465.87","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Singh, C. B.; Ghosh, Harisadhan; Murru, Siva; Patel, Bhisma K.","Hypervalent iodine(III)-mediated regioselective N-acylation of 1,3-disubstituted thioureas.","The Journal of organic chemistry","2008","73","7","2924","2927","10.1021/jo702628g","","","0.71073","MoKα","","0.0645","0.0408","","","0.1036","0.1163","","","","","","1.039","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029570","19.837","0.004","14.112","0.003","5.1834","0.001","90","","90","","90","","1451","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","3,3-difluoro-4-iodo-2,5-diphenyl-2,3-dihydrofuran","3,3-difluoro-4-iodo-2,5-diphenyl-2,3-dihydrofuran","","- C16 H11 F2 I O -","- C16 H11 F2 I O -","- C64 H44 F8 I4 O4 -","4","1","","Arimitsu, Satoru; Jacobsen, Jesse M.; Hammond, Gerald B.","Synthesis of 2,4,5-trisubstituted 3-fluorofurans via sequential iodocyclization and cross-coupling of gem-difluorohomopropargyl alcohols.","The Journal of organic chemistry","2008","73","7","2886","2889","10.1021/jo800088y","","","0.71073","MoKα","","0.0612","0.0471","","","0.088","0.092","","","","","","1.064","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029571","11.835","0.001","14.828","0.001","24.294","0.001","82.56","0.01","86.99","0.01","78.87","0.01","4146.3","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H115 N11 O13 -","- C88 H107 N11 O13 -","- C176 H214 N22 O26 -","2","1","","Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan","Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.","The Journal of organic chemistry","2008","73","7","2687","2694","10.1021/jo702602w","","","0.71073","MoKα","","0.1428","0.0858","","","0.2392","0.2825","","","","","","1.039","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029572","31.54","0.006","24.658","0.005","30.77","0.006","90","","115.59","0.03","90","","21583","9","293","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C97.45 H74 Cl2.6 N18 O24.5 -","- C97.45 H74 Cl2.66 N18 O24.5 -","- C779.6 H592 Cl21.28 N144 O196 -","8","1","","Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan","Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.","The Journal of organic chemistry","2008","73","7","2687","2694","10.1021/jo702602w","","","1.54178","CuKα","","0.3417","0.3295","","","0.6892","0.6937","","","","","","2.141","","","","has coordinates","190534","2020-10-21","18:00:00",""
"4029573","10.236","0.002","11.502","0.003","16.042","0.004","105.7","0.02","102.39","0.02","96.23","0.02","1747.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H100 N4 O12 -","- C70 H100 N4 O12 -","- C70 H100 N4 O12 -","1","0.5","","Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan","Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.","The Journal of organic chemistry","2008","73","7","2687","2694","10.1021/jo702602w","","","1.5418","CuKα","","0.1202","0.0854","","","0.2442","0.2793","","","","","","1.045","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029574","7.0804","0.001","10.7575","0.0002","25.6538","0.0004","90","","97.0277","0.0007","90","","1939.3","0.3","423","2","423","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 O9 -","- C21 H21 N3 O6 -","- C84 H84 N12 O24 -","4","1","","Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan","Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.","The Journal of organic chemistry","2008","73","7","2687","2694","10.1021/jo702602w","","","0.71073","MoKα","","0.05","0.0396","","","0.1096","0.1162","","","","","","1.06","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029575","7.1053","0.0001","13.1643","0.0002","15.1583","0.0003","71.8697","0.0007","81.2798","0.0007","86.5898","0.0011","1331.77","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 N3 O6 -","- C26 H33 N4 O6 -","- C52 H66 N8 O12 -","2","1","","Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan","Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.","The Journal of organic chemistry","2008","73","7","2687","2694","10.1021/jo702602w","","","0.71073","MoKα","","0.0715","0.0574","","","0.1831","0.2116","","","","","","1.036","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029576","12.722","0.004","17.796","0.003","15.65","0.002","90","","107.43","0.01","90","","3380.5","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 N2 O6 -","- C35 H50 N2 O6 -","- C140 H200 N8 O24 -","4","1","","Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan","Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.","The Journal of organic chemistry","2008","73","7","2687","2694","10.1021/jo702602w","","","1.5418","CuKα","","0.0868","0.0601","","","0.1569","0.1799","","","","","","1.04","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029577","6.937","0.003","24.3618","0.001","43.7079","0.001","90","","94.102","0.01","90","","7368","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H98 N10 O8 -","- C76 H98 N10 O9 -","- C304 H392 N40 O36 -","4","1","","Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan","Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.","The Journal of organic chemistry","2008","73","7","2687","2694","10.1021/jo702602w","","","1.54178","CuKα","","0.1279","0.1031","","","0.3359","0.3651","","","","","","1.088","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029578","9.4654","0.0003","12.0269","0.0005","13.8261","0.0005","115.772","0.0017","93.782","0.003","101.877","0.003","1365.31","0.09","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H38 O9 -","- C29 H38 O9 -","- C58 H76 O18 -","2","1","","Tekavec, Thomas N.; Louie, Janis","Nickel-catalyzed cycloadditions of unsaturated hydrocarbons, aldehydes, and ketones.","The Journal of organic chemistry","2008","73","7","2641","2648","10.1021/jo702508w","","","0.71073","MoKα","","0.0944","0.0644","","","0.1533","0.1708","","","","","","1.078","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029579","8.403","0.0002","9.8777","0.0002","16.3375","0.0004","78.4712","0.0013","75.504","0.0012","79.3216","0.0012","1273.25","0.05","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H38 O9 -","- C25 H38 O9 -","- C50 H76 O18 -","2","1","","Tekavec, Thomas N.; Louie, Janis","Nickel-catalyzed cycloadditions of unsaturated hydrocarbons, aldehydes, and ketones.","The Journal of organic chemistry","2008","73","7","2641","2648","10.1021/jo702508w","","","0.71073","MoKα","","0.0638","0.0463","","","0.1106","0.1227","","","","","","1.025","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029580","9.4327","0.0005","13.3127","0.0007","16.31","0.0009","90","","97.61","0.002","90","","2030.08","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O5 -","- C23 H26 N2 O5 -","- C92 H104 N8 O20 -","4","1","","England, Dylan B.; Padwa, Albert","General access to the vinca and tacaman alkaloids using a Rh(II)-catalyzed cyclization/cycloaddition cascade.","The Journal of organic chemistry","2008","73","7","2792","2802","10.1021/jo8001003","","","1.54178","CuKα","","0.0328","0.0316","","","0.087","0.088","","","","","","1.023","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029581","8.4285","0.0002","13.9535","0.0001","11.5719","0.0003","90","","90.956","0.001","90","","1360.75","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Hsu, Day-Shin; Hsu, Po-Yi; Lee, Yen-Chun; Liao, Chun-Chen","Stereocontrolled synthesis of polyfunctionalized cis-decalins from 2-methoxyphenols: total syntheses of (+/-)-eremopetasidione, (+/-)-3 beta-angeloyloxyfuranoeremophilane, and (+/-)-3 beta-methacryloyloxyfuranoeremophilane.","The Journal of organic chemistry","2008","73","7","2554","2563","10.1021/jo702115x","","","0.71073","MoKα","","0.0846","0.0538","","","0.1395","0.1573","","","","","","1.035","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029583","6.1422","0.001","12.7937","0.0019","8.6322","0.0014","90","","105.27","0.011","90","","654.38","0.18","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","0.5","","Shibahara, Masahiko; Watanabe, Motonori; Iwanaga, Tetsuo; Matsumoto, Taisuke; Ideta, Keiko; Shinmyozu, Teruo","Synthesis, structure, and transannular pi-pi interaction of three- and four-layered [3.3]paracyclophanes.","The Journal of organic chemistry","2008","73","12","4433","4442","10.1021/jo8003309","","","1.54187","CuKα","","","0.0367","","","","0.0957","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029584","8.6915","0.0019","9.0317","0.0018","10.571","0.002","94.789","0.014","89.558","0.015","113.954","0.014","755.4","0.3","123.1","","","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H48 -","- C42 H48 -","- C42 H48 -","1","0.5","","Shibahara, Masahiko; Watanabe, Motonori; Iwanaga, Tetsuo; Matsumoto, Taisuke; Ideta, Keiko; Shinmyozu, Teruo","Synthesis, structure, and transannular pi-pi interaction of three- and four-layered [3.3]paracyclophanes.","The Journal of organic chemistry","2008","73","12","4433","4442","10.1021/jo8003309","","","1.54187","CuKα","","","0.0886","","","","0.2246","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029587","28.311","0.003","10.0361","0.0015","8.1588","0.0012","90","","90","","90","","2318.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C88 H96 Cl8 N24 O8 -","8","4","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1595","0.0808","","","0.1945","0.2428","","","","","","1.031","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029588","10.7516","0.0016","5.7473","0.0007","11.2884","0.0011","90","","104.7","0.014","90","","674.71","0.15","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C28 H28 N12 O2 -","2","1","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1105","0.0602","","","0.1188","0.1462","","","","","","0.985","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029589","16.973","0.006","6.849","0.002","18.923","0.007","90","","105.83","0.03","90","","2116.3","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N6 O6 -","- C18 H26 N6 O6 -","- C72 H104 N24 O24 -","4","2","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.2575","0.0666","","","0.1296","0.2207","","","","","","0.933","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029590","10.6543","0.0008","14.9406","0.0012","9.9564","0.0007","90","","104.191","0.008","90","","1536.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 O2 -","- C14 H20 N6 O2 -","- C56 H80 N24 O8 -","4","1","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1154","0.0639","","","0.1532","0.1823","","","","","","1.033","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029591","12.754","0.0004","6.03911","0.00017","19.9264","0.0007","90","","95.38","0.0015","90","","1528.03","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H56 O5 -","- C31 H56 O5 -","- C62 H112 O10 -","2","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","1.54186","CuKα","","0.0844","0.0564","","","0.1452","0.1772","","","","","","1.021","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029592","29.1632","0.0011","6.6782","0.0003","14.5294","0.0006","90","","98.666","0.001","90","","2797.4","0.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","0.71075","MoKα","","0.0388","0.036","","","0.095","0.0964","","","","","","1.052","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029593","14.9459","0.0004","19.7129","0.0005","36.9458","0.001","90","","90","","90","","10885.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H31 Cl2 F5 O9 -","- C79 H31 Cl2 F5 O9 -","- C632 H248 Cl16 F40 O72 -","8","1","","Liang, Sisi; Xu, Liang; Jia, Zhenshan; Gan, Liangbing","Pentafluorophenyl Transfer Reaction: Preparation of Pentafluorophenyl [60]Fullerene Adducts through Opening of Fullerene Epoxide Moiety with Trispentafluorophenylborane.","The Journal of organic chemistry","2014","79","12","5794","5798","10.1021/jo5009228","","","0.7107","MoKα","","0.0857","0.0615","","","0.1443","0.1589","","","","","","1.043","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029594","12.1532","0.00018","12.1532","0.00018","35.5177","0.0008","90","","90","","90","","5245.97","0.16","","","99.94","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C26 Br N2 O3 -","- C26 Br N2 O3 -","- C208 Br8 N16 O24 -","8","1","","Reeves, Jonathan T.; Lorenc, Chris; Camara, Kaddy; Li, Zhibin; Lee, Heewon; Busacca, Carl A.; Senanayake, Chris H.","Carbamoyl anion addition to nitrones.","The Journal of organic chemistry","2014","79","12","5895","5902","10.1021/jo500848a","","","1.54178","Cu","","0.0722","0.0673","","","","0.2038","","","","","","0.9885","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029595","5.9579","0.0004","8.2268","0.0007","29.991","0.002","90","","90","","90","","1469.99","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Dev, Dharm; Palakurthy, Nani Babu; Thalluri, Kishore; Chandra, Jyoti; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(2-nitrobenzenesulfonyloxyimino)acetate (o-NosylOXY): A Recyclable Coupling Reagent for Racemization-Free Synthesis of Peptide, Amide, Hydroxamate, and Ester.","The Journal of organic chemistry","2014","79","12","5420","5431","10.1021/jo500292m","","","0.71073","MoKα","","0.0994","0.0612","","","0.1567","0.1986","","","","","","0.917","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029600","10.603","0.002","14.746","0.003","10.89","0.002","90","","92.786","0.006","90","","1700.7","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H32 N2 O8 S -","- C40 H32 N2 O8 S -","- C80 H64 N4 O16 S2 -","2","1","","Mitra, Tapobrata; Jana, Saibal; Pandey, Sharmila; Bhattacharya, Prabuddha; Khamrai, Uttam K.; Anoop, Anakuthil; Basak, Amit","Asymmetric garratt-braverman cyclization: a route to axially chiral aryl naphthalene-amino Acid hybrids.","The Journal of organic chemistry","2014","79","12","5608","5616","10.1021/jo500771g","","","0.71073","MoKα","","0.1217","0.0519","","","0.0778","0.0976","","","","","","0.986","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4029601","8.8819","0.0017","13.355","0.003","16.688","0.003","102.679","0.005","97.844","0.006","90.512","0.005","1911.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O6 S -","- C22 H18 O6 S -","- C88 H72 O24 S4 -","4","2","","Mitra, Tapobrata; Jana, Saibal; Pandey, Sharmila; Bhattacharya, Prabuddha; Khamrai, Uttam K.; Anoop, Anakuthil; Basak, Amit","Asymmetric garratt-braverman cyclization: a route to axially chiral aryl naphthalene-amino Acid hybrids.","The Journal of organic chemistry","2014","79","12","5608","5616","10.1021/jo500771g","","","0.71073","MoKα","","0.0935","0.0628","","","0.155","0.1735","","","","","","1.052","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029602","32.815","0.008","11.058","0.003","25.545","0.006","90","","124.773","0.004","90","","7614","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cu F6 N4 P -","- C42 H48 Cu F6 N4 P -","- C336 H384 Cu8 F48 N32 P8 -","8","1","","Tran, Anh T.; Liu, Peng; Houk, K. N.; Nicholas, Kenneth M.","Regioselectivity in the cu(i)-catalyzed [4 + 2]-cycloaddition of 2-nitrosopyridine with unsymmetrical dienes.","The Journal of organic chemistry","2014","79","12","5617","5626","10.1021/jo5005907","","","0.71073","MoKα","","0.0702","0.0524","","","0.1151","0.1249","","","","","","1.007","","","","has coordinates","288477","2023-12-21","15:52:16",""
"4029603","10.7584","0.0003","41.2284","0.0011","9.1427","0.0002","90","","90","","90","","4055.26","0.18","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C224 H144 N48 -","16","1","","Li, Chao; Zhang, Wen-Ting; Wang, Xiang-Shan","CuI-Catalyzed C-N Bond Formation and Cleavage for the Synthesis of Benzimidazo[1,2-a]quinazoline Derivatives.","The Journal of organic chemistry","2014","79","12","5847","5851","10.1021/jo5007398","","","0.71073","MoKα","","0.0315","0.0273","","","0.0658","0.0688","","","","","","1.086","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029604","9.8867","0.0005","5.6677","0.0003","11.9084","0.0006","90","","98.44","0.005","90","","660.06","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 I O2 -","- C15 H11 I O2 -","- C30 H22 I2 O4 -","2","1","","Kong, Wei; Che, Chao; Wu, Jialin; Ma, Liai; Zhu, Gangguo","Pd-Catalyzed Regio- and Stereoselective Addition of Boronic Acids to Silylacetylenes: A Stereodivergent Assembly of β,β-Disubstituted Alkenylsilanes and Alkenyl Halides.","The Journal of organic chemistry","2014","79","12","5799","5805","10.1021/jo500925p","","","0.71073","MoKα","","0.0513","0.0409","","","0.0776","0.0851","","","","","","1.005","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029605","9.981","0.013","8.448","0.01","15.97","0.02","90","","103.21","0.02","90","","1311","3","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Ishihara, Jun; Tsuru, Hiroaki; Hatakeyama, Susumi","Total synthesis of (-)-dihydrosporothriolide utilizing an indium-mediated reformatsky-claisen rearrangement.","The Journal of organic chemistry","2014","79","12","5908","5913","10.1021/jo5008948","","","0.71075","MoKα","","","0.0386","","","","0.083","","","","","","0.995","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029606","10.8805","0.0002","17.9631","0.0006","10.2119","0.0007","90","","110.147","0.008","90","","1873.77","0.18","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-(R)-tert-butyl 2-((R)-3-acetyl-3,4-dihydroquinazolin-4-yl)-5-oxo-2,5 -dihydro-1H-pyrrole-1-carboxylate","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C76 H84 N12 O16 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0523","0.0434","","","0.1099","0.1376","","","","","","1.149","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029607","8.1942","0.0002","14.4078","0.0005","10.1791","0.0007","90","","96.39","0.007","90","","1194.28","0.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-acetyl-1,2-dihydrophthalazin-1-yl)furan-2(5H)-one","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0736","0.0551","","","0.1457","0.1825","","","","","","1.209","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029608","12.0964","0.0008","12.2829","0.0004","10.317","0.0002","90","","90","","90","","1532.89","0.12","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-(5-acetyl-5,6-dihydrophenanthridin-6-yl)furan-2(5H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0366","0.0345","","","0.0866","0.0896","","","","","","1.061","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029609","32.2117","0.0018","9.1944","0.0004","23.1388","0.0016","90","","132.2","0.009","90","","5076.7","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R)-tert-butyl 2-((R)-5-acetyl-5,6-dihydrophenanthridin-6-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate compound with deuterated chloroform (1:1)","","- C25 H24 Cl3 D N2 O4 -","- C25 H24 Cl3 D N2 O4 -","- C200 H192 Cl24 D8 N16 O32 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0944","0.057","","","0.153","0.1881","","","","","","1.04","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029610","11.2819","0.0003","16.3676","0.0004","23.2672","0.0016","90","","90","","90","","4296.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rac-(R)-tert-butyl 2-((R)-2-acetyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0888","0.0661","","","0.167","0.1877","","","","","","1.133","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029611","9.6682","0.0003","7.7791","0.0003","21.5345","0.0015","90","","98.014","0.007","90","","1603.79","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R)-methyl 6-((R)-5-oxo-2,5-dihydrofuran-2-yl)phenanthridine-5(6H)-carboxylate","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0814","0.0506","","","0.1425","0.1824","","","","","","1.098","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029612","9.5063","0.0008","15.9513","0.0014","26.92","0.002","90","","90","","90","","4082.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,5-dimethyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C40 H17 F15 N4 -","- C40 H17 F15 N4 -","- C160 H68 F60 N16 -","4","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","0.71073","MoKα","","0.1103","0.067","","","0.0688","0.0733","","","","","","1.451","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029613","8.3212","0.0009","14.29","0.0015","24.645","0.003","103.203","0.007","95.918","0.007","103.877","0.005","2730.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5-diphenyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C55 H26 F15 N5 -","- C55 H26 F15 N5 -","- C110 H52 F30 N10 -","2","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","1.54178","CuKα","","0.066","0.0628","","","0.2435","0.2484","","","","","","2.237","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029614","27.4367","0.0011","8.4546","0.0004","43.997","0.0017","90","","96.863","0.003","90","","10132.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-methyl-5-phenyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C45 H19 F15 N4 -","- C45 H19 F15 N4 -","- C360 H152 F120 N32 -","8","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","1.54178","CuKα","","0.1094","0.0769","","","0.198","0.215","","","","","","0.871","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029615","11.832","0.002","19.09","0.007","15.757","0.004","90","","100.83","0.02","90","","3495.7","1.7","296","0.1","296","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","","Zhou, Nini; Xie, Tao; Liu, Lin; Xie, Zhixiang","Cu/Mn Co-oxidized Cyclization for the Synthesis of Highly Substituted Pyrrole Derivatives from Amino Acid Esters: A Strategy for the Biomimetic Syntheses of Lycogarubin C and Chromopyrrolic Acid.","The Journal of organic chemistry","2014","79","13","6061","6068","10.1021/jo500740w","","","0.7107","MoKα","","0.1681","0.0851","","","0.1973","0.295","","","","","","0.947","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029616","19.3293","0.0013","4.6077","0.0003","14.1682","0.0009","90","","110.229","0.003","90","","1184.04","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AS-409","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","","Dürüst, Yaşar; Sağırlı, Akın","Microwave-Assisted Coupling Reaction of N-Aryl Sydnones with 2-Nitromethylenethiazolidine: Unexpected Formation of (Z)-2-(Nitro((E)-p-substitutedphenyldiazenyl)methylene)thiazolidines.","The Journal of organic chemistry","2014","79","13","6380","6384","10.1021/jo5010229","","","0.71073","MoKα","","0.0543","0.0379","","","0.0847","0.0927","","","","","","1.036","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029617","9.1941","0.0014","6.6988","0.001","13.353","0.002","90","","98.298","0.002","90","","813.8","0.2","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Bayir, Ali; Brewer, Matthias","Fragmentation of Bicyclic γ-Silyloxy-β-hydroxy-α-diazolactones as an Approach to Ynolides.","The Journal of organic chemistry","2014","79","13","6037","6046","10.1021/jo500634d","","","0.71073","MoKα","","0.0424","0.0386","","","0.1071","0.1111","","","","","","1.071","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029618","13.084","0.003","11.765","0.002","14.203","0.003","90","","105.26","0.03","90","","2109.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O3 -","- C29 H22 O3 -","- C116 H88 O12 -","4","1","","Zhu, Shifa; Huang, Hua; Zhang, Zhicai; Ma, Tongmei; Jiang, Huanfeng","Mechanistic insight into transition metal-catalyzed reaction of enynal/enynone with alkenes: metal-dependent reaction pathway.","The Journal of organic chemistry","2014","79","13","6113","6122","10.1021/jo500838x","","","0.71073","MoKα","","0.055","0.0411","","","0.1345","0.1487","","","","","","1.058","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029620","12.4543","0.0004","12.4735","0.0005","12.4773","0.0004","66.229","0.001","66.251","0.002","85.637","0.001","1615.04","0.1","213.1","","","","","","","","","","","3","P 1","P 1","1","","","","- C36 H50 O4 -","- C36 H50 O4 -","- C72 H100 O8 -","2","2","","Mori, Tadashi; Grimme, Stefan; Inoue, Yoshihisa","A combined experimental and theoretical study on the conformation of multiarmed chiral aryl ethers.","The Journal of organic chemistry","2007","72","18","6998","7010","10.1021/jo071216n","","","0.7107","MoKα","","","0.074","","","","0.09","","","","","","2.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029621","11.9777","0.0003","19.4202","0.0004","19.8808","0.0006","90","","92.996","0.0007","90","","4618.1","0.2","213.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C51 H72 O6 -","- C51 H72 O6 -","- C204 H288 O24 -","4","2","","Mori, Tadashi; Grimme, Stefan; Inoue, Yoshihisa","A combined experimental and theoretical study on the conformation of multiarmed chiral aryl ethers.","The Journal of organic chemistry","2007","72","18","6998","7010","10.1021/jo071216n","","","0.7107","MoKα","","","0.076","","","","0.09","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029623","5.6255","0.0017","16.167","0.005","23.905","0.008","90","","93","0.006","90","","2171.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cl4 O8 -","- C48 H38 Cl4 O8 -","- C96 H76 Cl8 O16 -","2","0.5","","Alcaide, Benito; Almendros, Pedro; Quirós, M Teresa; Lázaro, Carlos; Torres, M. Rosario","Three-Step Metal-Promoted Allene-Based Preparation of Bis(heterocyclic) Cyclophanes from Carbonyl Compounds.","The Journal of organic chemistry","2014","79","13","6244","6255","10.1021/jo500993x","","","0.71073","MoKα","","0.2172","0.0605","","","0.1225","0.1501","","","","","","0.997","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029624","8.6543","0.0006","12.7816","0.0009","29.198","0.002","90","","90","","90","","3229.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 N2 O8 -","- C34 H40 N2 O8 -","- C136 H160 N8 O32 -","4","1","","Alcaide, Benito; Almendros, Pedro; Quirós, M Teresa; Lázaro, Carlos; Torres, M. Rosario","Three-Step Metal-Promoted Allene-Based Preparation of Bis(heterocyclic) Cyclophanes from Carbonyl Compounds.","The Journal of organic chemistry","2014","79","13","6244","6255","10.1021/jo500993x","","","0.71073","MoKα","","0.1333","0.0421","","","0.058","0.0685","","","","","","0.998","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029625","9.4436","0.0015","9.3132","0.0016","17.109","0.003","90","","93.774","0.004","90","","1501.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F O3 S -","- C16 H15 F O3 S -","- C64 H60 F4 O12 S4 -","4","1","","Wang, Wengui; Shen, Haiming; Wan, Xiao-Long; Chen, Qing-Yun; Guo, Yong","Enantioselective Pd-Catalyzed Allylation of Acyclic α-Fluorinated Ketones.","The Journal of organic chemistry","2014","79","13","6347","6353","10.1021/jo500923u","","","0.71073","MoKα","","0.0716","0.0463","","","0.1117","0.1266","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029626","8.9439","0.0015","11.99","0.002","14.673","0.002","107.716","0.012","96.599","0.013","100.669","0.013","1448.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O7 S2 -","- C28 H34 N2 O7 S2 -","- C56 H68 N4 O14 S4 -","2","1","","Beiginejad, Hadi; Nematollahi, Davood","Electrochemical synthesis of sulfonamide derivatives based on the oxidation of 2,5-diethoxy-4-morpholinoaniline in the presence of arylsulfinic acids.","The Journal of organic chemistry","2014","79","13","6326","6329","10.1021/jo500812d","","","0.71073","MoKα","","0.0912","0.0851","","","0.1918","0.1992","","","","","","1.573","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029627","6.3618","0.0004","14.8963","0.0013","26.543","0.002","90","","90","","90","","2515.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N5 O7 -","- C23 H29 N5 O7 -","- C92 H116 N20 O28 -","4","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0972","0.0466","","","0.0759","0.0873","","","","","","0.959","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029628","11.3992","0.0007","9.8228","0.0004","19.0001","0.0012","90","","94.297","0.002","90","","2121.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N10 O11 -","- C37 H45 N10 O11 -","- C74 H90 N20 O22 -","2","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0801","0.0534","","","0.1356","0.1504","","","","","","1.018","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029629","8.7493","0.0012","9.6705","0.0014","10.0013","0.0014","81.549","0.002","65.834","0.002","75.133","0.002","745.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Br N4 O -","- C14 H23 Br N4 O -","- C28 H46 Br2 N8 O2 -","2","1","","Semakin, Artem N.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Urotropine isomer (1,4,6,10-tetraazaadamantane): synthesis, structure, and chemistry.","The Journal of organic chemistry","2014","79","13","6079","6086","10.1021/jo5007703","","","0.71073","MoKα","","0.0366","0.0287","","","0.0661","0.0691","","","","","","1.007","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029630","11.10561","0.00017","12.50496","0.00019","14.4266","0.0002","90","","97.9938","0.0014","90","","1984.03","0.05","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N4 S Zn -","- C19 H18 Cl2 N4 S Zn -","- C76 H72 Cl8 N16 S4 Zn4 -","4","1","","Vonlanthen, Mireille; Connelly, Colleen M.; Deiters, Alexander; Linden, Anthony; Finney, Nathaniel S.","Thiourea-based fluorescent chemosensors for aqueous metal ion detection and cellular imaging.","The Journal of organic chemistry","2014","79","13","6054","6060","10.1021/jo500710g","","","0.71073","MoKα","","0.0335","0.026","","","0.0585","0.0627","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029631","5.2823","0.0005","43.495","0.004","9.5276","0.0006","90","","119.975","0.004","90","","1896.2","0.3","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 Br F4 O2 -","- C24 H11 Br F4 O2 -","- C96 H44 Br4 F16 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.1088","0.0894","","","0.179","0.1853","","","","","","1.272","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029632","9.8898","0.0007","26.9161","0.0019","7.5176","0.0005","90","","97.266","0.001","90","","1985.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 Br F3 O2 -","- C25 H14 Br F3 O2 -","- C100 H56 Br4 F12 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0656","0.0476","","","0.1044","0.111","","","","","","1.076","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029633","10.581","0.0015","25.437","0.004","7.4819","0.0011","90","","101.72","0.002","90","","1971.8","0.5","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 F4 I O2 -","- C24 H11 F4 I O2 -","- C96 H44 F16 I4 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0421","0.0312","","","0.0649","0.0689","","","","","","1.066","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029634","7.4366","0.0004","10.2527","0.0005","13.9827","0.0007","102.272","0.001","101.077","0.001","102.529","0.001","984.72","0.09","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H14 Cl F3 O2 -","- C25 H14 Cl F3 O2 -","- C50 H28 Cl2 F6 O4 -","2","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.042","0.0327","","","0.0788","0.0835","","","","","","1.035","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029635","11.1682","0.0011","7.7306","0.0008","21.808","0.002","90","","101.726","0.002","90","","1843.5","0.3","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 Br F4 N -","- C25 H10 Br F4 N -","- C100 H40 Br4 F16 N4 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0316","0.0258","","","0.0654","0.0678","","","","","","1.027","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029636","8.1996","0.0003","11.0966","0.0005","21.8061","0.0009","76.617","0.001","80.379","0.001","88.778","0.001","1902.75","0.14","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H10 F4 I N -","- C25 H10 F4 I N -","- C100 H40 F16 I4 N4 -","4","2","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0217","0.0194","","","0.0443","0.0455","","","","","","1.074","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029637","8.357","0.0005","10.5669","0.0009","10.885","0.0007","90","","90","","90","","961.23","0.12","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Takagi, Koji; Al-Amin, Mohammad; Hoshiya, Naoyuki; Wouters, Johan; Sugimoto, Hiroshi; Shiro, Yoshitsugu; Fukuda, Hayato; Shuto, Satoshi; Arisawa, Mitsuhiro","Palladium-Nanoparticle-Catalyzed 1,7-Palladium Migration Involving C-H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of N1-Arylbenzotriazoles and an Evaluation of Their Inhibitory Activity toward Indoleamine 2,3-Dioxygenase.","The Journal of organic chemistry","2014","79","13","6366","6371","10.1021/jo5009838","","","0.71073","MoKα","","0.0296","0.0286","","","0.0765","0.0772","","","","","","1.069","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029638","8.048","0.002","8.856","0.002","11.42","0.003","83.591","0.005","83.761","0.005","69.162","0.005","753.9","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0816","0.0646","","","0.1765","0.189","","","","","","1.063","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029639","11.8725","0.0016","13.22","0.0017","12.4188","0.0016","90","","102.876","0.003","90","","1900.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0591","0.0428","","","0.1021","0.1101","","","","","","1.035","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029640","11.919","0.003","12.417","0.003","14.246","0.004","65.888","0.005","68.574","0.005","80.752","0.005","1791.3","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","2","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.1056","0.0893","","","0.2455","0.2626","","","","","","1.019","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029641","17.8867","0.0014","13.1372","0.0011","7.7251","0.0006","90","","90.981","0.002","90","","1815","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0751","0.0497","","","0.1263","0.1361","","","","","","1.158","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029642","17.3561","0.0017","7.9958","0.0008","12.4699","0.0013","90","","115.147","0.001","90","","1566.5","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","0.5","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0516","0.0451","","","0.1173","0.1229","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029643","12.5816","0.0005","15.5161","0.0006","18.1947","0.0007","90","","97.332","0.001","90","","3522.9","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","2","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0721","0.0459","","","0.1132","0.1272","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029644","12.3999","0.0005","4.6759","0.0002","22.7022","0.0009","90","","105.674","0.002","90","","1267.34","0.09","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0545","0.0457","","","0.1261","0.132","","","","","","1.104","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029645","7.693","0.0003","11.2962","0.0005","11.8573","0.0005","74.464","0.001","71.929","0.001","83.348","0.001","943.2","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O4 -","- C25 H18 O4 -","- C50 H36 O8 -","2","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0543","0.0408","","","0.0978","0.1045","","","","","","1.051","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029646","31.285","0.005","12.3872","0.0019","9.6298","0.0017","90","","104.768","0.005","90","","3608.6","1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0862","0.0541","","","0.128","0.1423","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029647","9.6418","0.0003","27.8197","0.0007","13.1253","0.0003","90","","109.997","0.001","90","","3308.37","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C136 H152 Br8 O40 -","8","2","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.048","0.0472","","","0.136","0.1369","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029648","8.5989","0.0001","7.9316","0.0001","25.5665","0.0003","90","","91.71","0.001","90","","1742.94","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.0636","0.0381","","","0.0844","0.089","","","","","","0.803","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029649","7.69","0.0003","10.0039","0.0005","11.5864","0.0008","69.737","0.001","83.163","0.001","80.305","0.001","822.46","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.0409","0.04","","","0.1061","0.1068","","","","","","1.079","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029650","17.184","0.003","10.142","0.002","12.177","0.002","90","","106.912","0.002","90","","2030.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0688","0.0516","","","0.1443","0.1569","","","","","","1.004","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029651","9.0763","0.0005","12.2352","0.0005","12.0706","0.0007","90","","107.042","0.006","90","","1281.59","0.12","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0532","0.0395","","","0.0909","0.0987","","","","","","1.046","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029652","7.924","0.0005","10.1644","0.0008","11.0285","0.0008","110.602","0.007","110.187","0.007","95.953","0.006","754.32","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0625","0.0437","","","0.0967","0.1097","","","","","","1.036","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029653","12.3245","0.0005","12.522","0.0006","16.8567","0.0008","99.594","0.0014","110.951","0.0013","104.075","0.0014","2262.27","0.18","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H49 Cl3 N5 Na O6 -","- C43 H49 Cl3 N5 Na O6 -","- C86 H98 Cl6 N10 Na2 O12 -","2","1","","Lee, Jung Ha; Lee, Ji Hyun; Choi, Ye Rin; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Synthetic K+/Cl—Selective Symporter across a Phospholipid Membrane","The Journal of Organic Chemistry","2014","79","14","6403","","10.1021/jo501145z","","","0.71073","MoKα","","0.1505","0.0776","","","0.1901","0.2289","","","","","","1.021","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029654","9.935","0.009","10.275","0.009","13.397","0.012","101.548","0.016","93.919","0.018","92.219","0.017","1335","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 N4 O2 S -","- C27 H36 N4 O2 S -","- C54 H72 N8 O4 S2 -","2","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.2527","0.0971","","","0.1596","0.2173","","","","","","0.985","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029655","14.027","0.006","14.923","0.005","22.626","0.01","90","","90","","90","","4736","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C216 H200 N24 O24 S8 -","8","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1842","0.0544","","","0.0697","0.0855","","","","","","0.953","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029656","6.282","0.015","25.09","0.06","6.268","0.015","90","","94.09","0.03","90","","985","4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Liang, Demin; Zou, Yue; Wang, Quanrui; Goeke, Andreas","Sequential Diels-Alder Reaction/Rearrangement Sequence: Synthesis of Functionalized Bicyclo[2.2.1]heptane Derivatives and Revision of Their Relative Configuration.","The Journal of organic chemistry","2014","79","14","6726","6731","10.1021/jo500942a","","","0.71073","MoKα","","0.0689","0.0529","","","0.1495","0.1654","","","","","","1.102","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029657","6.082","0.003","11.612","0.005","12.591","0.005","66.576","0.004","79.752","0.004","88.139","0.004","802.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Liang, Demin; Zou, Yue; Wang, Quanrui; Goeke, Andreas","Sequential Diels-Alder Reaction/Rearrangement Sequence: Synthesis of Functionalized Bicyclo[2.2.1]heptane Derivatives and Revision of Their Relative Configuration.","The Journal of organic chemistry","2014","79","14","6726","6731","10.1021/jo500942a","","","0.71073","MoKα","","0.0586","0.0478","","","0.1386","0.1487","","","","","","1.059","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029658","7.9306","0.0013","15.123","0.002","12.1926","0.0019","90","","105.512","0.002","90","","1409","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[isoquinyl-br]","","","- C19 H12 Br N -","- C19 H12 Br N -","- C76 H48 Br4 N4 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0386","0.0319","","","0.0904","0.0927","","","","","","1.078","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029659","21.461","0.002","7.9205","0.0008","16.9348","0.0016","90","","103.402","0.001","90","","2800.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[salicyl-br]","","","- C18 H12 Br O2 -","- C18 H12 Br O2 -","- C144 H96 Br8 O16 -","8","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0434","0.0354","","","0.1036","0.1062","","","","","","1.062","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029660","12.362","0.003","14.611","0.003","19.273","0.004","90","","90","","90","","3481.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","imine","","","- C41 H31 Cl3 N2 O3 -","- C41 H31 Cl3 N2 O3 -","- C164 H124 Cl12 N8 O12 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0545","0.0401","","","0.084","0.089","","","","","","1.049","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029661","9.3196","0.0008","14.6659","0.0012","15.9831","0.0013","90","","90","","90","","2184.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[anthracene]","","","- C32 H22 O2 -","- C32 H22 O2 -","- C128 H88 O8 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0399","0.0343","","","0.0849","0.0872","","","","","","1.011","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029662","9.841","0.005","10.425","0.005","19.35","0.01","78.097","0.007","89.125","0.007","73.819","0.007","1863.6","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Lu, Xuefeng; Fan, Suhua; Wu, Jinhong; Jia, Xiaowei; Wang, Zhong-Sheng; Zhou, Gang","Controlling the charge transfer in d-a-d chromophores based on pyrazine derivatives.","The Journal of organic chemistry","2014","79","14","6480","6489","10.1021/jo500856k","","","0.71073","MoKα","","0.0879","0.0604","","","0.1717","0.1858","","","","","","1.004","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029663","10.685","0.002","11.672","0.003","15.495","0.003","71.759","0.003","83.525","0.004","79.61","0.004","1802","0.7","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Lu, Xuefeng; Fan, Suhua; Wu, Jinhong; Jia, Xiaowei; Wang, Zhong-Sheng; Zhou, Gang","Controlling the charge transfer in d-a-d chromophores based on pyrazine derivatives.","The Journal of organic chemistry","2014","79","14","6480","6489","10.1021/jo500856k","","","0.71073","MoKα","","0.0875","0.0586","","","0.1794","0.1999","","","","","","1.043","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029664","10.2238","0.0017","16.902","0.003","10.8891","0.0018","90","","94.605","0.003","90","","1875.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis Kumar; Bhattacharyya, Aditya","Syntheses of Imidazo-, Oxa-, and Thiazepine Ring Systems via Ring-Opening of Aziridines/Cu-Catalyzed C-N/C-C Bond Formation.","The Journal of organic chemistry","2014","79","14","6468","6479","10.1021/jo500888j","","","0.71073","MoKα","","0.081","0.0559","","","0.1352","0.2015","","","","","","1.194","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029665","10.604","0.005","10.677","0.005","11.678","0.005","66.35","0.005","80.173","0.005","74.336","0.005","1163.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O2 S -","- C29 H26 N2 O2 S -","- C58 H52 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Sahoo, Ashis Kumar; Bhattacharyya, Aditya","Syntheses of Imidazo-, Oxa-, and Thiazepine Ring Systems via Ring-Opening of Aziridines/Cu-Catalyzed C-N/C-C Bond Formation.","The Journal of organic chemistry","2014","79","14","6468","6479","10.1021/jo500888j","","","0.71069","MoKα","","0.0531","0.0394","","","0.0903","0.0975","","","","","","1.02","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029666","9.5758","0.0006","11.8423","0.0007","13.6132","0.0009","99.878","0.003","91.632","0.003","100.298","0.003","1493.56","0.16","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 N7 Ni -","- C40 H27 N7 Ni -","- C80 H54 N14 Ni2 -","2","1","","Devillers, Charles H.; Hebié, Seydou; Lucas, Dominique; Cattey, Hélène; Clément, Sébastien; Richeter, Sébastien","Aromatic Nucleophilic Substitution (SNAr) of meso-Nitroporphyrin with Azide and Amines as an Alternative Metal Catalyst Free Synthetic Approach To Obtain meso-N-Substituted Porphyrins.","The Journal of organic chemistry","2014","79","14","6424","6434","10.1021/jo5005586","","x-ray","0.71073","MoKα","","0.0459","0.0329","","","0.0765","0.0823","","","","","","1.024","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029667","10.1608","0.0005","13.0894","0.0007","15.4826","0.0008","75.664","0.002","72.801","0.002","86.751","0.002","1905.53","0.17","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H78 N10 Ni2 O2 -","- C101 H78 N10 Ni2 O2 -","- C101 H78 N10 Ni2 O2 -","1","0.5","","Devillers, Charles H.; Hebié, Seydou; Lucas, Dominique; Cattey, Hélène; Clément, Sébastien; Richeter, Sébastien","Aromatic Nucleophilic Substitution (SNAr) of meso-Nitroporphyrin with Azide and Amines as an Alternative Metal Catalyst Free Synthetic Approach To Obtain meso-N-Substituted Porphyrins.","The Journal of organic chemistry","2014","79","14","6424","6434","10.1021/jo5005586","","x-ray","0.71073","MoKα","","0.0454","0.0376","","","0.0976","0.1031","","","","","","1.031","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029668","7.2094","0.0009","16.0529","0.0017","20.751","0.002","72.471","0.003","89.382","0.003","79.536","0.003","2249.5","0.4","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H40 F4 O2 S6 -","- C54 H40 F4 O2 S6 -","- C108 H80 F8 O4 S12 -","2","1","","Ohtake, Toshihiro; Tanaka, Hideki; Matsumoto, Tetsuro; Kimura, Mutsumi; Ohta, Akira","Redox-Driven Molecular Switches Consisting of Bis(benzodithiolyl)bithienyl Scaffold and Mesogenic Moieties: Synthesis and Complexes with Liquid Crystalline Polymer.","The Journal of organic chemistry","2014","79","14","6590","6602","10.1021/jo501072u","","x-ray","0.71073","MoKα","","0.0602","0.0499","","","0.1503","0.1604","","","","","","0.908","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029669","13.782","0.003","19.442","0.004","21.953","0.004","88.24","0.03","76.49","0.03","86.79","0.03","5710","2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H61.26 N0 O6 -","- C67 H61.35 O6 -","- C268 H245.4 O24 -","4","2","","Tominaga, Masahide; Ohara, Kazuaki; Yamaguchi, Kentaro; Azumaya, Isao","Hollow sphere formation from a three-dimensional structure composed of an adamantane-based cage.","The Journal of organic chemistry","2014","79","14","6738","6742","10.1021/jo500989c","","","0.8","Synchrotron","","0.1404","0.0914","","","0.2486","0.2955","","","","","","1.023","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029670","6.801","0.0002","16.1651","0.0005","22.3501","0.0008","90","","90","","90","","2457.14","0.14","123","2","123","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C30 H22 Br2 O4 -","- C30 H22 Br2 O4 -","- C120 H88 Br8 O16 -","4","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0515","0.0389","","","0.0826","0.0867","","","","","","0.996","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029671","11.6253","0.0002","11.6253","0.0002","9.0313","0.0002","90","","90","","120","","1057.03","0.03","123","2","123","2","","","","","","","","3","P 32","P 32","145","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C48 H42 I6 -","3","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0244","0.0238","","","0.0588","0.059","","","","","","1.088","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029672","33.742","0.002","7.9547","0.0003","9.8768","0.0007","90","","97.566","0.002","90","","2627.9","0.3","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0572","0.0382","","","0.0789","0.0842","","","","","","0.937","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029673","17.9928","0.0015","7.7886","0.0007","20.839","0.0019","90","","90","","90","","2920.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","Roy, Rimi; Rakshit, Soumyadipta; Bhowmik, Tanmoy; Khan, Sagar; Ghatak, Avishek; Bhar, Sanjay","Substituted 3-E-Styryl-2H-chromenes and 3-E-Styryl-2H-thiochromenes: Synthesis, Photophysical Studies, Anticancer Activity, and Exploration to Tricyclic Benzopyran Skeleton.","The Journal of organic chemistry","2014","79","14","6603","6614","10.1021/jo5011125","","","0.71073","MoKα","","0.0915","0.0484","","","0.1071","0.1251","","","","","","1.016","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029674","8.8486","0.0002","21.2189","0.0006","19.1113","0.0006","90","","105.009","0.001","90","","3465.88","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 Au N3 O -","- C37 H44 Au N3 O -","- C148 H176 Au4 N12 O4 -","4","1","","Jeong, Yunkyung; Kim, Bom-I; Lee, Jae Kyun; Ryu, Jae-Sang","Direct Synthesis of 4-Fluoroisoxazoles through Gold-Catalyzed Cascade Cyclization-Fluorination of 2-Alkynone O-Methyl Oximes.","The Journal of organic chemistry","2014","79","14","6444","6455","10.1021/jo5008702","","","0.71075","MoKα","","0.0291","0.0201","","","0.046","0.0484","","","","","","1.029","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029675","6.226","0.0003","8.3026","0.0003","28.059","0.0012","90","","90","","90","","1450.43","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.0596","0.0373","","0.0816","0.0738","0.0816","","","","","","0.9506","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029676","10.9504","0.0002","9.5641","0.0002","21.54","0.0004","90","","97.2592","0.0009","90","","2237.82","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O10 -","- C23 H26 N4 O10 -","- C92 H104 N16 O40 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.0742","0.046","","0.1196","0.1067","0.1196","","","","","","0.9585","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029677","12.0338","0.0002","7.972","0.0001","23.2133","0.0004","90","","97.5273","0.001","90","","2207.74","0.06","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br O4 Si -","- C20 H29 Br O4 Si -","- C80 H116 Br4 O16 Si4 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.05","0.0344","","0.087","0.0792","0.087","","","","","","0.9825","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029678","7.4734","0.0012","7.51","0.0012","15.983","0.003","80.701","0.002","89.547","0.002","68.083","0.002","819.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H14 F2 O5 -","- C19 H14 F2 O5 -","- C38 H28 F4 O10 -","2","1","","Belhomme, Marie-Charlotte; Poisson, Thomas; Pannecoucke, Xavier","Copper-Catalyzed Direct C-2 Difluoromethylation of Furans and Benzofurans: Access to C-2 CF2H Derivatives.","The Journal of organic chemistry","2014","79","15","7205","7211","10.1021/jo5010907","","x-ray","0.71073","MoKα","","0.0549","0.0443","","","0.1229","0.1384","","","","","","1.08","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029679","7.3748","0.0008","19.4128","0.0019","13.8717","0.0014","90","","105.111","0.013","90","","1917.3","0.4","294.35","0.1","294.35","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.","The Journal of organic chemistry","2014","79","14","6627","6633","10.1021/jo501125b","","","0.71","MoKα","","0.0683","0.0488","","","0.1217","0.1373","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029680","6.7432","0.0005","7.9837","0.0005","30.723","0.002","90","","90","","90","","1653.99","0.19","294.26","0.1","294.26","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.","The Journal of organic chemistry","2014","79","14","6627","6633","10.1021/jo501125b","","","0.71073","MoKα","","0.1084","0.0631","","","0.131","0.1613","","","","","","1.051","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029681","6.211","0.002","9.483","0.002","17.825","0.003","90","","90","","90","","1049.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3S)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2S,3S)-syn,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Abate, Agnese; Brenna, Elisabetta; Fuganti, Claudio; Gatti, Francesco G.; Giovenzana, Tommaso; Malpezzi, Luciana; Serra, Stefano","Chirality and fragrance chemistry: stereoisomers of the commercial chiral odorants Muguesia and Pamplefleur.","The Journal of organic chemistry","2005","70","4","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0964","0.0623","","","0.1527","0.1769","","","","","","1.04","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029682","10.4494","0.0013","6.9551","0.0009","16.365","0.002","90","","98.175","0.004","90","","1177.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O6 -","- C26 H24 N4 O6 -","- C52 H48 N8 O12 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1448","0.0547","","","0.0909","0.1334","","","","","","1.092","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029683","5.9164","0.0009","7.5954","0.0011","20.95","0.003","90","","97.406","0.004","90","","933.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O6 Se -","- C19 H22 O6 Se -","- C38 H44 O12 Se2 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1468","0.0938","","","0.2444","0.2884","","","","","","0.965","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029684","20.83","0.008","5.635","0.002","12.122","0.007","90","","108.75","0.02","90","","1347.3","1.1","123.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miyahara, Yuji; Ito, Yoshio N.","AlCl3-Mediated Aldol Cyclocondensation of 1,6- and 1,7-Diones to Cyclopentene and Cyclohexene Derivatives.","The Journal of organic chemistry","2014","79","15","6801","6807","10.1021/jo5006137","","","0.7107","MoKα","","","0.0353","","","","0.115","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029685","17.112","0.002","9.5392","0.0012","18.084","0.002","90","","108.026","0.001","90","","2807","0.6","296","2","163","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","2","","Miyahara, Yuji; Ito, Yoshio N.","AlCl3-Mediated Aldol Cyclocondensation of 1,6- and 1,7-Diones to Cyclopentene and Cyclohexene Derivatives.","The Journal of organic chemistry","2014","79","15","6801","6807","10.1021/jo5006137","","","0.71073","MoKα","","0.0451","0.0388","","","0.1095","0.1165","","","","","","0.896","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029686","8.958","0.0004","17.1507","0.0009","11.2099","0.0005","90","","107.618","0.001","90","","1641.46","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","AMHX-184","sarpong80","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029687","10.9297","0.0003","7.3691","0.0002","11.4432","0.0004","90","","94.209","0.003","90","","919.17","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","AMHXI-049","sarpong83","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0549","0.041","","","0.0791","0.0848","","","","","","1.034","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029807","14.229","0.0007","18.035","0.0007","25.137","0.0009","72.471","0.0015","88.187","0.0012","80.469","0.0013","6065.1","0.4","293","","293","","","","","","","","?","3","P -1","-P 1","2","","","","- C153.5 H106 Cl8.18 -","- C153.5 H106 Cl8.1776 -","- C307 H212 Cl16.3552 -","2","1","","Wu, Jishan; Tomović, Željko; Enkelmann, Volker; Müllen, Klaus","From Branched Hydrocarbon Propellers toC3-Symmetric Graphite Disks.","The Journal of Organic Chemistry","2004","69","23","8176","","10.1021/jo040012t","","","0.71073","MoKα","","","0.0421","","","","0.0431","","","","","","0.6753","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029808","7.9422","0.0005","19.0885","0.001","11.2298","0.0005","90","","92.573","0.005","90","","1700.77","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C88 H56 Cl4 N12 -","4","1","","Kumar, Atul; Kumar, Mukesh; Maurya, Shivam; Khanna, Ranjana S.","Regioselective Synthesis of Fused Imidazo[1,2-a]pyrimidines via Intramolecular C-N Bond Formation/6-Endo-Dig Cycloisomerization.","The Journal of organic chemistry","2014","79","15","6905","6912","10.1021/jo5007762","","","0.71073","MoKα","","0.092","0.0538","","","0.1104","0.1296","","","","","","1.033","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029809","14.761","0.003","31.143","0.006","7.2056","0.0014","90","","90","","90","","3312.4","1.1","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C152 H128 N16 O40 -","8","1","","Wan, Jie-Ping; Lin, Yunfang; Huang, Qing; Liu, Yunyun","Diastereoselective Construction of Tetrahydropyridine Fused Bicyclic Structures via Three-Component Domino Reaction.","The Journal of organic chemistry","2014","79","15","7232","7238","10.1021/jo501292q","","","0.71073","MoKα","","0.1149","0.072","","","0.1977","0.249","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029810","6.8792","0.0007","10.2161","0.0011","27.732","0.003","90","","90","","90","","1949","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O2 -","- C24 H23 Br O2 -","- C96 H92 Br4 O8 -","4","1","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.0728","0.0557","","","0.1628","0.181","","","","","","1.19","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029811","10.7032","0.0012","14.9947","0.0017","25.551","0.003","90","","90","","90","","4100.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C192 H160 Br8 N8 O16 -","8","2","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.1277","0.0566","","","0.1075","0.1242","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029812","13.72","0.003","7.2534","0.0018","14.954","0.004","90","","90.634","0.014","90","","1488.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H25 Cl N2 O3 -","- C34 H25 Cl N2 O3 -","- C68 H50 Cl2 N4 O6 -","2","1","","Zhang, Hong-Hao; Wang, Yue-Ming; Xie, Yuan-Wei; Zhu, Zi-Qi; Shi, Feng; Tu, Shu-Jiang","Organocatalytic Chemo-, (E/Z)- and Enantioselective Formal Alkenylation of Indole-Derived Hydroxylactams Using o-Hydroxystyrenes as a Source of Alkenyl Group.","The Journal of organic chemistry","2014","79","15","7141","7151","10.1021/jo501293m","","","0.71073","MoKα","","0.1803","0.0655","","","0.147","0.2103","","","","","","0.939","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029813","6.432","","16.9723","0.0001","17.2995","0.0001","90","","90","","90","","1888.51","0.016","150","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C80 H104 N8 O12 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0246","0.0245","","","0.0642","0.0643","","","","","","1.059","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029814","6.419","0.0001","15.9155","0.0004","19.2921","0.0005","90","","90","","90","","1970.91","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C100 H84 N4 O16 S4 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0488","0.0475","","","0.1458","0.1475","","","","","","1.21","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029815","5.981","0.0012","11.955","0.002","13.864","0.003","111.01","0.03","95.75","0.03","92.04","0.03","918","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 F2 N2 O2 -","- C20 H26 F2 N2 O2 -","- C40 H52 F4 N4 O4 -","2","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","0.7","Synchrotron","","0.0345","0.0338","","","0.0866","0.0871","","","","","","1.039","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029816","9.23","0.002","9.844","0.002","10.127","0.002","108.46","0.01","103.28","0.01","99.61","0.01","820.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O8 -","- C17 H16 N2 O8 -","- C34 H32 N4 O16 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0507","0.0469","","","0.1205","0.1241","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029817","4.321","0.001","10.239","0.002","12.121","0.002","113.91","0.01","97.71","0.01","92.57","0.01","482.89","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O8 -","- C11 H9 N O4 -","- C22 H18 N2 O8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0457","0.0371","","","0.082","0.0858","","","","","","0.968","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029818","7.084","0.002","10.221","0.003","11.829","0.003","85.52","0.01","76.42","0.01","74.67","0.01","802.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N2 O6 -","- C17 H15 N2 O6 -","- C34 H30 N4 O12 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0795","0.0423","","","0.0697","0.0803","","","","","","0.904","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029819","8.001","0.001","9.822","0.002","12.257","0.002","94.85","0.01","92.1","0.01","94.63","0.01","955.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O9 -","- C22 H16 N2 O9 -","- C44 H32 N4 O18 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0702","0.0658","","","0.1704","0.1762","","","","","","1.012","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029820","3.85","0.001","11.162","0.003","12.126","0.004","113.46","0.01","95.26","0.01","92.35","0.01","474.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O8 -","- C11 H8 N O4 -","- C22 H16 N2 O8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0909","0.0705","","","0.1693","0.1839","","","","","","1.072","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029821","7.084","0.001","7.253","0.001","13.933","0.002","90.68","0.01","102.41","0.01","106.3","0.01","669.06","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N2 O4 -","- C17 H11 N2 O4 -","- C34 H22 N4 O8 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0526","0.0426","","","0.0925","0.0984","","","","","","1.045","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029822","9.752","0.002","9.822","0.002","12.034","0.003","80.1","0.01","69.38","0.01","67.38","0.01","994.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O10 -","- C22 H18 N2 O10 -","- C44 H36 N4 O20 -","2","1","","Arora, Kapildev K.; Pedireddi, V. R.","A rational study of crystal engineering of supramolecular assemblies of 1,2,4,5-benzenetetracarboxylic acid.","The Journal of organic chemistry","2003","68","24","9177","9185","10.1021/jo034434z","","","0.71073","MoKα","","0.0435","0.0379","","","0.0976","0.1018","","","","","","1.049","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029823","6.142","0.004","10.755","0.007","26.16","0.017","90","","90","","90","","1728.1","1.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C84 H92 N12 -","4","1","","Herrera, Antonio; Riaño, Alberto; Moreno, Ramón; Caso, Bárbara; Pardo, Zulay D.; Fernández, Israel; Sáez, Elena; Molero, Dolores; Sánchez-Vázquez, Angel; Martínez-Alvarez, Roberto","One-Pot Synthesis of 1,3,5-Triazine Derivatives via Controlled Cross-Cyclotrimerization of Nitriles: A Mechanism Approach.","The Journal of organic chemistry","2014","79","15","7012","7024","10.1021/jo501144v","","","0.71073","MoKα","","0.1642","0.0812","","","0.1607","0.1886","","","","","","0.91","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029824","7.6193","0.0004","10.9706","0.0007","11.8576","0.0009","90","","90","","90","","991.16","0.11","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Castillo-Contreras, Emmanuel B; Stahl, Alexander M.; Dake, Gregory R.","Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.","The Journal of organic chemistry","2014","79","15","7250","7255","10.1021/jo501376q","","","1.54178","CuKα","","0.0482","0.0463","","","0.1163","0.1191","","","","","","1.074","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029825","7.7657","0.0005","11.9845","0.0008","13.1137","0.0009","90","","94.745","0.003","90","","1216.28","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Castillo-Contreras, Emmanuel B; Stahl, Alexander M.; Dake, Gregory R.","Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.","The Journal of organic chemistry","2014","79","15","7250","7255","10.1021/jo501376q","","","0.71073","MoKα","","0.0465","0.0387","","","0.1025","0.1081","","","","","","1.027","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029826","16.112","0.016","6.706","0.007","18.764","0.019","90","","100.854","0.011","90","","1991","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Mondal, Sayantan; Gold, Brian; Mohamed, Rana K.; Phan, Hoa; Alabugin, Igor V.","Rerouting Radical Cascades: Intercepting the Homoallyl Ring Expansion in Enyne Cyclizations via C-S Scission.","The Journal of organic chemistry","2014","79","16","7491","7501","10.1021/jo5012043","","","0.71073","MoKα","","0.0634","0.0519","","","0.1224","0.1294","","","","","","1.056","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029827","12.6288","0.0006","9.4968","0.0005","13.1535","0.0007","90","","118.149","0.002","90","","1390.96","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 F3 N3 O5 -","- C28 H32 F3 N3 O5 -","- C56 H64 F6 N6 O10 -","2","1","","Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer","N-methylimidazole promotes the reaction of homophthalic anhydride with imines.","The Journal of organic chemistry","2014","79","16","7593","7599","10.1021/jo501316m","","","1.54178","CuKα","","0.0361","0.0343","","","0.0763","0.0773","","","","","","1.005","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029828","10.2269","0.0006","15.884","0.0009","12.1416","0.0007","90","","98.281","0.001","90","","1951.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H19 N O4.5 -","- C24.5 H19 N O4.5 -","- C98 H76 N4 O18 -","4","1","","Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer","N-methylimidazole promotes the reaction of homophthalic anhydride with imines.","The Journal of organic chemistry","2014","79","16","7593","7599","10.1021/jo501316m","","","0.71073","MoKα","","0.104","0.0725","","","0.1644","0.1824","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029829","7.446","0.003","7.6","0.003","29.561","0.011","90","","97.206","0.01","90","","1659.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Gopi, Elumalai; Namboothiri, Irishi N. N.","One-Pot Regioselective Synthesis of meta-Terphenyls via [3 + 3] Annulation of Nitroallylic Acetates with Alkylidenemalononitriles.","The Journal of organic chemistry","2014","79","16","7468","7476","10.1021/jo501193h","","","0.71073","MoKα","","0.0513","0.0403","","","0.0876","0.092","","","","","","0.987","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029831","11.8137","0.0017","7.047","0.001","24.199","0.004","90","","101.033","0.002","90","","1977.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N5 O6 S -","- C18 H21 N5 O6 S -","- C72 H84 N20 O24 S4 -","4","1","","Johnson, Kevin M.; Parsons, Zachary D.; Barnes, Charles L.; Gates, Kent S.","Toward Hypoxia-Selective DNA-Alkylating Agents Built by Grafting Nitrogen Mustards onto the Bioreductively Activated, Hypoxia-Selective DNA-Oxidizing Agent 3-Amino-1,2,4-benzotriazine 1,4-Dioxide (Tirapazamine).","The Journal of organic chemistry","2014","79","16","7520","7531","10.1021/jo501252p","","","0.71073","MoKα","","0.0413","0.0347","","","0.0924","0.0972","","","","","","1.047","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029832","10.7599","0.001","12.9257","0.0012","14.6771","0.0019","101.059","0.009","109.431","0.009","96.31","0.007","1855.7","0.4","180.15","","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 Br I S2 Si2 -","- C35 H38 Br I S2 Si2 -","- C70 H76 Br2 I2 S4 Si4 -","2","1","","Valášek, Michal; Edelmann, Kevin; Gerhard, Lukas; Fuhr, Olaf; Lukas, Maya; Mayor, Marcel","Synthesis of molecular tripods based on a rigid 9,9'-spirobifluorene scaffold.","The Journal of organic chemistry","2014","79","16","7342","7357","10.1021/jo501029t","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0713","0.0734","","","","","","1.049","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029833","17.049","0.002","6.88","0.001","34.497","0.003","90","","93.65","0.05","90","","4038.2","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C5'-C6'[S]epoxide of O2',O3' di-terbutyldimethylsilyl uridine","","- C22 H40 N2 O6 Si2 -","- C22 H40 N2 O6 Si2 -","- C132 H240 N12 O36 Si12 -","6","3","","Fer, Mickaël J; Doan, Pierre; Prangé, Thierry; Calvet-Vitale, Sandrine; Gravier-Pelletier, Christine","A diastereoselective synthesis of 5'-substituted-uridine derivatives.","The Journal of organic chemistry","2014","79","16","7758","7765","10.1021/jo501410m","","","0.964","synchrotron","","0.0946","0.0945","","","0.2385","0.2389","","","","","","2.598","","","","has coordinates,has disorder","204142","2020-10-21","18:00:00",""
"4029834","10.0649","0.0007","17.5489","0.0012","10.2527","0.0007","90","","97.268","0.001","90","","1796.4","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 F3 N2 O S -","- C16 H21 F3 N2 O S -","- C64 H84 F12 N8 O4 S4 -","4","2","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Friedel-Crafts Reactions of N-tert-Butylsulfinyl-3,3,3-trifluoroacetaldimines: General Access to Enantiomerically Pure Indoles Containing a 1-Amino-2,2,2-trifluoroethyl Group.","The Journal of organic chemistry","2014","79","16","7677","7681","10.1021/jo5012009","","","0.71073","MoKα","","0.0451","0.0364","","","0.0885","0.0939","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029835","12.2469","0.0006","9.3854","0.0005","14.4662","0.0007","90","","103.089","0.002","90","","1619.57","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N6 O6 S2 -","- C26 H30 N6 O6.01 S2 -","- C52 H60 N12 O12.02 S4 -","2","1","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0824","0.0761","","","0.2118","0.2232","","","","","","0.885","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029836","11.7533","0.0002","9.4038","0.0002","14.313","0.0003","90","","96.434","0.001","90","","1571.99","0.05","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl F3 N2 O2 S -","- C13 H14 Cl F3 N2 O2 S -","- C52 H56 Cl4 F12 N8 O8 S4 -","4","2","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0381","0.0325","","","0.0673","0.0695","","","","","","1.062","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029837","22.249","0.003","9.242","0.0014","9.1181","0.0012","90","","90","","90","","1874.9","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.0653","0.0471","","","0.0988","0.1078","","","","","","1.031","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029838","9.5546","0.0012","10.2791","0.0013","12.0432","0.0015","98.98","0.002","98.018","0.002","92.406","0.002","1154.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.0904","0.0497","","","0.1187","0.1327","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029839","10.638","0.014","11.784","0.014","13.566","0.015","67.11","0.03","84.68","0.03","63.93","0.03","1401","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C66 H66 N6 -","3","1.5","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.2096","0.062","","","0.0799","0.0935","","","","","","1","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029840","9.0828","0.0013","8.2753","0.0012","28.513","0.004","90","","97.494","0.003","90","","2124.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1024","0.0537","","","0.1343","0.1583","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029841","22.6533","0.0016","22.6533","0.0016","7.243","0.0014","90","","90","","90","","3716.9","0.8","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C152 H104 N40 O16 -","8","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1175","0.0645","","","0.1608","0.1793","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029842","7.943","0.002","10.527","0.003","11.702","0.004","84.179","0.004","86.21","0.004","79.569","0.004","956.2","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1043","0.0522","","","0.117","0.1373","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029843","8.24","0.003","9.613","0.003","22.45","0.007","90","","90","","90","","1778.3","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C80 H76 N4 O16 S4 -","4","1","","Kamimura, Akio; Yamane, Yu; Yo, Ryuichiro; Tanaka, Toshiyuki; Uno, Hidemitsu","Gold(I)-Catalyzed Synthesis of Optically Active 1,4-Oxazepan-7-ones.","The Journal of organic chemistry","2014","79","16","7696","7702","10.1021/jo501254x","","","0.71075","MoKα","","","0.0273","","","","0.0682","","","","","","1.091","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029848","7.7122","0.0004","22.1072","0.0011","11.0668","0.0006","90","","90.56","0.002","90","","1886.75","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 O1.5 Si -","- C6 H17 O1.5 Si -","- C48 H136 O12 Si8 -","8","2","","Patschinski, Pascal; Zhang, Cong; Zipse, Hendrik","The lewis base-catalyzed silylation of alcohols-a mechanistic analysis.","The Journal of organic chemistry","2014","79","17","8348","8357","10.1021/jo5016568","","","0.71073","MoKα","","0.0498","0.0439","","","0.1108","0.1146","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029849","14.8863","0.0002","25.4284","0.0004","6.6202","0.0001","90","","90","","90","","2505.98","0.06","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H44 O3 Si -","- C24 H44 O3 Si -","- C96 H176 O12 Si4 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","0.71073","MoKα","","0.048","0.0444","","","0.1221","0.1261","","","","","","1.066","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029850","10.1431","0.001","10.1431","0.001","17.8259","0.0019","90","","90","","120","","1588.3","0.3","173","1","173","1","","","","","","","","3","P 32","P 32","145","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C75 H96 O12 -","3","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0738","0.0779","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029851","15.457","0.003","9.311","0.002","15.892","0.003","90","","110.108","0.013","90","","2147.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","1.54176","CuKα","","0.0954","0.0756","","","0.1855","0.2075","","","","","","1.004","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029852","13.6957","0.0017","7.3312","0.0009","16.043","0.002","90","","94.634","0.002","90","","1605.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N6 O4 -","- C18 H14 N6 O4 -","- C72 H56 N24 O16 -","4","1","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","0.71073","MoKα","","0.0858","0.0494","","","0.116","0.1335","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029853","12.395","0.0005","12.8325","0.0005","7.9578","0.0003","90","","101.99","0.004","90","","1238.14","0.09","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Compound 16","","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","0.5","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","1.54178","CuKα","","0.0492","0.0416","","","0.1006","0.1033","","","","","","1.041","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029854","8.9582","0.0004","9.2839","0.0003","14.5505","0.0006","90","","92.973","0.003","90","","1208.49","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 7","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","1.54178","CuKα","","0.0399","0.0353","","","0.0923","0.096","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029855","10.052","0.004","14.694","0.006","12.103","0.005","90","","95.947","0.006","90","","1778","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Wang, Xianbo; Yu, Xingxin","Silver(I) and copper(i) cocatalyzed tandem reaction of 2-alkynylbenzaldoximes with aldehydes or alcohols: approach to 4-carboxylated isoquinolines.","The Journal of organic chemistry","2014","79","17","7854","7860","10.1021/jo500864b","","","0.71073","MoKα","","0.0985","0.0611","","","0.1495","0.1725","","","","","","0.923","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029856","42.4851","0.0007","7.7388","0.0001","14.2913","0.0002","90","","103.844","0.002","90","","4562.25","0.12","290","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C208 H216 N24 O24 -","8","2","","Peng, Jixing; Gao, Huquan; Li, Jing; Ai, Jing; Geng, Meiyu; Zhang, Guojian; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Prenylated Indole Diketopiperazines from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2014","79","17","7895","7904","10.1021/jo5010179","","","1.54184","CuKα","","0.0399","0.0361","","","0.0918","0.0957","","","","","","1.025","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029857","28.51","0.06","12.34","0.02","17.98","0.04","90","","121.13","0.02","90","","5415","19","270","2","270","2","","","","","","","","3","C 1 c 1","C -2yc","9","C16MolGyro","","","- C54 H100 Si2 -","- C54 H100 Si2 -","- C216 H400 Si8 -","4","1","","Setaka, Wataru; Inoue, Kazuyuki; Higa, Sayaka; Yoshigai, Seiki; Kono, Hirohiko; Yamaguchi, Kentaro","Synthesis of Crystalline Molecular Gyrotops and Phenylene Rotation inside the Cage.","The Journal of organic chemistry","2014","79","17","8288","8295","10.1021/jo501539h","","","0.71073","MoKα","","0.3938","0.1216","","","0.3025","0.4879","","","","","","0.928","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029858","11.8372","0.0005","8.0993","0.0004","33.8951","0.0015","90","","92.243","0.001","90","","3247.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N S -","- C23 H15 N S -","- C184 H120 N8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0531","0.0435","","","0.1068","0.1141","","","","","","1.037","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029859","13.7704","0.0007","12.1242","0.0006","23.1112","0.0012","90","","104.926","0.001","90","","3728.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H22 B F15 N S -","- C44 H22 B F15 N S -","- C176 H88 B4 F60 N4 S4 -","4","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0567","0.0443","","","0.1039","0.1111","","","","","","1.023","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029860","10.024","0.002","11.023","0.003","17.842","0.004","90.44","0.005","106.169","0.004","106.009","0.005","1812.4","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","C42 H17 B F15 N O S, 0.5(C Cl2)","","- C42.5 H17 B Cl F15 N O S -","- C42.5 H17 B Cl F15 N O S -","- C85 H34 B2 Cl2 F30 N2 O2 S2 -","2","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0523","0.0423","","","0.108","0.1148","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029861","16.8297","0.0008","15.8736","0.0008","15.8336","0.0008","90","","116.245","0.001","90","","3793.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl N O S -","- C23 H17 Cl N O S -","- C184 H136 Cl8 N8 O8 S8 -","8","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0464","0.041","","","0.1055","0.1098","","","","","","1.022","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029862","12.2538","0.0005","8.5039","0.0003","32.5823","0.0014","90","","93.139","0.001","90","","3390.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C184 H120 N8 O8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0575","0.0486","","","0.1197","0.1257","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029863","22.3346","0.0009","19.506","0.0007","15.8717","0.0006","90","","98.327","0.001","90","","6841.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H15 B F15 N O S -","- C41 H15 B F15 N O S -","- C328 H120 B8 F120 N8 O8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0833","0.0531","","","0.1183","0.1359","","","","","","0.994","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029864","9.5219","0.0005","9.7304","0.0008","11.5747","0.0009","105.945","0.007","109.988","0.006","99.912","0.006","926.09","0.14","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Mai, Wen-Peng; Sun, Gang-Chun; Wang, Ji-Tao; Song, Ge; Mao, Pu; Yang, Liang-Ru; Yuan, Jin-Wei; Xiao, Yong-Mei; Qu, Ling-Bo","Silver-Catalyzed Radical Tandem Cyclization: An Approach to Direct Synthesis of 3-Acyl-4-arylquinolin-2(1H)-ones.","The Journal of organic chemistry","2014","79","17","8094","8102","10.1021/jo501301t","","","1.5418","CuKα","","0.0463","0.0385","","","0.1066","0.1142","","","","","","1.052","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029865","10.3678","0.0004","9.9254","0.0003","18.351","0.0006","90","","104.086","0.004","90","","1831.62","0.11","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br N O2 -","- C23 H16 Br N O2 -","- C92 H64 Br4 N4 O8 -","4","1","","Mai, Wen-Peng; Sun, Gang-Chun; Wang, Ji-Tao; Song, Ge; Mao, Pu; Yang, Liang-Ru; Yuan, Jin-Wei; Xiao, Yong-Mei; Qu, Ling-Bo","Silver-Catalyzed Radical Tandem Cyclization: An Approach to Direct Synthesis of 3-Acyl-4-arylquinolin-2(1H)-ones.","The Journal of organic chemistry","2014","79","17","8094","8102","10.1021/jo501301t","","","1.5418","CuKα","","0.0447","0.0362","","","0.0872","0.0938","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029866","8.5954","0.0006","21.9171","0.0016","10.9128","0.0008","90","","105.471","0.002","90","","1981.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C96 H80 Br4 N4 O12 -","4","1","","Jiang, Liqin; Xu, Renqi; Kang, Zhenghui; Feng, Yixiao; Sun, Fengxia; Hu, Wenhao","Rh(II)/Brønsted Acid Cocatalyzed Intramolecular Trapping of Ammonium Ylides with Enones: Diastereoselective Synthesis of 2,2,3-Trisubstituted Indolines.","The Journal of organic chemistry","2014","79","17","8440","8446","10.1021/jo501282h","","","0.71073","MoKα","","0.0418","0.0314","","","0.0724","0.0774","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029867","13.849","0.002","11.2933","0.0015","14.1543","0.0018","90","","100.572","0.015","90","","2176.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Br N2 O3 -","- C24 H21 Br N2 O3 -","- C96 H84 Br4 N8 O12 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","","0.71073","MoKα","","0.2027","0.0747","","","0.1354","0.1978","","","","","","0.963","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029868","13.1439","0.0012","9.9913","0.0005","14.1098","0.0009","90","","91.472","0.007","90","","1852.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","","0.71073","MoKα","","0.1046","0.0621","","","0.1463","0.1758","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029869","10.1675","0.0003","12.4426","0.0003","12.6642","0.0003","90","","100.875","0.002","90","","1573.38","0.07","105","0.1","105","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl F N2 O -","- C19 H10 Cl F N2 O -","- C76 H40 Cl4 F4 N8 O4 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","x-ray","0.71073","MoKα","","0.045","0.039","","","0.09","0.0954","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029870","10.5931","0.0005","12.4309","0.0006","10.6076","0.0005","90","","105.109","0.002","90","","1348.54","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Cao, Ming-Ming; Zhang, Yu; Li, Xiao-Hui; Peng, Zong-Gen; Jiang, Jian-Dong; Gu, Yu-Cheng; Di, Ying-Tong; Li, Xiao-Nian; Chen, Duo-Zhi; Xia, Cheng-Feng; He, Hong-Ping; Li, Shun-Lin; Hao, Xiao-Jiang","Cyclohexane-Fused Octahydroquinolizine Alkaloids from Myrioneuron faberi with Activity against Hepatitis C Virus.","The Journal of organic chemistry","2014","79","17","7945","7950","10.1021/jo501076x","","","1.54178","CuKα","","0.0579","0.0568","","","0.1525","0.1535","","","","","","1.091","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029871","8.6049","0.0016","9.2797","0.0017","11.975","0.002","86.715","0.003","76.606","0.002","87.794","0.003","928.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C40 H72 N4 O4 -","2","1","","Cao, Ming-Ming; Zhang, Yu; Li, Xiao-Hui; Peng, Zong-Gen; Jiang, Jian-Dong; Gu, Yu-Cheng; Di, Ying-Tong; Li, Xiao-Nian; Chen, Duo-Zhi; Xia, Cheng-Feng; He, Hong-Ping; Li, Shun-Lin; Hao, Xiao-Jiang","Cyclohexane-Fused Octahydroquinolizine Alkaloids from Myrioneuron faberi with Activity against Hepatitis C Virus.","The Journal of organic chemistry","2014","79","17","7945","7950","10.1021/jo501076x","","","0.71073","MoKα","","0.0637","0.0476","","","0.122","0.1338","","","","","","1.071","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029872","8.5758","0.0008","24.74","0.002","16.4424","0.0016","90","","90.94","0.001","90","","3488","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Si2 -","- C16 H24 Si2 -","- C128 H192 Si16 -","8","2","","Kinoshita, Hidenori; Hirai, Nobuyoshi; Miura, Katsukiyo","Diisobutylaluminum Hydride Promoted Cyclization of o-(Trimethylsilylethynyl)styrenes to Indenes.","The Journal of organic chemistry","2014","79","17","8171","8181","10.1021/jo501383v","","","0.71073","MoKα","","0.0692","0.0572","","","0.1536","0.1634","","","","","","0.924","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029873","10.3693","0.0011","10.5849","0.0012","13.5584","0.0015","87.922","0.002","89.05","0.002","62.078","0.001","1314","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O5 -","- C29 H22 N2 O5 -","- C58 H44 N4 O10 -","2","1","","Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing","Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions.","The Journal of organic chemistry","2014","79","17","7935","7944","10.1021/jo501049m","","","0.71073","MoKα","","0.3902","0.1194","","","0.1797","0.225","","","","","","1.025","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029874","10.2812","0.0009","10.2989","0.0008","13.2551","0.0011","89.772","0.002","87.99","0.002","62.141","0.001","1239.96","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C60 H48 N4 O10 -","2","1","","Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing","Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions.","The Journal of organic chemistry","2014","79","17","7935","7944","10.1021/jo501049m","","","0.71073","MoKα","","0.1698","0.0737","","","0.1672","0.2352","","","","","","1.042","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029875","12.819","0.0006","10.5217","0.0005","18.1283","0.0008","90","","106.949","0.0012","90","","2338.9","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cl N2 O2 -","- C27 H25 Cl N2 O2 -","- C108 H100 Cl4 N8 O8 -","4","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0872","0.0641","","","0.1554","0.1698","","","","","","1.059","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029876","25.069","0.003","10.0489","0.0012","20.245","0.002","90","","110.317","0.002","90","","4782.7","0.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cl N2 O2 -","- C27 H25 Cl N2 O2 -","- C216 H200 Cl8 N16 O16 -","8","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0775","0.0571","","","0.1328","0.1426","","","","","","1.138","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029877","10.7819","0.0015","11.2776","0.0018","12.123","0.003","114.81","0.004","97.625","0.004","108.463","0.003","1207.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F3 N2 O2 -","- C28 H25 F3 N2 O2 -","- C56 H50 F6 N4 O4 -","2","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0609","0.0428","","","0.096","0.1085","","","","","","1.05","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029878","8.784","0.003","16.217","0.005","14.313","0.004","90","","123.483","0.014","90","","1700.5","1","293","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 O4 S -","- C18 H12 Cl N3 O4 S -","- C72 H48 Cl4 N12 O16 S4 -","4","1","","Yang, Bingchuan; Tan, Xiaochen; Guo, Ruiying; Chen, Shunwei; Zhang, Zeyuan; Chu, Xianglong; Xie, Caixia; Zhang, Dongju; Ma, Chen","Transition Metal-Free One-Pot Synthesis of Fused 1,4-Thiazepin-5(4H)-ones and Theoretical Study of the S-N Type Smiles Rearrangement Process.","The Journal of organic chemistry","2014","79","17","8040","8048","10.1021/jo5011729","","","0.71","MoKα","","0.0779","0.0467","","","0.1352","0.1765","","","","","","1.111","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029879","10.1979","0.0003","15.8821","0.0004","21.6227","0.0008","90","","90","","90","","3502.1","0.19","291","2","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Li, Pengfei; Cheng, Guolin; Zhang, Hong; Xu, Xianxiang; Gao, Jingyuan; Cui, Xiuling","Copper-Catalyzed One-Pot Synthesis of Unsymmetrical Arylurea Derivatives via Tandem Reaction of Diaryliodonium Salts with N-Arylcyanamide.","The Journal of organic chemistry","2014","79","17","8156","8162","10.1021/jo501334u","","","1.54184","CuKα","","0.0626","0.045","","","0.1145","0.1256","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029880","29.4","0.0016","5.6484","0.0003","23.9962","0.0015","90","","97.043","0.002","90","","3954.8","0.4","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 B N O -","- C27 H22 B N O -","- C216 H176 B8 N8 O8 -","8","1","","Molander, Gary A.; Wisniewski, Steven R.","Accessing 2,1-Borazaronaphthols: Self-Arylation of 1-Alkyl-2-aryl-3-bromo-2,1-borazaronaphthalenes.","The Journal of organic chemistry","2014","79","17","8339","8347","10.1021/jo501638q","","","0.71073","MoKα","","0.0426","0.036","","","0.0925","0.0981","","","","","","1.04","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029881","9.7741","0.0003","21.4114","0.0006","16.2306","0.0004","90","","107.616","0.001","90","","3237.41","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 B2 N2 O -","- C42 H34 B2 N2 O -","- C168 H136 B8 N8 O4 -","4","1","","Molander, Gary A.; Wisniewski, Steven R.","Accessing 2,1-Borazaronaphthols: Self-Arylation of 1-Alkyl-2-aryl-3-bromo-2,1-borazaronaphthalenes.","The Journal of organic chemistry","2014","79","17","8339","8347","10.1021/jo501638q","","","0.71073","MoKα","","0.0548","0.0414","","","0.1007","0.109","","","","","","1.018","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029882","12.372","0.003","5.7322","0.0013","14.47","0.004","90","","90","","90","","1026.2","0.4","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H13 F3 -","- C12 H13 F3 -","- C48 H52 F12 -","4","1","","Durie, Alastair J.; Fujiwara, Tomoya; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Stepwise Preparation of All-cis 1,3,4-Trifluoro-2-phenylcyclohexane, Avoiding a Phenonium Intermediate.","The Journal of organic chemistry","2014","79","17","8228","8233","10.1021/jo501432x","","","0.71075","MoKα","","","0.0394","","","","0.0874","","","","","","1.067","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029883","4.8383","0.0008","16.347","0.003","23.195","0.004","90","","90","","90","","1834.5","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Br O -","- C10 H9 Br O -","- C80 H72 Br8 O8 -","8","2","","Tada, Atsuo; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi","Palladium/ClickFerrophos-Catalyzed Asymmetric Domino Allylstannylation-Heck Reaction of o-Formylaryl Triflate.","The Journal of organic chemistry","2014","79","17","7905","7909","10.1021/jo5010247","","","0.71075","MoKα","","0.0803","0.0495","","","0.1059","0.1226","","","","","","0.919","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029884","12.594","0.003","15.145","0.002","19.256","0.005","78.32","0.03","76.694","0.019","73.73","0.03","3393.5","1.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 N3 O9 -","- C33 H42 N3 O9 -","- C132 H168 N12 O36 -","4","2","","Valera, Silvia; Taylor, James E.; Daniels, David S. B.; Dawson, Daniel M.; Athukorala Arachchige, Kasun S.; Ashbrook, Sharon E.; Slawin, Alexandra M. Z.; Bode, Bela E.","A modular approach for the synthesis of nanometer-sized polynitroxide multi-spin systems.","The Journal of organic chemistry","2014","79","17","8313","8323","10.1021/jo5015678","","","0.71075","MoKα","","","0.1029","","","","0.3423","","","","","","1.016","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029885","18.337","0.01","5.919","0.003","22.367","0.011","90","","106.085","0.015","90","","2333","2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C96 H120 N8 O24 -","4","1","","Valera, Silvia; Taylor, James E.; Daniels, David S. B.; Dawson, Daniel M.; Athukorala Arachchige, Kasun S.; Ashbrook, Sharon E.; Slawin, Alexandra M. Z.; Bode, Bela E.","A modular approach for the synthesis of nanometer-sized polynitroxide multi-spin systems.","The Journal of organic chemistry","2014","79","17","8313","8323","10.1021/jo5015678","","","1.54187","CuKα","","","0.1094","","","","0.3611","","","","","","1.368","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029886","9.8295","0.0004","18.695","0.0006","11.8467","0.0006","90","","102.151","0.004","90","","2128.21","0.16","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,6,6,10,10,14,14‒Octabromotetraspiro[2.1.25.1.29.1.213.13]hexadecane","","- C16 H16 Br8 -","- C16 H16 Br8 -","- C64 H64 Br32 -","4","1","","Averina, Elena B.; Sedenkova, Kseniya N.; Bakhtin, Stanislav G.; Grishin, Yuri K.; Kutateladze, Andrei G.; Roznyatovsky, Vitaly A.; Rybakov, Victor B.; Butov, Gennady M.; Kuznetsova, Tamara S.; Zefirov, Nikolay S.","symm-Tetramethylenecyclooctane: En Route to Polyspirocycles.","The Journal of organic chemistry","2014","79","17","8163","8170","10.1021/jo501380y","","","0.71073","MoKα","","0.1341","0.0465","","","0.0387","0.0525","","","","","","0.577","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029887","7.8402","0.0003","15.7396","0.0007","12.4837","0.0004","90","","103.122","0.003","90","","1500.28","0.1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,2"",2""-Tetrachloro-1'-methyldispiro[cyclopropane-1,3'- bicyclo[3.3.1]nonane-7',1""-cyclopropane]","","- C14 H18 Cl4 -","- C14 H18 Cl4 -","- C56 H72 Cl16 -","4","1","","Averina, Elena B.; Sedenkova, Kseniya N.; Bakhtin, Stanislav G.; Grishin, Yuri K.; Kutateladze, Andrei G.; Roznyatovsky, Vitaly A.; Rybakov, Victor B.; Butov, Gennady M.; Kuznetsova, Tamara S.; Zefirov, Nikolay S.","symm-Tetramethylenecyclooctane: En Route to Polyspirocycles.","The Journal of organic chemistry","2014","79","17","8163","8170","10.1021/jo501380y","","","1.54186","CuKα","","0.0545","0.0443","","","0.0988","0.1032","","","","","","0.919","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029888","14.0105","0.0008","14.0105","0.0008","33.006","0.002","90","","90","","90","","6478.9","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","3a","","","- C34 H30 Br N3 Ni O3 -","- C34 H30 Br N3 Ni O3 -","- C272 H240 Br8 N24 Ni8 O24 -","8","1","","Chen, Hui; Wang, Jiang; Zhou, Shengbin; Liu, Hong","Asymmetric Synthesis of Chiral Heterocyclic Amino Acids via the Alkylation of the Ni(II) Complex of Glycine and Alkyl Halides.","The Journal of organic chemistry","2014","79","17","7872","7879","10.1021/jo501571j","","","0.71073","MoKα","","0.0838","0.0477","","","0.0987","0.1095","","","","","","0.925","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029889","6.1759","0.0011","11.8443","0.001","15.9609","0.0016","85.25","0.008","86.847","0.011","88.964","0.01","1161.6","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Br N O S -","- C11 H10 Br N O S -","- C44 H40 Br4 N4 O4 S4 -","4","2","","Chen, Xiao-Lan; Li, Xu; Qu, Ling-Bo; Tang, Yu-Chun; Mai, Wen-Peng; Wei, Dong-Hui; Bi, Wen-Zhu; Duan, Li-Kun; Sun, Kai; Chen, Jian-Yu; Ke, Dian-Dian; Zhao, Yu-Fen","Peroxides as ""Switches"" of Dialkyl H-Phosphonate: Two Mild and Metal-Free Methods for Preparation of 2-Acylbenzothiazoles and Dialkyl Benzothiazol-2-ylphosphonates.","The Journal of organic chemistry","2014","79","17","8407","8416","10.1021/jo501791n","","","1.54184","CuKα","","0.057","0.0455","","","0.1181","0.1297","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029890","8.3733","0.0017","10.464","0.002","10.507","0.002","109.43","0.03","91.99","0.03","102.81","0.03","840.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 N O P S -","- C19 H14 N O P S -","- C38 H28 N2 O2 P2 S2 -","2","1","","Chen, Xiao-Lan; Li, Xu; Qu, Ling-Bo; Tang, Yu-Chun; Mai, Wen-Peng; Wei, Dong-Hui; Bi, Wen-Zhu; Duan, Li-Kun; Sun, Kai; Chen, Jian-Yu; Ke, Dian-Dian; Zhao, Yu-Fen","Peroxides as ""Switches"" of Dialkyl H-Phosphonate: Two Mild and Metal-Free Methods for Preparation of 2-Acylbenzothiazoles and Dialkyl Benzothiazol-2-ylphosphonates.","The Journal of organic chemistry","2014","79","17","8407","8416","10.1021/jo501791n","","","0.71073","MoKα","","0.1029","0.0715","","","0.1286","0.1439","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029891","9.5648","0.0019","16.747","0.003","19.911","0.004","90","","90","","90","","3189.4","1.1","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O6 Si -","- C36 H36 O6 Si -","- C144 H144 O24 Si4 -","4","1","","Tan, Yun Xuan; Santhanakrishnan, Sridhar; Yang, Hai Yan; Chai, Christina L. L.; Tam, Eric Kwok Wai","Synthesis of Neplanocin A and Its 3'-Epimer via an Intramolecular Baylis-Hillman Reaction.","The Journal of organic chemistry","2014","79","17","8059","8066","10.1021/jo501248e","","","0.71073","MoKα","","0.1056","0.0968","","","0.2477","0.2606","","","","","","1.131","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029892","7.2551","0.0016","9.233","0.002","21.918","0.005","90","","90","","90","","1468.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(phenanthren-9-yl)cyclohexanone","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.0399","0.0322","","","0.0765","0.0809","","","","","","1.057","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029893","12.539","0.004","7.252","0.002","14.199","0.005","90","","110.964","0.005","90","","1205.7","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)cyclohexanone","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.1345","0.0995","","","0.3157","0.3365","","","","","","1.076","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029894","7.1924","0.0011","8.3504","0.0013","11.6752","0.0018","71.605","0.005","77.199","0.005","82.165","0.006","647.17","0.17","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(1,2-dihydroacenaphthylen-5-yl)cyclohexanone","","- C18 H18 O -","- C18 H18 O -","- C36 H36 O2 -","2","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.1137","0.0923","","","0.2389","0.251","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029895","19.2843","0.0009","19.2843","0.0009","7.3129","0.0002","90","","90","","90","","2719.55","0.19","293","2","293","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C17 H13 Cl O -","- C17 H13 Cl O -","- C136 H104 Cl8 O8 -","8","","","Liu, Qiang; Meng, Jiang; Liu, Yang; Yang, Chao; Xia, Wujiong","Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins.","The Journal of organic chemistry","2014","79","17","8143","8155","10.1021/jo5013465","","","1.5418","CuKα","","0.0446","0.0397","","","0.1024","0.1063","","","","","","1.049","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029896","6.4492","0.0005","7.6732","0.0007","15.1467","0.0011","101.507","0.007","94.517","0.006","90.802","0.007","731.86","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl2 N6 O2 -","- C13 H8 Cl2 N6 O2 -","- C26 H16 Cl4 N12 O4 -","2","1","","Sadhu, Pradeep; Alla, Santhosh Kumar; Punniyamurthy, Tharmalingam","Room-Temperature Cu(II)-Catalyzed Chemo- and Regioselective Ortho-Nitration of Arenes via C-H Functionalization.","The Journal of organic chemistry","2014","79","18","8541","8549","10.1021/jo501617g","","","0.71073","MoKα","","0.0784","0.045","","","0.0604","0.0722","","","","","","1.228","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029897","6.6745","0.0005","9.0337","0.0005","9.4283","0.0006","90","","90","","90","","568.48","0.06","150","1","150","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C4 N6 -","- C4 N6 -","- C16 N24 -","4","","","Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S.","Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors.","The Journal of organic chemistry","2014","79","17","8189","8201","10.1021/jo5014004","","","0.71073","MoKα","","0.0378","0.0326","","","0.0801","0.0828","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029898","9.1187","0.0003","5.06264","0.00019","6.6952","0.0003","90","","91.508","0.003","90","","308.97","0.02","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrazine-3,6dicarboxamide","","","- C4 H4 N6 O2 -","- C4 H4 N6 O2 -","- C8 H8 N12 O4 -","2","0.5","","Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S.","Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors.","The Journal of organic chemistry","2014","79","17","8189","8201","10.1021/jo5014004","powder diffraction","","0.69998","","","","","","","","","","0.048","2.223","","","","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029899","5.31813","0.00016","12.3831","0.0004","12.7743","0.0004","108.423","0.003","94.901","0.002","95.386","0.002","788.69","0.05","293","","170","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(Pentafluorosulfanyl)but-2-enedioic acid","","- C4 H3 F5 O4 S -","- C4 H3 F5 O4 S -","- C16 H12 F20 O16 S4 -","4","2","","Vida, Norbert; Pastýříková, Tereza; Klepetářová, Blanka; Beier, Petr","Synthesis of Aliphatic Sulfur Pentafluorides by Oxidation of SF5-Containing Anisole, Phenols, and Anilines.","The Journal of organic chemistry","2014","79","18","8906","8911","10.1021/jo501562z","","x-ray","1.5418","CuKα","","0.0457","0.0448","","0.0538","0.0535","0.0535","","","","","","1.0993","","","","has coordinates,has disorder","134301","2020-10-21","18:00:00",""
"4029900","9.731","0.003","9.869","0.002","12.3","0.002","71.031","0.002","73.507","0.002","78.962","0.003","1064.7","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 N2 O7 -","- C48 H56 N2 O7 -","- C48 H56 N2 O7 -","1","0.5","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.1035","0.0943","","","0.1947","0.1997","","","","","","1.239","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029901","12.479","0.001","13.945","0.001","14.645","0.001","90","","113.72","0.001","90","","2333.2","0.3","295","1","295","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 O4.5 -","- C50 H64 O4.5 -","- C100 H128 O9 -","2","0.5","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.0973","0.0775","","","0.1954","0.2089","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029902","9.9505","0.0006","15.3979","0.0009","15.463","0.009","82.51","0.001","75.843","0.001","77.234","0.001","2233.1","1.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C48.5 H60 O7 -","- C48.5 H60 O7 -","- C97 H120 O14 -","2","1","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.1021","0.0968","","","0.2431","0.2472","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029903","9.6551","0.0006","18.218","0.001","12.0682","0.0006","90","","105.377","0.003","90","","2046.8","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42.5 H43 Cl N2 O4 S2 -","- C42.5 H43 Cl N2 O4 S2 -","- C85 H86 Cl2 N4 O8 S4 -","2","1","","Chen, Chun-Chih; Gopula, Balraj; Syu, Jin-Fong; Pan, Jhih-Han; Kuo, Ting-Shen; Wu, Ping-Yu; Henschke, Julian P.; Wu, Hsyueh-Liang","Enantioselective and rapid rh-catalyzed arylation of N-tosyl- and N-nosylaldimines in methanol.","The Journal of organic chemistry","2014","79","17","8077","8085","10.1021/jo5012653","","","0.71073","MoKα","","0.1719","0.0919","","","0.2472","0.3111","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029904","7.8655","0.0003","17.0671","0.0004","17.918","0.0006","90","","90","","90","","2405.34","0.13","143.2","0.5","143.2","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Lian, Xiangjin; Guo, Songsong; Wang, Gang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of Spiro[isoxazolin-3,3'-oxindoles] via the Catalytic 1,3-Dipolar Cycloaddition Reaction of Nitrile Oxides.","The Journal of organic chemistry","2014","79","16","7703","7710","10.1021/jo5012625","","","0.7107","MoKα","","0.0544","0.0411","","","0.0735","0.0797","","","","","","0.99","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029905","10.7167","0.0007","11.36","0.0007","11.7847","0.0008","92.87","0.005","116.657","0.007","94.955","0.006","1271.03","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O4 -","- C29 H18 N4 O4 -","- C58 H36 N8 O8 -","2","1","","Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun","Chemoselective Synthesis of Polycyclic Spiroindolines and Polysubstituted Pyrroles via the Domino Reaction of 2-Isocyanoethylindoles.","The Journal of organic chemistry","2014","79","18","8577","8583","10.1021/jo501143m","","","0.71073","MoKα","","0.1278","0.0828","","","0.2248","0.2654","","","","","","1.028","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029906","9.3617","0.0005","10.2507","0.0006","15.3883","0.0008","93.759","0.005","95.647","0.005","102.436","0.005","1429.35","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","2","","Mahendar, Lodi; Gopi Krishna Reddy, Alavala; Krishna, Jonnada; Satyanarayana, Gedu","[Cu]-Catalyzed Domino Sonogashira Coupling Followed by Intramolecular 5-exo-dig Cyclization: Synthesis of 1,3-Dihydro-2-benzofurans.","The Journal of organic chemistry","2014","79","18","8566","8576","10.1021/jo501137q","","","1.54184","CuKα","","0.0523","0.0412","","","0.1072","0.116","","","","","","1.041","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029907","14.686","0.003","14.693","0.003","19.515","0.005","80.48","0.015","78.54","0.014","61.55","0.012","3616.4","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H61 N5 O -","- C90 H60.99 N5 O0.99 -","- C180 H121.98 N10 O1.98 -","2","1","","Li, Yanbang; Gan, Liangbing","Selective Addition of Secondary Amines to C60: Formation of Penta- and Hexaamino[60]fullerenes.","The Journal of organic chemistry","2014","79","18","8912","8916","10.1021/jo5015867","","","0.71073","MoKα","","0.1627","0.1172","","","0.2798","0.3003","","","","","","1.415","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029908","14.0793","0.0008","14.234","0.0009","16.9088","0.001","67.063","0.006","88.451","0.005","61.28","0.006","2682.4","0.4","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H41 N5 O S4 -","- C82 H40 N5 O S4 -","- C164 H80 N10 O2 S8 -","2","1","","Li, Yanbang; Gan, Liangbing","Selective Addition of Secondary Amines to C60: Formation of Penta- and Hexaamino[60]fullerenes.","The Journal of organic chemistry","2014","79","18","8912","8916","10.1021/jo5015867","","","0.7107","MoKα","","0.1234","0.0712","","","0.1543","0.1914","","","","","","1.029","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029909","10.5531","0.0005","12.5597","0.0005","12.6208","0.0011","96.964","0.005","103.03","0.006","90.128","0.004","1616.96","0.18","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 S -","- C22 H18 S -","- C88 H72 S4 -","4","2","","Hossain, Mohammad Lokman; Ye, Fei; Liu, Zhenxing; Xia, Ying; Shi, Yi; Zhou, Lei; Zhang, Yan; Wang, Jianbo","Synthesis of Phenanthrenes through Copper-Catalyzed Cross-Coupling of N-Tosylhydrazones with Terminal Alkynes.","The Journal of organic chemistry","2014","79","18","8689","8699","10.1021/jo501489c","","","0.7107","MoKα","","0.0638","0.044","","","0.1042","0.1167","","","","","","1.017","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029910","12.4927","0.0004","6.17535","0.00017","16.8213","0.0005","90","","104.242","0.003","90","","1257.82","0.07","99.97","0.13","99.97","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","2","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0446","0.0401","","","0.1005","0.1042","","","","","","0.832","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029911","6.9853","0.0005","7.1516","0.0005","12.7164","0.0007","79.339","0.005","80.647","0.005","88.762","0.005","615.97","0.07","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0408","0.038","","","0.1056","0.1088","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029912","7.0387","0.0005","8.9608","0.0008","9.3606","0.0009","111.215","0.009","102.239","0.008","107.014","0.007","491.7","0.1","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0342","0.0331","","","0.084","0.0849","","","","","","1.001","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029913","12.2312","0.0003","10.0207","0.0003","10.3349","0.0002","90","","91.72","0.002","90","","1266.13","0.05","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0362","0.0324","","","0.0812","0.0836","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029914","18.9743","0.0011","5.115","0.0003","10.7934","0.0006","90","","99.83","0.006","90","","1032.16","0.1","99.95","0.13","99.95","0.13","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0464","0.0458","","","0.1199","0.1207","","","","","","1.002","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029915","7.73155","0.00006","24.5151","0.0002","13.61877","0.0001","90","","91.9617","0.0007","90","","2579.79","0.03","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","2","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0357","0.0335","","","0.0812","0.083","","","","","","1.003","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029916","10.4727","0.0006","9.8328","0.0006","11.28","0.001","90","","109.31","0.008","90","","1096.22","0.14","99.98","0.14","99.98","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0368","0.0325","","","0.086","0.0895","","","","","","1.003","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029917","13.2824","0.0003","9.79556","0.00019","9.33453","0.00016","90","","94.5724","0.0016","90","","1210.64","0.04","99.96","0.17","99.96","0.17","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0418","0.0317","","","0.0758","0.0793","","","","","","1.002","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029918","15.7368","0.0009","16.751","0.001","21.3729","0.0014","96.646","0.003","100.085","0.003","111.312","0.002","5067.9","0.5","100","1","100","1","","","","","","","","5","P -1","-P 1","2","Pt-5,15-(3,5-dibutoxycarbonylphenyl)-syn-dibenzoporphyrin","","","- C60 H56 N4 O8 Pt -","- C60 H56 N4 O8 Pt -","- C240 H224 N16 O32 Pt4 -","4","2","","Esipova, Tatiana V.; Vinogradov, Sergei A.","Synthesis of Phosphorescent Asymmetrically π-Extended Porphyrins for Two-Photon Applications.","The Journal of organic chemistry","2014","79","18","8812","8825","10.1021/jo501521x","","","0.71073","MoKα","","0.1209","0.0602","","","0.1449","0.1864","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029919","6.3309","0.0007","21.2857","0.0017","10.2101","0.0008","90","","94.018","0.008","90","","1372.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.0828","0.0571","","","0.1264","0.1432","","","","","","1.029","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029920","12.71","0.02","5.3452","0.0015","30.525","0.018","90","","95.94","0.02","90","","2063","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","2","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.2047","0.0806","","","0.1396","0.1863","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029921","9.594","0.006","11.315","0.007","13.443","0.007","90","","94.37","0.05","90","","1455.1","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.1413","0.0771","","","0.1904","0.2395","","","","","","0.941","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029922","8.2291","0.0008","9.9232","0.001","13.4701","0.0013","88.964","0.001","76.241","0.001","66.242","0.001","974.11","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C46 H42 N6 O4 -","2","1","","He, Xinwei; Shang, Yongjia; Yu, Zhiyu; Fang, Mei; Zhou, Yao; Han, Guang; Wu, Fuli","FeCl3-Catalyzed Four-Component Nucleophilic Addition/Intermolecular Cyclization Yielding Polysubstituted Pyridine Derivatives.","The Journal of organic chemistry","2014","79","18","8882","8888","10.1021/jo5014383","","","0.71073","MoKα","","0.0666","0.0494","","","0.1339","0.154","","","","","","1.037","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029923","8.0882","0.0007","18.5212","0.0015","14.2817","0.0012","90","","104.474","0.001","90","","2071.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","1","","He, Xinwei; Shang, Yongjia; Yu, Zhiyu; Fang, Mei; Zhou, Yao; Han, Guang; Wu, Fuli","FeCl3-Catalyzed Four-Component Nucleophilic Addition/Intermolecular Cyclization Yielding Polysubstituted Pyridine Derivatives.","The Journal of organic chemistry","2014","79","18","8882","8888","10.1021/jo5014383","","","0.71073","MoKα","","0.0796","0.0552","","","0.1485","0.167","","","","","","1.054","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029924","10.823","0.003","18.18","0.004","13.015","0.003","90","","95.063","0.007","90","","2550.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.152","0.0753","","","0.138","0.1676","","","","","","1.017","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029925","6.3207","0.0002","15.0052","0.0005","22.6397","0.0007","93.288","0.003","93.164","0.003","90.947","0.003","2140.01","0.12","140","2","140","1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H21 N3 -","- C30 H21 N3 -","- C120 H84 N12 -","4","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71073","Mo-Kα","","0.0787","0.0476","","","0.0799","0.0886","","","","","","1.021","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029926","6.2684","0.0002","15.0958","0.0005","25.284","0.0017","92.532","0.007","91.034","0.006","91.031","0.006","2389.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N3 O2 -","- C32 H25 N3 O2 -","- C128 H100 N12 O8 -","4","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.1043","0.056","","","0.108","0.1242","","","","","","1.03","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029927","9.8801","0.0008","10.3199","0.0009","14.6283","0.0013","80.05","0.006","71.94","0.005","63.397","0.005","1266.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 B F2 N3 O2 -","- C32 H24 B F2 N3 O2 -","- C64 H48 B2 F4 N6 O4 -","2","1","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.1315","0.0613","","","0.1276","0.1578","","","","","","0.96","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029928","9.6515","0.0003","14.4863","0.0014","20.1681","0.0014","90","","98.122","0.005","90","","2791.5","0.3","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31.5 H28 B Cl Fe N P -","- C31.5 H28 B Cl Fe N P -","- C126 H112 B4 Cl4 Fe4 N4 P4 -","4","2","","Utepova, Irina A.; Chupakhin, Oleg N.; Serebrennikova, Polina O.; Musikhina, Alexandra A.; Charushin, Valery N.","Two approaches in the synthesis of planar chiral azinylferrocenes.","The Journal of organic chemistry","2014","79","18","8659","8667","10.1021/jo5014299","","","0.71073","MoKα","","0.0945","0.0435","","","0.099","0.1057","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029929","16.043","0.002","5.0891","0.0007","24.389","0.003","90","","101.335","0.009","90","","1952.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Gogoi, Paramartha; Das, Vijay K.; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Tetrahydrofurans via Prins Cyclization of Enol Ethers.","The Journal of organic chemistry","2014","79","18","8592","8598","10.1021/jo501197y","","","0.71073","MoKα","","0.2206","0.0791","","","0.1835","0.2315","","","","","","1.28","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029930","11.0213","0.0003","17.4606","0.0004","8.8968","0.0004","90","","99.669","0.001","90","","1687.77","0.1","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","1","","Lago-Santomé, Hugo; Martínez-Bescos, Patricia; Fernández-González, Marta; Ozores-Viturro, Lidia; Cagide-Fagín, Fernando; Alonso, Ricardo","β-Aryl-α-nitro-α,β-enals as Heterodienes and Dienophiles.","The Journal of organic chemistry","2014","79","18","8645","8651","10.1021/jo501418u","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0824","0.0851","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029931","10.1068","0.0003","11.4613","0.0003","20.4388","0.0007","77.611","0.003","83.791","0.003","79.541","0.002","2268.11","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H57 Br3 N6 O3 -","- C39 H57 Br3 N6 O3 -","- C78 H114 Br6 N12 O6 -","2","2","","Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio","Chiral imidazolium receptors for citrate and malate: the importance of the preorganization.","The Journal of organic chemistry","2014","79","19","9141","9149","10.1021/jo5014977","","","1.54184","CuKα","","0.1178","0.0999","","","0.3166","0.3346","","","","","","1.347","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029932","23.4217","0.0018","7.2389","0.0004","8.3178","0.0006","90","","110.206","0.006","90","","1323.47","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Br2 N4 O2 -","- C26 H36 Br2 N4 O2 -","- C52 H72 Br4 N8 O4 -","2","0.5","","Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio","Chiral imidazolium receptors for citrate and malate: the importance of the preorganization.","The Journal of organic chemistry","2014","79","19","9141","9149","10.1021/jo5014977","","","0.71073","MoKα","","0.0406","0.0392","","","0.1053","0.1063","","","","","","1.063","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029933","19.096","0.002","8.8874","0.001","24.908","0.003","90","","90","","90","","4227.2","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C176 H176 N48 O16 -","16","2","","Rajam, Sridhar; Jadhav, Abhijit V.; Li, Qian; Sarkar, Sujan K.; Singh, Pradeep N. D.; Rohr, Ahleah; Pace, Tamara C. S.; Li, Rui; Krause, Jeanette A.; Bohne, Cornelia; Ault, Bruce S.; Gudmundsdottir, Anna D.","Triplet sensitized photolysis of a vinyl azide: direct detection of a triplet vinyl azide and nitrene.","The Journal of organic chemistry","2014","79","19","9325","9334","10.1021/jo501898p","","","0.7749","synchrotron","","0.0503","0.0395","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029934","16.6232","0.0002","8.487","0.0001","24.2138","0.0002","90","","109.581","0.001","90","","3218.55","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","2","","Danilkina, N. A.; Kulyashova, A. E.; Khlebnikov, A. F.; Bräse, S; Balova, I. A.","Electrophilic cyclization of aryldiacetylenes in the synthesis of functionalized enediynes fused to a heterocyclic core.","The Journal of organic chemistry","2014","79","19","9018","9045","10.1021/jo501396s","","","1.5418","CuKα","","0.0479","0.047","","","0.1295","0.1303","","","","","","1.064","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029935","13.361","0.002","16.306","0.003","20.844","0.003","74.337","0.003","75.436","0.003","81.902","0.003","4219","1.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Leu-Leu-Ac5N3)2-OMe","","- C42 H70 N18 O9 -","- C42 H70 N18 O9 -","- C126 H210 N54 O27 -","3","3","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.1013","0.0864","","","0.2284","0.2459","","","","","","1.023","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029936","12.2673","0.001","18.0264","0.0014","54.885","0.004","90","","90","","90","","12137","1.6","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Ac5N3)6-OMe","","- C42 H54 N42 O9 -","- C42 H54 N42 O9 -","- C336 H432 N336 O72 -","8","2","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0945","0.0879","","","0.2505","0.2593","","","","","","1.085","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029937","23.275","0.002","38.487","0.003","11.2451","0.001","90","","90","","90","","10073.2","1.5","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Leu-Ac5N3)4-OMe","","- C78 H128 N36 O15 -","- C78 H128 N36 O15 -","- C312 H512 N144 O60 -","4","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0893","0.0765","","","0.2187","0.2343","","","","","","1.033","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029938","10.867","0.0007","23.2902","0.0018","15.3789","0.0011","90","","93.761","0.002","90","","3883.9","0.5","143","2","143","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-(R,R)Ac5(N3))3-OMe.MeOH","","- C61 H103 N27 O13 -","- C61 H103 N27 O13 -","- C122 H206 N54 O26 -","2","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.7107","MoKα","","0.1254","0.089","","","0.2152","0.2434","","","","","","1.03","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029939","7.0598","0.0004","8.494","0.0005","10.5944","0.0006","97.816","0.003","93.664","0.002","113.447","0.003","572.54","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","6H-quinazolino[4,3-b]quinazoline-6,8(5H)-dione","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C30 H18 N6 O4 -","2","1","","Bergman, Jan; Arewång, Carl-Johan; Svensson, Per H.","Oxidative ring expansion of spirocyclic oxindole derivatives.","The Journal of organic chemistry","2014","79","19","9065","9073","10.1021/jo501269f","","","0.71073","MoKα","","0.0739","0.0415","","","0.1014","0.1117","","","","","","1.056","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4029940","8.1501","0.0004","17.73","0.0008","17.8702","0.0009","111.23","0.001","90.19","0.001","98.07","0.002","2379.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","13-Hydroxyimino-6H-quinoazolino[3,4-a]quinazoline-6 (7H)-one","","- C15 H10 N4 O2 -","- C15 H10 N4 O2 -","- C120 H80 N32 O16 -","8","4","","Bergman, Jan; Arewång, Carl-Johan; Svensson, Per H.","Oxidative ring expansion of spirocyclic oxindole derivatives.","The Journal of organic chemistry","2014","79","19","9065","9073","10.1021/jo501269f","","","0.7","synchrotron","","0.0706","0.0687","","","0.2169","0.2181","","","","","","1.002","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4029941","40.0502","0.001","23.755","0.0005","28.4445","0.0006","90","","129.97","0.0007","90","","20739.6","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H72 Cl4 Ir2 O2 P2 -","- C50 H72 Cl4 Ir2 O2 P2 -","- C800 H1152 Cl64 Ir32 O32 P32 -","16","2","","Nagata, Tomoya; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Iridium-catalyzed annulative coupling of 2-arylbenzoyl chlorides with alkynes: selective formation of phenanthrene derivatives.","The Journal of organic chemistry","2014","79","19","8960","8967","10.1021/jo501835u","","","0.71073","MoKα","","0.0625","0.0411","","","0.0917","0.1008","","","","","","1.011","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029942","16.672","0.0012","9.9486","0.0007","18.7198","0.0013","90","","90.02","","90","","3104.9","0.4","102","2","102","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 N6 O4 -","- C41 H30 N6 O4 -","- C164 H120 N24 O16 -","4","0.5","","Banerjee, Swagata; Bright, Sandra A.; Smith, Jayden A.; Burgeat, Jeremy; Martinez-Calvo, Miguel; Williams, D. Clive; Kelly, John M.; Gunnlaugsson, Thorfinnur","Supramolecular Approach to Enantioselective DNA Recognition Using Enantiomerically Resolved Cationic 4-Amino-1,8-naphthalimide-Based Tröger's Bases.","The Journal of organic chemistry","2014","79","19","9272","9283","10.1021/jo501711g","","x-ray","0.71073","MoKα","","","0.0391","","","0.0971","0.1055","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029943","8.9801","0.0001","6.8503","0.0001","10.1338","0.0002","90","","102.746","0.002","90","","608.033","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0441","0.0434","","","0.1223","0.1234","","","","","","1.068","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029944","8.1569","0.00007","9.74184","0.00008","8.33981","0.00006","90","","101.428","0.0007","90","","649.569","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0277","0.0267","","","0.07","0.071","","","","","","1.058","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029945","5.7152","0.0009","10.2166","0.0016","11.0264","0.0017","63.897","0.005","84.349","0.006","77.26","0.005","563.93","0.15","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 O6 S2 -","- C22 H30 O6 S2 -","- C22 H30 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0362","","","","0.099","","","","","","1.047","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029946","8.0141","0.0013","25.471","0.005","7.4012","0.0012","90","","99.659","0.007","90","","1489.4","0.5","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 O6 S2 -","- C26 H36 Br2 O6 S2 -","- C52 H72 Br4 O12 S4 -","2","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0673","","","","0.1428","","","","","","1.199","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029947","5.6618","0.0009","9.0551","0.0015","13.657","0.002","102.316","0.007","90.782","0.006","96.64","0.007","678.94","0.19","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H38 O6 S2 -","- C26 H38 O6 S2 -","- C26 H38 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0673","","","","0.1936","","","","","","1.038","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029948","13.1978","0.0016","22.799","0.003","6.8177","0.0008","90","","98.9986","0.0016","90","","2026.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O S2 -","- C25 H19 N O S2 -","- C100 H76 N4 O4 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0669","0.0413","","","0.0952","0.1112","","","","","","1.076","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029949","5.516","0.002","9.667","0.004","11.016","0.004","72.675","0.007","86.768","0.008","88.228","0.008","559.8","0.4","90","2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","1","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0962","0.0805","","","0.1965","0.2042","","","","","","1.184","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029950","17.4801","0.0002","24.8084","0.0003","10.8082","0.0002","90","","105.87","0.0006","90","","4508.36","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H19.5 Cl1.5 N O S2 -","- C25.5 H19.5 Cl1.5 N O S2 -","- C204 H156 Cl12 N8 O8 S16 -","8","2","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.0561","0.0533","","","0.1552","0.159","","","","","","1.044","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029951","17.0701","0.0013","10.6332","0.0009","11.9628","0.0011","90","","106.038","0.006","90","","2086.9","0.3","90","0.1","90","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 S2 -","- C28 H18 N2 S2 -","- C112 H72 N8 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.1234","0.0805","","","0.2046","0.23","","","","","","1.06","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029952","11.6513","0.0002","12.2564","0.0002","15.2898","0.0003","90","","90","","90","","2183.43","0.07","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.0573","0.0489","","","0.1258","0.1408","","","","","","1.245","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029953","6.5738","0.0006","8.9116","0.0008","17.237","0.0015","90","","97.4332","0.0013","90","","1001.31","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 S2 -","- C24 H26 N2 S2 -","- C48 H52 N4 S4 -","2","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0475","0.0388","","","0.0884","0.0922","","","","","","1.045","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029954","20.5364","0.0008","5.4027","0.0002","18.7745","0.0009","90","","90","","90","","2083.07","0.15","90","2","90.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H18 N2 S2 -","- C28 H18 N2 S2 -","- C112 H72 N8 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.036","0.0334","","","0.0861","0.0879","","","","","","1.05","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029955","5.429","0.004","8.743","0.005","16.342","0.011","96.3","0.03","96.6","0.03","92.33","0.03","764.8","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","","Holland, Ryan J.; Klose, John R.; Deschamps, Jeffrey R.; Cao, Zhao; Keefer, Larry K.; Saavedra, Joseph E.","Direct reaction of amides with nitric oxide to form diazeniumdiolates.","The Journal of organic chemistry","2014","79","19","9389","9393","10.1021/jo501670e","","","0.71073","MoKα","","0.2446","0.0772","","","0.1677","0.2435","","","","","","0.703","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029956","18.3109","0.0019","10.8087","0.0009","20.0132","0.0016","90","","109.785","0.004","90","","3727.1","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C160 H144 N32 O24 -","8","1","","Holland, Ryan J.; Klose, John R.; Deschamps, Jeffrey R.; Cao, Zhao; Keefer, Larry K.; Saavedra, Joseph E.","Direct reaction of amides with nitric oxide to form diazeniumdiolates.","The Journal of organic chemistry","2014","79","19","9389","9393","10.1021/jo501670e","","","0.71073","MoKα","","0.0863","0.0454","","","0.1252","0.1423","","","","","","0.839","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029957","6.244","0.0006","14.7133","0.0014","29.145","0.003","90","","90","","90","","2677.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0644","0.0586","","","0.1672","0.1775","","","","","","1.06","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029958","14.7136","0.0015","6.2522","0.0006","29.166","0.003","90","","90","","90","","2683","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0646","0.0596","","","0.1716","0.1792","","","","","","1.049","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029959","7.9222","0.0004","9.853","0.0004","20.0514","0.001","90","","92.404","0.002","90","","1563.78","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O5 S Si -","- C29 H45 N O5 S Si -","- C58 H90 N2 O10 S2 Si2 -","2","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0453","0.0413","","","0.1108","0.1146","","","","","","1.037","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029960","5.1338","0.0001","15.8134","0.0004","20.2951","0.0005","90","","90","","90","","1647.61","0.07","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C64 H88 N8 O16 S4 -","4","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0348","0.0328","","","0.0917","0.0936","","","","","","1.067","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029961","27.15","0.009","15.576","0.005","8.563","0.003","90","","90","","90","","3621","2","243","2","243","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 Cl N Rh -","- C18 H23 Cl N Rh -","- C144 H184 Cl8 N8 Rh8 -","8","2","","Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook","C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.","The Journal of organic chemistry","2014","79","19","9094","9103","10.1021/jo501465q","","","0.71073","MoKα","","0.1282","0.0495","","","0.0639","0.0861","","","","","","0.785","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029962","7.441","0.0004","15.3649","0.0008","16.7791","0.0009","90","","95.969","0.001","90","","1907.96","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N O Rh -","- C18 H26 Cl2 N O Rh -","- C72 H104 Cl8 N4 O4 Rh4 -","4","1","","Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook","C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.","The Journal of organic chemistry","2014","79","19","9094","9103","10.1021/jo501465q","","","0.71073","MoKα","","0.0889","0.0397","","","0.0692","0.088","","","","","","0.963","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029963","11.645","0.002","7.142","0.0014","21.215","0.004","90","","99.78","0.03","90","","1738.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Cl N O4 -","- C22 H12 Cl N O4 -","- C88 H48 Cl4 N4 O16 -","4","1","","Zhang, Zhenming; Ouyang, Lu; Wu, Wanqing; Li, Jianxiao; Zhang, Zhicai; Jiang, Huanfeng","Palladium-catalyzed intermolecular oxyvinylcyclization of alkenes with alkynes: an approach to 3-methylene γ-lactones and tetrahydrofurans.","The Journal of organic chemistry","2014","79","22","10734","10742","10.1021/jo501606c","","","0.71073","MoKα","","0.1797","0.0904","","","0.2727","0.3441","","","","","","0.965","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029964","12.4071","0.0007","12.8438","0.0007","11.3777","0.0006","90","","115.763","0.003","90","","1632.86","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Yang, Yuanfa; Wang, Lina; Zhang, Fang; Zhu, Gangguo","Preparation of (Z)-α,β-Disubstituted Enamides via Palladium-Catalyzed Addition of Boronic Acids to Ynamides.","The Journal of organic chemistry","2014","79","19","9319","9324","10.1021/jo501894j","","","0.71073","MoKα","","","0.0439","","","0.1199","0.1322","","","","","","1.055","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029965","28.0291","0.0006","25.3002","0.0005","13.8427","0.0004","90","","90","","90","","9816.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H66 Br2 O9 Si2 -","- C48 H66 Br2 O9 Si2 -","- C384 H528 Br16 O72 Si16 -","8","2","","Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk","Total synthesis of the proposed structure of trichodermatide a.","The Journal of organic chemistry","2014","79","20","9812","9817","10.1021/jo501206k","","","0.71073","MoKα","","0.0784","0.0405","","","0.0688","0.073","","","","","","0.816","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029966","5.1037","0.0003","12.7494","0.0007","31.1738","0.0017","90","","92.531","0.003","90","","2026.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk","Total synthesis of the proposed structure of trichodermatide a.","The Journal of organic chemistry","2014","79","20","9812","9817","10.1021/jo501206k","","","0.71073","MoKα","","0.1762","0.0625","","","0.106","0.1292","","","","","","0.939","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029971","19.928","0.004","6.3285","0.0013","13.209","0.003","90","","91.27","0.03","90","","1665.4","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","0.5","","Wan, Jie-Ping; Zhou, Youyi; Cao, Shuo","Domino reactions involving the branched C-N and c═c cleavage of enaminones toward pyridines synthesis.","The Journal of organic chemistry","2014","79","20","9872","9877","10.1021/jo5018266","","","0.71073","MoKα","","0.0592","0.0372","","","0.0904","0.108","","","","","","1.134","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029972","20.891","0.0004","16.1795","0.0003","10.0364","0.0003","90","","90","","90","","3392.36","0.14","291","2","291.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H38.25 Cl N2 O2.13 P Pd -","- C38 H28 Cl N2 O2.125 P Pd -","- C152 H112 Cl4 N8 O8.5 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.7107","MoKα","","0.0529","0.0428","","","0.0911","0.0968","","","","","","1.044","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029973","7.9822","0.0002","17.328","0.0005","17.6516","0.0007","90","","90","","90","","2441.49","0.13","291","2","291.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl N O3 P Pd -","- C27 H23 Cl N O3 P Pd -","- C108 H92 Cl4 N4 O12 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.71073","MoKα","","0.0392","0.0318","","","0.0597","0.063","","","","","","1.043","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029974","5.9141","0.0002","11.5887","0.0003","21.4526","0.0006","90","","93.276","0.002","90","","1467.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C76 H48 Br4 N4 O4 -","4","1","","Wang, Fuyao; Shen, Yongmiao; Hu, Huayou; Wang, Xiangshan; Wu, Hui; Liu, Yun","Copper(II)-Catalyzed Indolizines Formation Followed by Dehydrogenative Functionalization Cascade to Synthesize 1-Bromoindolizines.","The Journal of organic chemistry","2014","79","20","9556","9566","10.1021/jo501626b","","","0.71073","MoKα","","0.0429","0.0342","","","0.0861","0.0909","","","","","","1.113","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029975","9.6062","0.0014","18.877","0.003","20.063","0.003","107.633","0.009","98.257","0.01","97.712","0.009","3369.8","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H36 N2 O5 -","- C27 H35.8 N2 O5 -","- C135 H179 N10 O25 -","5","5","","Das, Sayantan; Goswami, Rajib Kumar","Stereoselective total synthesis of marine cyclodepsipeptide calcaripeptides a-C.","The Journal of organic chemistry","2014","79","20","9778","9791","10.1021/jo5019798","","","0.71073","MoKα","","0.1944","0.081","","","0.1786","0.2526","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4029976","11.2752","0.0004","10.1733","0.0004","15.1181","0.0005","90","","94.113","0.002","90","","1729.67","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trp031014","trp031014","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0455","0.0364","","","0.0968","0.1038","","","","","","1.04","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029977","12.0741","0.0008","13.1671","0.0008","22.1093","0.0014","90","","90","","90","","3515","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","trp030514","trp030514","","- C20 H24 N O3 -","- C20 H24 N O3 -","- C160 H192 N8 O24 -","8","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0571","0.0397","","","0.0965","0.1058","","","","","","1.012","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029978","11.094","0.004","12.716","0.004","13.616","0.005","72.135","0.005","74.147","0.006","82.734","0.006","1756.8","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N2 O2 S2 -","- C44 H36 N2 O2 S2 -","- C88 H72 N4 O4 S4 -","2","1","","Ganapathi, Emandi; Lee, Way-Zen; Ravikanth, Mangalampalli","Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis, structure, spectral, electrochemical, and metal ion sensing studies.","The Journal of organic chemistry","2014","79","20","9603","9612","10.1021/jo501724d","","","0.71073","MoKα","","0.1486","0.066","","","0.1546","0.2058","","","","","","1","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029979","9.779","0.005","15.51","0.009","15.774","0.008","115.884","0.01","104.725","0.009","90.077","0.01","2064.4","1.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H33 I N2 O2 S2 -","- C43 H33 I N2 O2 S2 -","- C86 H66 I2 N4 O4 S4 -","2","1","","Ganapathi, Emandi; Lee, Way-Zen; Ravikanth, Mangalampalli","Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis, structure, spectral, electrochemical, and metal ion sensing studies.","The Journal of organic chemistry","2014","79","20","9603","9612","10.1021/jo501724d","","","0.71073","MoKα","","0.2586","0.0986","","","0.2239","0.315","","","","","","1.314","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029980","8.3116","0.0002","7.9434","0.0002","12.1109","0.0003","90","","91.6599","0.0013","90","","799.25","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0383","0.033","","0.0813","0.0763","0.0813","","","","","","0.9267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029981","8.0958","0.0001","15.5197","0.0003","21.6546","0.0003","90","","90","","90","","2720.78","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O6 -","- C28 H39 N O6 -","- C112 H156 N4 O24 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0374","0.0324","","0.0806","0.0784","0.0806","","","","","","0.9869","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029982","6.5462","0.0002","8.6135","0.0003","15.1907","0.0005","90","","90","","90","","856.54","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0236","0.0223","","0.0553","0.0546","0.0553","","","","","","1.0186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029983","5.09924","0.00011","8.14026","0.00019","20.2137","0.0004","90","","91.852","0.002","90","","838.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O8 -","- C14 H21 N O8 -","- C28 H42 N2 O16 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","1.54184","CuKα","","0.0373","0.036","","0.0948","0.0926","0.0948","","","","","","1.0053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029984","8.0389","0.0007","22.5581","0.0018","12.9197","0.0011","90","","91.043","0.006","90","","2342.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 B3 N4 P -","- C25 H36 B N2 P -","- C100 H144 B4 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0794","0.0411","","","0.1081","0.1426","","","","","","0.978","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029985","13.7887","0.0008","11.9484","0.0006","15.2068","0.0008","90","","97.149","0.002","90","","2485.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 B N2 P -","- C25 H42 B N2 P -","- C100 H168 B4 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0428","0.0418","","","0.1473","0.1521","","","","","","1.403","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029986","12.0541","0.0003","16.1202","0.0004","15.0576","0.0003","90","","92.0953","0.0012","90","","2923.95","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 B2 F4 N2 P -","- C25 H49 B2 F4 N2 P -","- C100 H196 B8 F16 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0601","0.0468","","","0.13","0.1374","","","","","","1.381","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029987","11.3394","0.0005","13.9575","0.0007","14.6789","0.0008","93.95","0.003","90.335","0.002","104.56","0.002","2242.63","0.19","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 B N2 P -","- C23 H34 B N2 P -","- C92 H136 B4 N8 P4 -","4","2","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0743","0.0628","","","0.1796","0.1853","","","","","","1.904","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029988","18.637","0.004","7.6745","0.0016","11.725","0.003","90","","101.421","0.016","90","","1643.8","0.7","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Okamoto, Noriko; Sueda, Takuya; Yanada, Reiko","Bi(OTf)3-Catalyzed Tandem Meyer-Schuster Rearrangement and 1,4-Addition to the Resulting Vinyl Ketone.","The Journal of organic chemistry","2014","79","20","9854","9859","10.1021/jo5017663","","","1.54187","CuKα","","","0.0421","","","","0.0717","","","","","","1.034","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029989","3.838","0.0004","7.3609","0.0008","16.283","0.0017","90","","92.324","0.01","90","","459.63","0.08","100.05","0.1","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 N4 S3 -","- C7 H6 N4 S3 -","- C14 H12 N8 S6 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0473","0.0432","","","0.101","0.1051","","","","","","1.062","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029990","7.9239","0.0007","8.1833","0.0006","11.9333","0.0011","86.14","0.007","78.319","0.008","65.964","0.008","691.97","0.11","100","3","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 N5 S2 -","- C11 H17 N5 S2 -","- C22 H34 N10 S4 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.066","0.0503","","","0.1343","0.1466","","","","","","1.076","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029991","3.922","0.0003","16.852","0.0014","13.4334","0.0011","90","","94.338","0.008","90","","885.32","0.12","100.05","0.1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 S2 -","- C7 H6 N4 S2 -","- C28 H24 N16 S8 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0445","0.0392","","","0.0979","0.1006","","","","","","1.052","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029992","9.7319","0.0004","18.6419","0.0009","9.2096","0.0005","90","","94.93","0.004","90","","1664.63","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 S3 -","- C14 H12 N8 S3 -","- C56 H48 N32 S12 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0497","0.0438","","","0.1176","0.1222","","","","","","1.062","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029993","7.8861","0.0006","8.2893","0.001","8.3398","0.0009","113.381","0.011","99.47","0.008","97.678","0.008","481.53","0.1","100.05","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N4 S3 -","- C7 H6 N4 S3 -","- C14 H12 N8 S6 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0602","0.0442","","","0.0965","0.1059","","","","","","1.036","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029996","11.2767","0.0007","5.3947","0.0003","11.4249","0.0008","90","","108.049","0.003","90","","660.83","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br N O5 -","- C12 H12 Br N O5 -","- C24 H24 Br2 N2 O10 -","2","1","","Roy, Suparna; Chen, Kan-Fu; Gurubrahamam, Ramani; Chen, Kwunmin","Organocatalytic kinetic resolution of racemic secondary nitroallylic alcohols combined with simultaneous desymmetrization of prochiral cyclic anhydrides.","The Journal of organic chemistry","2014","79","19","8955","8959","10.1021/jo501882q","","","0.71073","MoKα","","0.0222","0.0196","","","0.0429","0.0435","","","","","","0.935","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029997","8.1739","0.0005","11.6246","0.0007","22.2901","0.0013","90","","90","","90","","2118","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl2 N2 O2 -","- C19 H18 Cl2 N2 O2 -","- C76 H72 Cl8 N8 O8 -","4","1","","Zhu, Ren-Yi; Wang, Cong-Shuai; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Organocatalytic asymmetric inverse-electron-demand 1,3-dipolar cycloaddition of n,n'-cyclic azomethine imines.","The Journal of organic chemistry","2014","79","19","9305","9312","10.1021/jo5018469","","","0.71073","MoKα","","0.0705","0.0543","","","0.1532","0.1622","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029998","10.2176","0.0001","10.2887","0.0002","24.2502","0.0003","90","","90","","90","","2549.32","0.06","175","","175","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N O5 -","- C26 H39 N O5 -","- C104 H156 N4 O20 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0381","0.0376","","","0.0945","0.0953","","","","","","1.07","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029999","25.5016","0.0005","25.5016","0.0005","5.8826","0.0001","90","","90","","120","","3313.1","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 32","P 32","145","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C126 H192 O30 -","6","2","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0512","0.0477","","","0.1379","0.1421","","","","","","1.075","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4030000","8.2272","0.0004","18.3055","0.0008","18.5334","0.0009","90","","90","","90","","2791.2","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Br N O5 S -","- C28 H38 Br N O5 S -","- C112 H152 Br4 N4 O20 S4 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0281","0.0276","","","0.0743","0.0747","","","","","","1.041","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030001","9.636","0.00009","9.3346","0.00009","10.4933","0.0001","90","","100.023","0.0003","90","","929.448","0.015","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","x-ray","1.54178","CuKα","","0.0278","0.0276","","","0.0729","0.0731","","","","","","1.038","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030002","13.884","0.003","14.04","0.003","14.355","0.003","118.32","0.03","92.91","0.03","103.95","0.03","2345.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 N4 O8 S2 -","- C52 H47 N4 O8 S2 -","- C104 H94 N8 O16 S4 -","2","1","","Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi","From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.","The Journal of organic chemistry","2014","79","20","9865","9871","10.1021/jo501785d","","","0.71073","MoKα","","0.2024","0.0782","","","0.1656","0.2142","","","","","","0.953","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030003","10.44","0.002","13.354","0.003","17.733","0.004","89.41","0.03","85.38","0.03","72.64","0.03","2351.7","1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","2","","Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi","From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.","The Journal of organic chemistry","2014","79","20","9865","9871","10.1021/jo501785d","","","0.71073","MoKα","","0.063","0.0505","","","0.1376","0.145","","","","","","1.088","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030004","6.4801","0.0002","7.5911","0.0002","9.3705","0.0003","89.089","0.002","85.416","0.002","66.739","0.003","422.06","0.02","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C18 H16 O8 -","2","1","","Hodgson, David M.; Man, Stanislav; Powell, Kimberley J.; Perko, Ziga; Zeng, Minxiang; Moreno-Clavijo, Elena; Thompson, Amber L.; Moore, Michael D.","Intramolecular oxonium ylide formation-[2,3] sigmatropic rearrangement of diazocarbonyl-substituted cyclic unsaturated acetals: a formal synthesis of hyperolactone C.","The Journal of organic chemistry","2014","79","20","9728","9734","10.1021/jo501893r","","","1.5418","CuKα","","0.0294","0.0288","","0.0726","0.0721","0.0726","","","","","","1.0024","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030005","9.58","0.004","10.49","0.004","20.176","0.007","90","","90","","90","","2027.6","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 O S2 -","- C25 H18 O S2 -","- C100 H72 O4 S8 -","4","1","","Liu, Changhui; Gu, Yanlong","Synthesis of Densely Substituted 1,3-Butadienes through Acid-Catalyzed Alkenylations of α-Oxoketene Dithioacetals with Aldehydes.","The Journal of organic chemistry","2014","79","20","9619","9627","10.1021/jo5017234","","","0.71073","MoKα","","0.0653","0.0476","","","0.1377","0.1555","","","","","","1.004","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030006","12.0216","0.0002","18.9542","0.0003","27.6717","0.0019","90","","90","","90","","6305.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78.2 H64.4 N O8.6 P -","- C73 H54 N O6 P -","- C292 H216 N4 O24 P4 -","4","1","","Isaac, Kévin; Stemper, Jérémy; Servajean, Vincent; Retailleau, Pascal; Pastor, Julien; Frison, Gilles; Kaupmees, Karl; Leito, Ivo; Betzer, Jean-François; Marinetti, Angela","Planar chiral phosphoric acids with biphenylene-tethered paracyclophane scaffolds: synthesis, characterization, and catalytic screening.","The Journal of organic chemistry","2014","79","20","9639","9646","10.1021/jo501769t","","","1.54187","CuKα","","0.1144","0.078","","","0.1923","0.2406","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030007","11.2788","0.0011","12.8154","0.0013","14.632","0.0014","90","","90","","90","","2114.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C72 H92 Cl12 N4 O24 P4 -","4","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.04","0.0387","","","0.0876","0.0883","","","","","","1.093","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030008","6.2184","0.0015","16.744","0.004","10.777","0.003","90","","91.444","0.004","90","","1121.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C36 H46 Cl6 N2 O12 P2 -","2","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.0658","0.0603","","","0.1316","0.1344","","","","","","1.173","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030009","10.1013","0.0002","7.05282","0.00015","10.41517","0.00019","90","","92.2668","0.0013","90","","741.42","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C40 H34 N6 -","2","1","","Takeda, Takashi; Sugihara, Hiroyuki; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic behavior, electrochromism, and two-photon absorption of dicyanomethylenated quinacridone.","The Journal of organic chemistry","2014","79","20","9669","9677","10.1021/jo501800g","","","1.54187","CuKα","","","0.0466","","","","0.1197","","","","","","1.054","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030010","8.90134","0.00016","13.2462","0.0003","17.7316","0.0004","84.1372","0.0007","81.9146","0.0007","68.2867","0.0007","1920.21","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H52 N6 -","- C46 H52 N6 -","- C92 H104 N12 -","2","1","","Takeda, Takashi; Sugihara, Hiroyuki; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic behavior, electrochromism, and two-photon absorption of dicyanomethylenated quinacridone.","The Journal of organic chemistry","2014","79","20","9669","9677","10.1021/jo501800g","","","1.54187","CuKα","","","0.0831","","","","0.2827","","","","","","1.113","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030011","10.5913","0.0007","14.7571","0.001","8.3539","0.0005","90","","99.044","0.003","90","","1289.46","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N O S2 -","- C15 H9 N O S2 -","- C60 H36 N4 O4 S8 -","4","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0692","0.0414","","","0.0976","0.1106","","","","","","1.022","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030012","8.601","0.002","9.794","0.002","13.733","0.003","90","","104.807","0.009","90","","1118.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O S2 -","- C12 H9 N O S2 -","- C48 H36 N4 O4 S8 -","4","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0659","0.0567","","","0.1716","0.1832","","","","","","1.063","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030013","7.6639","0.0012","8.4973","0.0014","11.1966","0.0016","94.77","0.011","102.372","0.009","109.924","0.01","659.83","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C30 H26 N2 O6 S2 -","2","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0581","0.0397","","","0.0923","0.1013","","","","","","1.026","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030014","13.108","0.003","24.71","0.005","13.243","0.003","90","","95.99","0.03","90","","4266","1.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57.49 H43.69 Cl1.04 -","- C57.496 H43.704 Cl1.02 -","- C229.984 H174.816 Cl4.08 -","4","1","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0634","0.0623","","","0.1756","0.1769","","","","","","1.1","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030015","12.289","0.003","15.382","0.003","6.0239","0.0012","90","","99.35","0.03","90","","1123.6","0.4","90","0.2","90","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","[6]cyclo-m-phenylene","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","0.5","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54178","CuKα","","0.041","0.0362","","","0.0942","0.0977","","","","","","1.015","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030016","17.55","0.008","17.55","0.008","5.619","0.003","90","","90","","90","","1730.7","1.4","93","","93","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C48.5 H39 O3 -","- C48.5 H39.5 O3 -","- C97 H79 O6 -","2","0.25","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","","0.051","","","","0.1309","","","","","","1.099","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030017","16.2882","0.0018","5.4529","0.0007","22.623","0.003","90","","107.144","0.003","90","","1920","0.4","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0382","0.0368","","","0.102","0.1042","","","","","","1.026","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030018","16.7629","0.0011","13.5865","0.0008","26.032","0.003","90","","99.125","0.003","90","","5853.7","0.9","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H29.5 N0.5 -","- C43 H29.5 N0.5 -","- C344 H236 N4 -","8","2","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0449","0.043","","","0.1126","0.1155","","","","","","1.059","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030019","14.4871","0.0017","10.6354","0.0012","11.1892","0.0013","90","","96.788","0.002","90","","1711.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0991","0.044","","","0.1004","0.1613","","","","","","0.867","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030020","10.5459","0.0007","11.3676","0.0006","30.188","0.0018","90","","90","0.004","90","","3619","0.4","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C23 H16 Cl N O -","- C23 H16 Cl N O -","- C184 H128 Cl8 N8 O8 -","8","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.1173","0.0673","","","0.1523","0.1906","","","","","","1.079","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030021","14.2581","0.001","11.0348","0.0008","11.2185","0.0008","90","","96.72","0.003","90","","1752.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br N O -","- C23 H16 Br N O -","- C92 H64 Br4 N4 O4 -","4","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0339","0.0287","","","0.0751","0.0821","","","","","","1.066","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030022","6.6749","0.0003","9.4393","0.0005","15.0974","0.0008","79.626","0.002","85.796","0.003","77.639","0.003","913.39","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 I N O -","- C23 H16 I N O -","- C46 H32 I2 N2 O2 -","2","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0603","0.0429","","","0.1324","0.1444","","","","","","1.11","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030023","8.923","0.0011","11.9585","0.0015","13.4158","0.0013","95.421","0.011","101.505","0.008","102.728","0.009","1353.9","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16.5 H10 Cl N O3 -","- C16.5 H10 Cl N O3 -","- C66 H40 Cl4 N4 O12 -","4","2","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.2823","0.0903","","","0.1425","0.199","","","","1.73","1.73","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030024","28.113","0.0005","7.5217","0.0007","7.293","0.002","90","","90","","90","","1542.2","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H13 N3 O S -","- C19 H13 N3 O S -","- C76 H52 N12 O4 S4 -","4","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1132","0.0635","","","0.0945","0.1032","","","","2.05","2.05","1.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030025","3.805","0.0005","19.887","0.002","13.8334","0.0016","90","","93.536","0.014","90","","1044.8","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 N2 O -","- C15 H6 N2 O -","- C60 H24 N8 O4 -","4","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1723","0.1026","","","0.2333","0.2512","","","","3.01","3.01","2.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030026","12.8326","0.0002","5.3196","0.0004","7.7207","0.0006","90","","90.073","0.004","90","","527.05","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H7 N O3 -","- C15 H7 N O3 -","- C30 H14 N2 O6 -","2","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1015","0.0627","","","0.1216","0.1421","","","","1.55","1.55","1.55","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030027","9.7466","0.0007","9.9284","0.0007","18.783","0.0013","90","","90","","90","","1817.6","0.2","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71073","MoKα","","0.0348","0.0289","","","0.0586","0.0601","","","","","","0.988","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030028","6.283","0.011","7.551","0.013","8.088","0.013","93.44","0.018","106.67","0.016","109.007","0.016","342.5","1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","1","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71075","MoKα","","","0.0283","","","","0.0647","","","","","","0.814","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030029","5.87321","0.0001","16.3775","0.0003","19.4994","0.0003","90","","96.9849","0.0016","90","","1861.7","0.06","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N4 O3 -","- C23 H18 N4 O3 -","- C92 H72 N16 O12 -","4","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0468","0.0409","","","0.1077","0.1141","","","","","","1.027","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030030","7.8812","0.0003","9.817","0.0003","11.9498","0.0004","95.127","0.003","105.452","0.003","99.544","0.003","870.08","0.05","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0436","0.0419","","","0.1172","0.1191","","","","","","0.992","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030031","8.2888","0.0004","10.3643","0.0005","10.9122","0.0006","91.612","0.004","100.785","0.004","102.962","0.004","895.01","0.08","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0493","0.0422","","","0.1116","0.1193","","","","","","0.992","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030032","11.588","0.0015","11.373","0.0016","16.839","0.003","90","","110.105","0.006","90","","2084","0.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20.38 B Cl2.63 F2 N2 O4 -","- C19 H20.3748 B Cl2.6252 F2 N2 O4 -","- C76 H81.4992 B4 Cl10.5008 F8 N8 O16 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0505","0.0374","","","0.0903","0.0974","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030033","5.5404","0.0002","15.8951","0.0006","21.7416","0.0009","90","","94.046","0.002","90","","1909.91","0.13","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H21.84 B Cl1.16 F2 N2 O4 -","- C19 H21.838 B Cl1.162 F2 N2 O4 -","- C76 H87.352 B4 Cl4.648 F8 N8 O16 -","4","0.5","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0624","0.0517","","","0.14","0.149","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030034","10.812","0.0008","6.0826","0.0005","43.264","0.003","90","","91.017","0.004","90","","2844.8","0.4","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 B F2 N2 O4 S3 -","- C31 H29 B F2 N2 O4 S3 -","- C124 H116 B4 F8 N8 O16 S12 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.1054","0.1003","","","0.2233","0.2242","","","","","","2.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030035","10.7198","0.0002","12.8475","0.0003","14.5759","0.0004","88.5036","0.0011","76.5121","0.001","74.3733","0.0011","1878.47","0.08","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C34 H47 B F2 N2 O4 Si3 -","- C34 H47 B F2 N2 O4 Si3 -","- C68 H94 B2 F4 N4 O8 Si6 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0657","0.0467","","","0.1203","0.1312","","","","","","1.017","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030036","11.9869","0.0009","9.9485","0.0007","20.9771","0.0015","90","","104.362","0.005","90","","2423.4","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C23 H23 B Cl2 F2 N2 O4 S -","- C23 H23 B Cl2 F2 N2 O4 S -","- C92 H92 B4 Cl8 F8 N8 O16 S4 -","4","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.074","0.064","","","0.1704","0.1804","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030037","10.4141","0.0003","21.2135","0.0005","22.6166","0.0006","90","","97.897","0.001","90","","4949.1","0.2","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 B Cl2 F2 N2 O4 -","- C25 H25 B Cl2 F2 N2 O4 -","- C200 H200 B8 Cl16 F16 N16 O32 -","8","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0612","0.0381","","","0.0863","0.0962","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030038","12.2118","0.0006","11.8622","0.0005","19.9913","0.001","90","","106.216","0.002","90","","2780.7","0.2","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B Cl2 F2 N2 O4 Si -","- C24 H29 B Cl2 F2 N2 O4 Si -","- C96 H116 B4 Cl8 F8 N8 O16 Si4 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0607","0.0433","","","0.1059","0.117","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030039","10.3477","0.0003","11.8529","0.0004","15.2611","0.0004","89.11","0.003","71.03","0.003","81.804","0.002","1751.09","0.1","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C33 H41 B F2 N2 O4 S Si2 -","- C33 H41 B F2 N2 O4 S Si2 -","- C66 H82 B2 F4 N4 O8 S2 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0716","0.0476","","","0.1105","0.1225","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030040","10.81","0.0008","6.092","0.0004","44.021","0.003","90","","90.172","0.004","90","","2899","0.3","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 B F2 N2 O4 S2 -","- C33 H31 B F2 N2 O4 S2 -","- C132 H124 B4 F8 N8 O16 S8 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.0536","0.0479","","","0.1209","0.1284","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030041","10.824","0.002","12.553","0.003","14.516","0.002","106.924","0.013","109.773","0.012","94.332","0.012","1742.2","0.6","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 B F2 N2 O4 Si2 -","- C35 H43 B F2 N2 O4 Si2 -","- C70 H86 B2 F4 N4 O8 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.1181","0.0545","","","0.1048","0.126","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030042","23.8106","0.0019","11.7399","0.0009","11.2597","0.0009","90","","101.193","0.004","90","","3087.6","0.4","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 B F2 N2 O4 S2 Si -","- C32 H35 B F2 N2 O4 S2 Si -","- C128 H140 B4 F8 N8 O16 S8 Si4 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0486","0.0345","","","0.0783","0.0849","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030043","12.1354","0.0005","13.2882","0.0006","21.2741","0.001","76.767","0.003","88.504","0.002","78.66","0.003","3273.7","0.3","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 B F2 N2 O4 Si -","- C36 H39 B F2 N2 O4 Si -","- C144 H156 B4 F8 N8 O16 Si4 -","4","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0741","0.0481","","","0.1143","0.1279","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030044","12.9614","0.0008","11.0262","0.0006","23.1458","0.0014","90","","104.62","0.003","90","","3200.8","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 B Cl F2 N2 O4 Si2 -","- C29 H38 B Cl F2 N2 O4 Si2 -","- C116 H152 B4 Cl4 F8 N8 O16 Si8 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.0616","0.0516","","","0.1379","0.1477","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030045","10.6213","0.0007","13.0001","0.0009","13.2633","0.0011","72.589","0.006","79.89","0.006","84.041","0.006","1717.8","0.2","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C33 H41 B F2 N2 O4 S Si2 -","- C33 H41 B F2 N2 O4 S Si2 -","- C66 H82 B2 F4 N4 O8 S2 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.2045","0.0758","","","0.1522","0.2031","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030046","16.5879","0.0018","9.039","0.001","16.4332","0.0017","90","","117.757","0.005","90","","2180.4","0.4","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","","Chen, Zhiyuan; Jia, Xuegong; Huang, Jiapian; Yuan, Jianjun","Platinum-Catalyzed Tandem Cycloisomerization Reaction of Benzoendiynyl Esters: Regioselective Long-Range 1,5-Acyl Migration.","The Journal of organic chemistry","2014","79","21","10674","","10.1021/jo5020245","","","0.71073","MoKα","","0.0488","0.0412","","","0.124","0.1369","","","","","","1.001","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030047","7.0302","0.0008","13.7455","0.0015","20.332","0.002","90","","99.113","0.005","90","","1940","0.4","165","","165","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","1.54178","CuKα","","0.0483","0.0451","","","0.1236","0.1269","","","","","","1.051","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030048","21.552","0.003","11.0789","0.0017","15.085","0.002","90","","90","","90","","3601.9","0.9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","x-ray","1.54178","CuKα","","0.0426","0.0412","","","0.113","0.1151","","","","","","1.074","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030049","9.5938","0.0004","36.4391","0.0015","15.7075","0.0007","90","","100.232","0.003","90","","5403.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 B S -","- C34 H33 B S -","- C272 H264 B8 S8 -","8","2","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","0.71073","MoKα","","0.1537","0.1137","","","0.226","0.2449","","","","","","1.122","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030050","22.992","0.003","5.808","0.0007","14.7738","0.0019","90","","92.558","0.01","90","","1970.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","0.71073","MoKα","","0.1428","0.081","","","0.1767","0.2066","","","","","","1.044","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030051","37.394","0.002","10.6766","0.0006","18.4173","0.001","90","","101.102","0.0017","90","","7215.3","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ClPhSi(ON[Ph]O)","2,4,8,10-Tetra-tert-butyl-6-chloro-6,12-diphenyl- 1H-dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C40 H50 Cl N O2 Si -","- C40 H50 Cl N O2 Si -","- C320 H400 Cl8 N8 O16 Si8 -","8","1","","Shekar, Sukesh; Brown, Seth N.","Mechanism and selectivity of methyl and phenyl migrations in hypervalent silylated iminoquinones.","The Journal of organic chemistry","2014","79","24","12047","12055","10.1021/jo501888r","","","0.71073","MoKα","","0.0414","0.0342","","","0.0938","0.1041","","","","","","1.051","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030052","7.3074","0.001","11.6936","0.0017","17.175","0.002","90","","99.165","0.005","90","","1448.9","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H46 N2 O Sn -","- C30 H46 N2 O Sn -","- C60 H92 N4 O2 Sn2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0774","0.0616","","","0.1457","0.1541","","","","","","1.088","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030053","8.665","0.003","8.399","0.002","10.277","0.003","90","","93.321","0.015","90","","746.7","0.4","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0465","0.0396","","","0.0921","0.0966","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030054","7.7111","0.0016","10.5325","0.0019","19.852","0.004","90","","90","","90","","1612.3","0.5","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0406","0.0369","","","0.0958","0.0996","","","","","","1.044","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030055","9.1608","0.0011","11.5859","0.0014","34.32","0.004","90","","90","","90","","3642.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 N2 O Si Sn -","- C34 H54.547 N2 O Si Sn -","- C136 H218.188 N8 O4 Si4 Sn4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0661","0.0565","","","0.13","0.1357","","","","","","1.09","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030056","9.6716","0.0003","10.1843","0.0003","10.2753","0.0004","76.912","0.002","74.616","0.002","66.048","0.002","883.67","0.05","296","2","293","2","","","","","","","","4","P -1","-P 1","2","6-methyl-4-phenyl-3-(phenylselanyl)-2H-chrome","","","- C22 H16 O2 Se -","- C22 H16 O2 Se -","- C44 H32 O4 Se2 -","2","1","","Mantovani, Anderson C.; Goulart, Tales A. C.; Back, Davi F.; Menezes, Paulo Henrique; Zeni, Gilson","Iron(III) Chloride and Diorganyl Diselenides-Mediated 6-endo-dig Cyclization of Arylpropiolates and Arylpropiolamides Leading to 3-Organoselenyl-2H-coumarins and 3-Organoselenyl-quinolinones.","The Journal of organic chemistry","2014","79","21","10526","","10.1021/jo502199q","","","0.71073","MoKα","","0.0425","0.0303","","","0.071","0.0761","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030057","9.3651","0.0005","9.5625","0.0005","11.0503","0.0006","71.447","0.002","67.341","0.003","65.481","0.002","815.96","0.08","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H18 -","- C25 H18 -","- C50 H36 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0689","0.0527","","","0.1391","0.1573","","","","","","1.049","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030058","9.3084","0.0004","9.4005","0.0004","10.9628","0.0005","73.841","0.003","65.703","0.003","68.117","0.003","802.42","0.07","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 S -","- C23 H16 S -","- C46 H32 S2 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0745","0.0509","","","0.1247","0.1396","","","","","","1.037","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030059","8.0397","0.0002","17.8239","0.0006","15.1921","0.0005","90","","104.068","0.0013","90","","2111.71","0.11","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.063","0.0477","","","0.125","0.1438","","","","","","1.092","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030060","10.4017","0.0006","9.8934","0.0005","20.6445","0.0012","90","","100.506","0.002","90","","2088.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21.3 F O2.15 -","- C27 H21.3 F O2.15 -","- C108 H85.2 F4 O8.6 -","4","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0683","0.049","","","0.1279","0.1486","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030061","7.7829","0.0004","11.0201","0.0006","13.5855","0.0008","66.136","0.003","76.156","0.003","73.462","0.003","1011.22","0.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C54 H44 O4 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0836","0.0586","","","0.1592","0.1867","","","","","","1.078","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030062","7.576","0.0005","18.9865","0.0012","25.0328","0.0016","90","","90","","90","","3600.8","0.4","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0805","0.0571","","","0.1412","0.1551","","","","","","1.036","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030063","9.296","0.0005","9.5612","0.0006","11.2173","0.0006","74.68","0.003","69.564","0.003","65.582","0.004","842.25","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H17 F -","- C25 H17 F -","- C50 H34 F2 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0677","0.0492","","","0.1293","0.148","","","","","","1.083","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030064","13.192","0.0005","15.3847","0.0006","19.337","0.0008","90","","101.634","0.0014","90","","3843.9","0.3","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 -","- C29 H20 -","- C232 H160 -","8","2","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.1316","0.0621","","","0.1575","0.2071","","","","","","1.041","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030065","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long","Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates.","The Journal of organic chemistry","2014","79","24","12010","12017","10.1021/jo5018712","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030066","9.4517","0.0012","23.239","0.003","9.965","0.0012","90","","116.056","0.003","90","","1966.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C88 H96 Br4 N4 O4 -","4","1","","Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long","Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates.","The Journal of organic chemistry","2014","79","24","12010","12017","10.1021/jo5018712","","","0.71073","MoKα","","0.0855","0.0591","","","0.148","0.1639","","","","","","1.043","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030067","11.469","0.002","17.517","0.004","9.5531","0.0019","90","","107.85","0.03","90","","1826.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C88 H68 Cl4 N8 -","4","1","","Zhang, Xinting; Kang, Jinfeng; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Oxidative C-N Bond Formation for Metal-Free One-Pot Synthesis of Di-, Tri-, and Tetrasubstituted Pyrazoles from α,β-Unsaturated Aldehydes/Ketones and Hydrazines.","The Journal of organic chemistry","2014","79","21","10170","","10.1021/jo501844x","","","0.71073","MoKα","","0.1155","0.0889","","","0.1876","0.2071","","","","","","1.205","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030068","6.9756","0.0014","9.91","0.002","10.42","0.002","113.94","0.03","92.53","0.03","92.22","0.03","656.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C32 H22 N6 -","2","1","","Zhang, Xinting; Kang, Jinfeng; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Oxidative C-N Bond Formation for Metal-Free One-Pot Synthesis of Di-, Tri-, and Tetrasubstituted Pyrazoles from α,β-Unsaturated Aldehydes/Ketones and Hydrazines.","The Journal of organic chemistry","2014","79","21","10170","","10.1021/jo501844x","","","0.71073","MoKα","","0.0745","0.0596","","","0.1584","0.1771","","","","","","1.105","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030069","8.2599","0.0017","15.387","0.003","9.958","0.002","90","","102.35","0.03","90","","1236.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 N O -","- C13 H14 F3 N O -","- C52 H56 F12 N4 O4 -","4","1","","Lin, Qing-Yu; Xu, Xiu-Hua; Qing, Feng-Ling","Chemo-, Regio-, and Stereoselective Trifluoromethylation of Styrenes via Visible Light-Driven Single-Electron Transfer (SET) and Triplet-Triplet Energy Transfer (TTET) Processes.","The Journal of organic chemistry","2014","79","21","10434","","10.1021/jo502040t","","","1.54178","CuKα","","0.057","0.055","","","0.1642","0.1671","","","","","","1.071","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030070","14.0334","0.0009","10.0587","0.0007","23.4532","0.0015","90","","90","","90","","3310.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C152 H152 N8 O16 S8 -","8","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0476","0.0365","","","0.0975","0.1043","","","","","","1.056","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030071","14.094","0.003","7.3935","0.0015","12.576","0.003","90","","90.653","0.004","90","","1310.4","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0987","0.0539","","","0.1076","0.1207","","","","","","1.155","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030072","5.262","0.006","16.416","0.019","13.074","0.015","90","","99.99","0.02","90","","1112","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N O S -","- C12 H13 N O S -","- C48 H52 N4 O4 S4 -","4","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0598","0.0537","","","0.1344","0.1403","","","","","","1.067","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030073","10.9164","0.0005","9.6918","0.0005","24.1102","0.0014","90","","90","","90","","2550.8","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C128 H96 N16 S8 -","8","2","","Omar, Mohamed A.; Frey, Wolfgang; Conrad, Jürgen; Beifuss, Uwe","Transition-Metal-Free Synthesis of Imidazo[2,1-b]thiazoles and Thiazolo[3,2-a]benzimidazoles via an S-Propargylation/5-exo-dig Cyclization/Isomerization Sequence Using Propargyl Tosylates as Substrates.","The Journal of organic chemistry","2014","79","21","10367","","10.1021/jo501980w","","","0.71073","MoKα","","0.052","0.0431","","","0.0939","0.097","","","","","","1.052","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030074","13.9906","0.0007","13.308","0.0006","20.9613","0.001","90","","97.6003","0.0007","90","","3868.4","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C90 H98 N2 Si2 -","- C90 H98 N2 Si2 -","- C180 H196 N4 Si4 -","2","1","","Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.","Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.","The Journal of organic chemistry","2014","79","21","10013","","10.1021/jo5016085","","","0.71073","MoKα","","0.0485","0.0362","","","0.0782","0.0841","","","","","","1.016","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030075","14.476","0.0004","15.868","0.0004","16.718","0.003","77.232","0.002","81.703","0.002","67.463","0.001","3451.7","0.6","173","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78.5 H71 Cl N2 O4 Si2 -","- C78.5 H71 Cl N2 O4 Si2 -","- C157 H142 Cl2 N4 O8 Si4 -","2","1","","Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.","Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.","The Journal of organic chemistry","2014","79","21","10013","","10.1021/jo5016085","","","0.71073","MoKα","","0.1178","0.0851","","","0.2266","0.2569","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030076","13.1252","0.0003","32.368","0.0008","41.4449","0.001","90","","95.42","0.001","90","","17528.6","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C205 H218 B12 Cl2 N12 -","- C205 H218 B12 Cl2 N12 -","- C820 H872 B48 Cl8 N48 -","4","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.154","0.092","","","0.2742","0.3106","","","","","","0.987","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030077","12.9576","0.0008","14.6324","0.0009","14.6459","0.0016","99.246","0.004","102.984","0.004","113.991","0.003","2371","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 N2 -","- C34 H28 N2 -","- C136 H112 N8 -","4","2","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.0731","0.0489","","","0.1201","0.1393","","","","","","1.028","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030078","7.5251","0.0001","12.265","0.0002","14.723","0.0003","81.826","0.001","83.455","0.001","83.827","0.001","1330.52","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H31 I N2 -","- C35 H31 I N2 -","- C70 H62 I2 N4 -","2","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.0375","0.0323","","","0.0804","0.0884","","","","","","1.085","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030079","8.271","0.0005","12.9503","0.0008","24.7661","0.0014","90","","99.143","0.004","90","","2619","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 B F4 N2 -","- C34 H29 B F4 N2 -","- C136 H116 B4 F16 N8 -","4","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.1042","0.057","","","0.1252","0.1649","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030080","6.6294","0.0001","9.4896","0.0001","16.8567","0.0002","93.802","0.001","98.632","0.001","100.149","0.001","1027.35","0.02","293","","293","","","","","","","","synthesized by the authors, see text","6","P -1","-P 1","2","","","","- C16 H30 N2 O3 S Si -","- C16 H30 N2 O3 S Si -","- C32 H60 N4 O6 S2 Si2 -","2","1","","Prévost, Michel; Dostie, Starr; Waltz, Marie-Ève; Guindon, Yvan","Investigation of Diastereoselective Acyclic α-Alkoxydithioacetal Substitutions Involving Thiacarbenium Intermediates.","The Journal of organic chemistry","2014","79","21","10504","","10.1021/jo502181a","","","1.54178","CuKα","","0.0682","0.0643","","0.2033","","0.1991","","","1.088","","","1.126","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030081","5.5811","0.0002","21.9839","0.0006","10.434","0.0003","90","","101.401","0.0014","90","","1254.93","0.07","200","2","200","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Prévost, Michel; Dostie, Starr; Waltz, Marie-Ève; Guindon, Yvan","Investigation of Diastereoselective Acyclic α-Alkoxydithioacetal Substitutions Involving Thiacarbenium Intermediates.","The Journal of organic chemistry","2014","79","21","10504","","10.1021/jo502181a","","","1.54178","CuKα","","0.0621","0.0363","","","0.0825","0.0905","","","","","","1.004","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030082","10.911","0.002","15.095","0.003","11.664","0.002","90","","113.3","0.03","90","","1764.4","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I N O2 S -","- C18 H20 I N O2 S -","- C72 H80 I4 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Li, Yue-Ming","Regioselective (Diacetoxyiodo)benzene-Promoted Halocyclization of Unfunctionalized Olefins.","The Journal of organic chemistry","2014","79","21","10094","","10.1021/jo501739j","","","0.71073","MoKα","","0.0421","0.0307","","","0.0738","0.0809","","","","","","0.973","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030083","9.0374","0.0005","9.8325","0.0007","11.6485","0.0006","65.718","0.006","83.584","0.004","73.059","0.005","902.53","0.11","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 N4 -","- C19 H26 N4 -","- C38 H52 N8 -","2","1","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.0723","0.0536","","","0.135","0.1508","","","","","","1.053","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030084","13.6356","0.0006","13.6874","0.0004","14.4188","0.0004","90.008","0.003","109.937","0.003","92.581","0.003","2526.87","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H71 Li3 N6 O3 -","- C54 H71 Li3 N6 O3 -","- C108 H142 Li6 N12 O6 -","2","1","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.0742","0.047","","","0.1026","0.1165","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030085","26.0414","0.0014","12.2934","0.0006","18.2926","0.0009","90","","128.911","0.005","90","","4556.8","0.5","100.02","0.15","100.02","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 Li2 N8 O2 -","- C46 H66 Li2 N8 O2 -","- C184 H264 Li8 N32 O8 -","4","0.5","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.064","0.0449","","","0.1024","0.1132","","","","","","1.033","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030086","9.57","0.002","14.501","0.003","16.059","0.003","115.824","0.008","92.346","0.01","93.969","0.01","1994.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-(2'-p-bromophenyl-2'-hydroxyiminoethyl)-5,5'-diethyldipyrromethane","","- C42 H43 Br2 N6 O2 -","- C42 H43 Br2 N6 O2 -","- C84 H86 Br4 N12 O4 -","2","1","","Nunes, Sandra C. C.; Lopes, Susana M. M.; Gomes, Clara S. B.; Lemos, Américo; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Reactions of Nitrosoalkenes with Dipyrromethanes and Pyrroles: Insight into the Mechanistic Pathway.","The Journal of organic chemistry","2014","79","21","10456","","10.1021/jo502095k","","x-ray","0.71073","MoKα","","0.1498","0.0562","","","0.0995","0.1297","","","","","","0.946","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030087","7.5819","0.0012","11.1103","0.0017","16.53","0.003","90","","95.621","0.01","90","","1385.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-bromophenyl)-3a,5-dimethyl- -3,3a,6,6a-tetrahydropyrrolo[3,2-b]pyrrole 1-oxide","","- C14 H17 Br N2 O2 -","- C14 H17 Br N2 O2 -","- C56 H68 Br4 N8 O8 -","4","1","","Nunes, Sandra C. C.; Lopes, Susana M. M.; Gomes, Clara S. B.; Lemos, Américo; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Reactions of Nitrosoalkenes with Dipyrromethanes and Pyrroles: Insight into the Mechanistic Pathway.","The Journal of organic chemistry","2014","79","21","10456","","10.1021/jo502095k","","x-ray","0.71073","MoKα","","0.1417","0.0608","","","0.0813","0.0915","","","","","","1.005","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030088","9.09","0.002","10.774","0.003","21.624","0.005","90","","90","","90","","2117.8","0.9","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C92 H108 N12 O8 -","4","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.029","0.0274","","","0.0692","0.0705","","","","","","1.073","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030089","9.8003","0.0005","17.4561","0.0009","10.0164","0.0005","90","","96.368","0.002","90","","1702.98","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N3 O2 -","- C16 H27 N3 O2 -","- C64 H108 N12 O8 -","4","2","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0279","0.0276","","","0.0688","0.069","","","","","","1.03","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030090","6.3049","0.0004","7.6994","0.0005","14.4602","0.0008","102.437","0.003","91.851","0.003","90.341","0.003","685.07","0.07","147","2","147","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","1","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0303","0.0301","","","0.0775","0.0776","","","","","","1.072","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030091","9.0471","0.0013","11.2646","0.0016","14.82","0.002","94.978","0.01","104.479","0.009","90.047","0.01","1456.5","0.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C72 H66 N6 O4 -","2","1","","Zhou, Lu-Jia; Zhang, Yu-Chen; Zhao, Jia-Jia; Shi, Feng; Tu, Shu-Jiang","Organocatalytic Arylation of 3-Indolylmethanols via Chemo- and Regiospecific C6-Functionalization of Indoles.","The Journal of organic chemistry","2014","79","21","10390","","10.1021/jo501989x","","","0.71073","MoKα","","0.1474","0.0826","","","0.2441","0.2873","","","","","","1.0897","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030092","6.232","0.003","10.854","0.005","12.929","0.008","65.452","0.016","88.269","0.01","89.109","0.012","795.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 F N4 -","- C20 H17 F N4 -","- C40 H34 F2 N8 -","2","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.2165","0.1003","","","0.2726","0.3539","","","","","","0.991","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030093","11.6449","0.0013","13.8787","0.0015","11.5724","0.0012","90","","96.172","0.006","90","","1859.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 -","- C20 H26 N4 -","- C80 H104 N16 -","4","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.0966","0.0497","","","0.1012","0.1184","","","","","","1.021","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030094","12.4646","0.0008","13.6468","0.0007","11.9725","0.0006","90","","93.606","0.004","90","","2032.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl N4 -","- C20 H25 Cl N4 -","- C80 H100 Cl4 N16 -","4","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.0541","0.0454","","","0.1236","0.1284","","","","","","1.068","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030095","5.8953","0.0003","23.8378","0.0009","10.0264","0.0004","90","","104.431","0.005","90","","1364.56","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(6R*,7R*)-4-methyl-7-phenyl-1-oxaspiro[5.5]undec-4-ene 30b","","- C17 H22 O -","- C17 H22 O -","- C68 H88 O4 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54184","CuKα","","0.073","0.0604","","","0.1558","0.1784","","","","","","1.111","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030096","7.8492","0.0003","16.3878","0.0006","10.0647","0.0004","90","","108.712","0.005","90","","1226.2","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methoxy-1,9-dimethyl-10-oxatricyclo[7.3.1.0]-trideca-2,4,6-triene","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54178","CuKα","","0.0882","0.0834","","","0.2106","0.2267","","","","","","1.051","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030097","8.5964","0.0017","17.998","0.004","8.9574","0.0018","90","","108.73","0.03","90","","1312.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-methyl-14-oxatetracyclo[11.3.1.0.0]heptadeca-2,4,6-triene","","- C17 H22 O -","- C17 H22 O -","- C68 H88 O4 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54184","CuKα","","0.0361","0.035","","","0.0968","0.0978","","","","","","1.048","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030098","12.0854","0.0005","11.5177","0.0005","24.1477","0.0011","90","","103.661","0.001","90","","3266.2","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H23 O2.5 Se -","- C16 H23 O2.5 Se -","- C128 H184 O20 Se8 -","8","4","","Orlov, Nikolay V.; Chistyakov, Igor V.; Khemchyan, Levon L.; Ananikov, Valentine P.; Beletskaya, Irina P.; Starikova, Zoya A.","Exclusive selectivity in the one-pot formation of C-C and C-se bonds involving ni-catalyzed alkyne hydroselenation: optimization of the synthetic procedure and a mechanistic study.","The Journal of organic chemistry","2014","79","24","12111","12121","10.1021/jo501953f","","","0.71073","MoKα","","0.0508","0.0363","","","0.0746","0.0799","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030099","14.9668","0.0005","10.1098","0.0004","22.2147","0.0009","90","","96.306","0.001","90","","3341","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","JJ-ad","","","- C33 H33 Br Cl N3 O -","- C33 H33 Br Cl N3 O -","- C132 H132 Br4 Cl4 N12 O4 -","4","2","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.11","0.062","","","0.182","0.2145","","","","","","0.995","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030100","15.4637","0.0009","7.0007","0.0004","17.5777","0.0009","90","","112.138","0.002","90","","1762.62","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dienamina HCl_LT","","","- C38 H39 Br Cl F3 N3 O4 -","- C38 H39 Br Cl F3 N3 O4 -","- C76 H78 Br2 Cl2 F6 N6 O8 -","2","1","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.1093","0.0933","","","0.2585","0.2695","","","","","","1.071","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030101","8.36","0.003","11.484","0.005","14.287","0.006","101.26","0.03","95.06","0.02","90.03","0.03","1339.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","DIPOLO HUMEDO","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","2","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.2391","0.1017","","","0.2109","0.2637","","","","","","1","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030102","24.8158","0.0008","8.449","0.0003","14.6172","0.0006","90","","90","","90","","3064.77","0.19","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","1","","Xu, Hongtao; Tang, Huanyu; Feng, Huijin; Li, Yuanchao","Divergent Total Synthesis of Triptolide, Triptonide, Tripdiolide, 16-Hydroxytriptolide, and Their Analogues.","The Journal of organic chemistry","2014","79","21","10110","","10.1021/jo501744j","","","0.71073","MoKα","","0.0545","0.0385","","","0.105","0.1122","","","","","","1.168","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030103","12.0634","0.0007","10.276","0.0006","12.846","0.0008","90","","114.159","0.002","90","","1452.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Xu, Hongtao; Tang, Huanyu; Feng, Huijin; Li, Yuanchao","Divergent Total Synthesis of Triptolide, Triptonide, Tripdiolide, 16-Hydroxytriptolide, and Their Analogues.","The Journal of organic chemistry","2014","79","21","10110","","10.1021/jo501744j","","","0.71073","MoKα","","0.0575","0.0454","","","0.1411","0.1499","","","","","","1.12","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030104","32.422","0.007","10.444","0.002","22.801","0.005","90","","123.04","0.03","90","","6472","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 Cl N2 O3 -","- C38 H27 Cl N2 O3 -","- C304 H216 Cl8 N16 O24 -","8","1","","Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie","Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation.","The Journal of organic chemistry","2014","79","21","10709","","10.1021/jo502106c","","","0.71073","MoKα","","0.1052","0.0776","","","0.1909","0.2083","","","","","","1.104","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030105","8.8451","0.0018","11.663","0.002","13.734","0.003","77.1","0.03","72.29","0.03","86.66","0.03","1315.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O4 -","- C33 H27 N O4 -","- C66 H54 N2 O8 -","2","1","","Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie","Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation.","The Journal of organic chemistry","2014","79","21","10709","","10.1021/jo502106c","","","0.71073","MoKα","","0.0858","0.0464","","","0.0987","0.1109","","","","","","1.022","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030106","8.7618","0.0011","28.36","0.004","8.9322","0.0011","90","","100.258","0.005","90","","2184","0.5","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O9 -","- C20 H32 O9 -","- C80 H128 O36 -","4","2","","Das, Soumendra Nath; Rana, Richa; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha; Mandal, Sukhendu B.","Ring-Closing Metathesis and Glycosylation Reactions: Synthesis and Biophysical Studies of Polyether-Linked Carbohydrate-Based Macrocyclic Nucleosides.","The Journal of organic chemistry","2014","79","21","9958","","10.1021/jo501857k","","","0.71073","MoKα","","0.0458","0.0392","","","0.0932","0.0978","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030107","6.9401","0.0003","11.7725","0.0006","14.9488","0.0006","90","","102.77","0.002","90","","1191.14","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S3 -","- C12 H6 N4 S3 -","- C48 H24 N16 S12 -","4","1","","Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas","Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.","The Journal of organic chemistry","2014","79","21","10179","","10.1021/jo501685t","","","0.71073","MoKα","","0.05","0.0374","","","0.095","0.1051","","","","","","1.063","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030108","8.274","0.002","11.141","0.003","12.659","0.004","90","","97.009","0.006","90","","1158.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S3 -","- C12 H6 N4 S3 -","- C48 H24 N16 S12 -","4","1","","Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas","Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.","The Journal of organic chemistry","2014","79","21","10179","","10.1021/jo501685t","","","0.71073","MoKα","","0.0895","0.0678","","","0.2003","0.2135","","","","","","1.099","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030109","10.1348","0.00019","17.309","0.0003","38.8028","0.0005","90","","90","","90","","6806.91","0.19","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H34 F N O9 S -","- C31 H34 F N O9 S -","- C248 H272 F8 N8 O72 S8 -","8","1","","Bai, Sha; Liao, Yuting; Lin, Lili; Luo, Weiwei; Liu, Xiaohua; Feng, Xiaoming","N,N'-Dioxide-Scandium(III)-Catalyzed Asymmetric Aza-Friedel-Crafts Reaction of Sesamol with Aldimines.","The Journal of organic chemistry","2014","79","21","10662","","10.1021/jo5020036","","x-ray","1.54184","CuKα","","0.0778","0.0714","","","0.1995","0.2123","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030110","18.321","0.01","7.322","0.004","14.433","0.008","90","","109.457","0.017","90","","1825.6","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Das, Uttam Kumar; Mandal, Subhajit; Anoop, Anakuthil; Bhattacharjee, Manish","Structure-Selectivity Relationship in Ruthenium-Catalyzed Regio- and Stereoselective Addition of Alkynes to Pyrazoles: An Experimental and Theoretical Investigation.","The Journal of organic chemistry","2014","79","21","9979","","10.1021/jo502151z","","","0.71073","MoKα","","0.2009","0.076","","","0.1563","0.2237","","","","","","1.043","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030111","10.4536","0.0003","11.9049","0.0003","22.4319","0.0006","90","","90","","90","","2791.63","0.13","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Cl N2 O5 -","- C32 H23 Cl N2 O5 -","- C128 H92 Cl4 N8 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","1.54184","CuKα","","0.0599","0.0476","","","0.1143","0.1233","","","","","","1.017","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030112","8.2432","0.0006","8.647","0.0006","28.4472","0.0016","90","","90","","90","","2027.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl O5 -","- C21 H18 Br Cl O5 -","- C84 H72 Br4 Cl4 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","0.71073","MoKα","","0.1117","0.0641","","","0.1455","0.163","","","","","","1.036","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030113","15.0974","0.0002","19.1605","0.0003","32.7141","0.0004","90","","90","","90","","9463.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N O5 -","- C38 H41 N O5 -","- C456 H492 N12 O60 -","12","3","","Szcześniak, Piotr; Stecko, Sebastian; Maziarz, Elżbieta; Staszewska-Krajewska, Olga; Furman, Bartłomiej","Synthesis of Polyhydroxylated Quinolizidine and Indolizidine Scaffolds from Sugar-Derived Lactams via a One-Pot Reduction/Mannich/Michael Sequence.","The Journal of organic chemistry","2014","79","21","10487","","10.1021/jo502146z","","","1.54184","CuKα","","0.0803","0.0763","","","0.2044","0.2119","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030114","5.1699","0.0001","7.3333","0.0002","11.1791","0.0002","90","","89.7378","0.0017","90","","423.822","0.016","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N O5 -","- C7 H15 N O5 -","- C14 H30 N2 O10 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0328","0.0327","","0.0832","0.0831","0.0832","","","","","","1.0184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030115","18.4924","0.0004","10.2023","0.0003","11.8598","0.0003","90","","100.565","0.002","90","","2199.6","0.1","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.029","0.0282","","0.0738","0.0732","0.0738","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030116","10.6486","0.0004","8.3141","0.0003","11.0574","0.0005","90","","105.074","0.0015","90","","945.26","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C38 H58 N2 O8 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","0.71073","MoKα","","0.0402","0.0325","","0.0746","0.0715","0.0746","","","","","","0.9781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030117","7.7876","0.0002","9.2123","0.0002","9.6509","0.0003","90","","107.017","0.003","90","","662.06","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0302","0.03","","0.0772","0.0771","0.0772","","","","","","1.0157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030118","8.9839","0.0003","9.0223","0.0005","9.7106","0.0003","90","","90","","90","","787.1","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","0.5","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0294","0.0289","","0.0774","0.0768","0.0774","","","","","","1.0192","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030119","25.9883","0.0007","25.9883","0.0007","5.81758","0.00017","90","","90","","120","","3402.74","0.16","150","","150","","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C135 H171 N9 O36 -","9","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.54184","CuKα","","0.0987","0.0899","","0.1243","0.1013","0.097","","","","","","1.1027","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030120","13.0557","0.0004","13.3816","0.0004","13.8875","0.0004","117.991","0.001","107.05","0.001","92.902","0.001","1996.69","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4-Dimethoxy-3-methyl-6,11,16,21-tetraphenyl- 24-thiabenziporphyrin","","- C52 H43 N2 O2 S -","- C49 H36 N2 O2 S -","- C98 H72 N4 O4 S2 -","2","1","","Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.","The Journal of organic chemistry","2014","79","22","11061","11074","10.1021/jo502063w","","","0.71073","MoKα","","0.0471","0.0418","","","","0.1207","","","","","","1.068","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030121","12.952","0.005","23.282","0.009","13.42","0.005","90","","108.926","0.008","90","","3828","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-Methoxy-6,11,16,21-tetraphenyl-24-thiaoxybenziporphyrinato]palladium(II)","","- C48 H31 Cl3 N2 O2 Pd S -","- C48 H31 Cl3 N2 O2 Pd S -","- C192 H124 Cl12 N8 O8 Pd4 S4 -","4","1","","Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.","The Journal of organic chemistry","2014","79","22","11061","11074","10.1021/jo502063w","","","0.71073","MoKα","","0.1765","0.0611","","","","0.1408","","","","","","0.968","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030122","10.5808","0.0005","10.1713","0.0004","19.4113","0.0008","90","","92.635","0.004","90","","2086.84","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br N O5 S -","- C21 H22 Br N O5 S -","- C84 H88 Br4 N4 O20 S4 -","4","1","","Wu, Lijun; Huang, Hui; Liang, Yun; Cheng, Pi","Regio- and stereoselective synthesis of 2-amino-dienes via decarboxylative amination of 4-(ethoxycarbonyl)-2,3-allenols by TsNCO.","The Journal of organic chemistry","2014","79","22","11264","11269","10.1021/jo502098b","","","0.71073","MoKα","","0.0594","0.0387","","","0.0775","0.0867","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030123","9.0976","0.0018","9.3489","0.0019","18.199","0.004","90","","90","","90","","1547.9","0.6","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.0369","0.0316","","","0.0803","0.084","","","","","","1.053","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030124","9.3395","0.0019","9.881","0.002","11.877","0.002","90","","101.85","0.03","90","","1072.7","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O5 -","- C22 H28 N2 O5 -","- C44 H56 N4 O10 -","2","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.1065","0.0754","","","0.1916","0.216","","","","","","1.025","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030125","11.0691","0.0016","11.0691","0.0016","54.673","0.011","90","","90","","90","","6698.8","1.9","297","","297","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","2","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","1.54178","CuKα","","0.1554","0.0828","","","0.1904","0.2797","","","","","","1.121","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030126","6.9323","0.0002","15.4032","0.0005","14.774","0.0005","90","","93.929","0.001","90","","1573.85","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Sarraf, Daad; Richy, Nicolas; Vidal, Joëlle","Synthesis of lactams by isomerization of oxindoles substituted at C-3 by an ω-amino chain.","The Journal of organic chemistry","2014","79","22","10945","10955","10.1021/jo501978j","","x-ray","0.71073","MoKα","","0.051","0.0415","","","0.1064","0.1139","","","","","","1.036","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030127","9.554","0.01","11.029","0.012","12.179","0.013","91.515","0.012","100.99","0.011","115.566","0.012","1128","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N2 O6 -","- C24 H21 Cl N2 O6 -","- C48 H42 Cl2 N4 O12 -","2","1","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0576","0.044","","","0.1211","0.1358","","","","","","1.129","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030128","12.287","0.009","14.357","0.011","14.46","0.011","70.247","0.009","68.697","0.008","71.843","0.008","2184","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl2 N O4 -","- C23 H21 Cl2 N O4 -","- C92 H84 Cl8 N4 O16 -","4","2","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0919","0.0701","","","0.1842","0.2048","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030129","9.411","0.004","11.214","0.005","15.479","0.007","90","","98.632","0.005","90","","1615.1","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N O4 -","- C17 H16 Cl N O4 -","- C68 H64 Cl4 N4 O16 -","4","1","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0462","0.0389","","","0.0975","0.1036","","","","","","1.044","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030130","7.986","0.005","19.283","0.013","10.936","0.009","90","","96.99","0.03","90","","1672","2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Zhang, Yan-Jing; Hou, Qi-Lan; Wang, Hai-Jing; Liao, Wei-Wei","Lewis base-promoted rearrangement of allylic cyanohydrins: construction of functionalized nitriles bearing 1,3-diketone moieties.","The Journal of organic chemistry","2014","79","22","10890","10898","10.1021/jo501909w","","","0.71073","MoKα","","0.0362","0.0333","","","0.0803","0.0816","","","","","","1.033","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030131","10.252","0.0008","10.6251","0.0009","13.0929","0.0011","90.313","0.001","111.307","0.002","107.904","0.002","1253.27","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 Cl N4 -","- C32 H27 Cl N4 -","- C64 H54 Cl2 N8 -","2","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.1371","0.0767","","","0.1634","0.1803","","","","","","1.082","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030132","8.0316","0.0008","9.266","0.0009","9.7678","0.0007","110.117","0.001","113.018","0.002","94.668","0.001","608.32","0.1","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","1","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.0764","0.0563","","","0.1329","0.1443","","","","","","1.013","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030133","10.1833","0.0008","11.2946","0.0009","12.4239","0.0011","102.068","0.002","91.225","0.001","91.272","0.001","1396.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N6 O2 -","- C34 H28 N6 O2 -","- C68 H56 N12 O4 -","2","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.1819","0.0637","","","0.0936","0.1105","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030134","10.211","0.002","24.258","0.003","12.287","0.002","90","","115.848","0.003","90","","2739","0.8","143","1","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Br -","- C35 H39 Br -","- C140 H156 Br4 -","4","1","","Mallory, Frank B.; Regan, Colleen K.; Bohen, Joseph M.; Mallory, Clelia W.; Bohen, Alyssa A.; Carroll, Patrick J.","Discovery of Deep-Seated Skeletal Rearrangements in the Photocyclizations of Some tert-Butyl-Substituted 1,2-Diarylethylenes.","The Journal of organic chemistry","2014","80","1","8","","10.1021/jo501965y","","","0.71069","MoKα","","0.055","0.0389","","0.0923","0.0868","","","","1.043","1.088","1.088","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4030135","13.7987","0.0016","11.0811","0.0013","10.9368","0.0012","90","","98.595","0.005","90","","1653.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.0435","0.0407","","","0.107","0.11","","","","","","1.038","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030136","7.4392","0.0002","21.5625","0.0006","10.4467","0.0003","90","","101.744","0.001","90","","1640.65","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.0412","0.0403","","","0.1096","0.1106","","","","","","1.005","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030137","8.0631","0.0002","6.911","0.0002","12.3303","0.0003","90","","92.691","0.001","90","","686.34","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N O2 -","- C17 H18 N O2 -","- C34 H36 N2 O4 -","2","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.044","0.0424","","","0.1187","0.1212","","","","","","1.05","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030138","11.6609","0.0012","12.215","0.0013","12.4769","0.0013","94.292","0.004","111.107","0.003","104.547","0.004","1577.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H86 N28 O26 -","- C50 H70 N28 O26 -","- C50 H70 N28 O26 -","1","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0917","0.0679","","","0.2144","0.2481","","","","","","1.039","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030139","12.297","0.0016","12.3805","0.0009","12.5907","0.0009","118.978","0.003","95.084","0.004","104.624","0.004","1571.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H82 N28 O28 -","- C46 H54 N28 O28 -","- C46 H54 N28 O28 -","1","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.1023","0.0828","","","0.2471","0.2764","","","","","","1.032","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030140","21.163","0.004","14.201","0.002","20.285","0.003","90","","107.442","0.005","90","","5816.1","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H74 N28 O26 -","- C44 H58 N28 O26 -","- C176 H232 N112 O104 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.1152","0.0899","","","0.2742","0.314","","","","","","1.034","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030141","12.3509","0.0018","12.4048","0.0019","21.735","0.003","104.345","0.005","97.559","0.005","93.494","0.005","3183","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H86 N28 O28 -","- C48 H66 N28 O28 -","- C96 H132 N56 O56 -","2","1","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0972","0.062","","","0.1802","0.2163","","","","","","1.022","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030142","22.652","0.006","11.965","0.003","23.937","0.007","90","","90","","90","","6488","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H78 N28 O30 -","- C42 H54 N26 O24 -","- C168 H216 N104 O96 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0831","0.0582","","","0.1795","0.1968","","","","","","1.018","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030143","15.775","0.005","22.923","0.005","12.27","0.005","99.919","0.005","111.026","0.005","81.18","0.005","4059","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H120 O16 -","- C84 H120 O16 -","- C168 H240 O32 -","2","1","","Ghirga, Francesca; Quaglio, Deborah; Iovine, Valentina; Botta, Bruno; Pierini, Marco; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; D'Acquarica, Ilaria","Synthesis of a double-spanned resorc[4]arene via ring-closing metathesis and calculation of aggregation propensity.","The Journal of organic chemistry","2014","79","22","11051","11060","10.1021/jo502056v","","","1.54178","CuKα","","0.1983","0.0685","","","0.1854","0.1927","","","","","","0.799","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030145","10.8941","0.0013","19.949","0.002","11.7899","0.0014","90","","94.385","0.002","90","","2554.8","0.5","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","compound 6","","","- C31 H20 F3 N3 O -","- C31 H20 F3 N3 O -","- C124 H80 F12 N12 O4 -","4","2","","Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea","Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.","The Journal of organic chemistry","2014","79","22","11039","11050","10.1021/jo502047n","","","0.71073","MoKα","","0.0741","0.0471","","","0.0884","0.0996","","","","","","1.065","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030146","8.659","0.003","10.157","0.004","14.308","0.005","97.338","0.004","94.911","0.004","107.3","0.004","1181.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","compound 3","","","- C29 H22 F3 N3 O -","- C29 H22 F3 N3 O -","- C58 H44 F6 N6 O2 -","2","1","","Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea","Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.","The Journal of organic chemistry","2014","79","22","11039","11050","10.1021/jo502047n","","","0.71073","MoKα","","0.1012","0.0513","","","0.1233","0.1527","","","","","","0.982","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030147","8.467","0.001","14.563","0.001","20.469","0.004","90","","91.636","0.001","90","","2522.9","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl F N O2 P -","- C30 H24 Cl F N O2 P -","- C120 H96 Cl4 F4 N4 O8 P4 -","4","2","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1609","0.0617","","","0.0923","0.1151","","","","","","1.002","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030148","11.54","0.002","14.08","0.007","16.285","0.003","90","","90","","90","","2646","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 N O2 P -","- C30 H24 Cl2 N O2 P -","- C120 H96 Cl8 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1162","0.0642","","","0.1489","0.1778","","","","","","1.016","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030149","11.5133","0.0006","14.2627","0.0016","16.305","0.003","90","","90","","90","","2677.5","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br Cl N O2 P -","- C30 H24 Br Cl N O2 P -","- C120 H96 Br4 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1727","0.0677","","","0.1072","0.1425","","","","","","1.01","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030150","12.5547","0.0017","9.004","0.003","22.0651","0.0014","90","","90","","90","","2494.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl N O2 P -","- C30 H25 Cl N O2 P -","- C120 H100 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1249","0.0543","","","0.115","0.1497","","","","","","1.057","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030151","8.2377","0.0002","12.7351","0.0004","38.5075","0.001","90","","90","","90","","4039.74","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0849","0.0455","","","0.113","0.1238","","","","","","0.913","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030152","12.6491","0.0002","7.4042","0.0001","16.8171","0.0003","90","","101.056","0.001","90","","1545.8","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C35 H40 O7 -","- C35 H40 O7 -","- C70 H80 O14 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0271","0.0263","","","0.0665","0.0673","","","","","","1.069","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030155","5.8502","0.0007","11.47","0.0014","26.509","0.003","90","","90","","90","","1778.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C84 H72 Br4 N4 O4 -","4","1","","Ren, Yuan-Yuan; Wang, You-Qing; Liu, Shuang","Asymmetric alkynylation of seven-membered cyclic imines by combining chiral phosphoric acids and Ag(I) catalysts: synthesis of 11-substituted-10,11-dihydrodibenzo[b,f][1,4]oxazepine derivatives.","The Journal of organic chemistry","2014","79","23","11759","11767","10.1021/jo5022037","","","0.71073","MoKα","","0.0639","0.0397","","","0.0828","0.0908","","","","","","0.993","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030156","7.966","0.01","17.26","0.03","12.842","0.02","90","","94.67","0.03","90","","1760","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0956","0.0516","","","0.118","0.1326","","","","","","1.158","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030157","7.942","0.008","17.973","0.016","10.869","0.01","90","","106.5","0.03","90","","1488","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0509","0.039","","","0.0985","0.105","","","","","","1.039","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030158","16.2047","0.0018","9.6713","0.0015","11.584","0.0013","90","","108.758","0.009","90","","1719","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H16 N O5 -","- C76 H64 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.1405","0.0812","","","0.1643","0.1885","","","","","","1.566","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030159","23.22","0.007","6.4634","0.0018","14.462","0.004","90","","94.873","0.009","90","","2162.6","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0715","0.0634","","","0.1398","0.1429","","","","","","1.722","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030160","9.9202","0.0005","11.6625","0.0006","15.0194","0.0008","111.87","0.003","97.172","0.003","103.982","0.003","1519.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20.65 N O5.32 -","- C15 H15 N O5.332 -","- C60 H60 N4 O21.328 -","4","2","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0869","0.0666","","","0.1942","0.2084","","","","","","1.157","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030161","17.2369","0.0013","7.8216","0.0007","14.1194","0.0012","90","","104.169","0.004","90","","1845.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C64 H88 Cl8 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0631","0.0495","","","0.1337","0.1405","","","","","","1.082","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030162","8.7313","0.0004","10.5992","0.0005","10.6362","0.0005","60.424","0.002","74.354","0.003","71.334","0.003","803.55","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N3 O5 -","- C15 H21 N3 O5 -","- C30 H42 N6 O10 -","2","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0533","0.0464","","","0.1194","0.1253","","","","","","1.036","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030163","14.035","0.003","9.2967","0.0016","12.787","0.002","90","","93.461","0.011","90","","1665.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0543","0.0413","","","0.0827","0.0846","","","","","","1.994","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030164","13.287","0.008","10.538","0.007","14.009","0.01","90","","101.32","0.017","90","","1923","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0524","0.0398","","","0.0867","0.0897","","","","","","1.646","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030165","7.5487","0.0013","13.271","0.003","16.861","0.005","90","","90","","90","","1689.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0701","0.049","","","0.104","0.113","","","","","","0.998","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030166","19.694","0.01","13.615","0.006","5.587","0.003","90","","90","","90","","1498.1","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C60 H84 N12 O16 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.1153","0.0845","","","0.1866","0.1958","","","","","","1.6","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030167","7.425","0.002","29.523","0.007","8.348","0.002","90","","107.871","0.004","90","","1741.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Xu, Changming; Zhang, Long; Luo, Sanzhong","Asymmetric enamine catalysis with β-ketoesters by chiral primary amine: divergent stereocontrol modes.","The Journal of organic chemistry","2014","79","23","11517","11526","10.1021/jo502152w","","","0.71073","MoKα","","0.0422","0.0392","","","0.0802","0.0831","","","","","","1.075","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030168","11.2411","0.0007","7.7513","0.0005","19.5834","0.0012","90","","103.11","0.0017","90","","1661.89","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-chlorophenyl)-3-(3-nitrophenyl)-1<i>H</i>-pyrrole-2- carboxylate","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","","Imbri, Dennis; Netz, Natalie; Kucukdisli, Murat; Kammer, Lisa Marie; Jung, Philipp; Kretzschmann, Annika; Opatz, Till","One-pot synthesis of pyrrole-2-carboxylates and -carboxamides via an electrocyclization/oxidation sequence.","The Journal of organic chemistry","2014","79","23","11750","11758","10.1021/jo5021823","","","0.71073","MoKα","","0.0431","0.0337","","","0.0844","0.0906","","","","","","1.021","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030169","11.7244","0.0009","13.1147","0.001","13.1273","0.0011","80.454","0.007","84.455","0.006","76.543","0.006","1932.3","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-<i>N</i>-(2-methylpropyl)- 1<i>H</i>-pyrrole-2-carboxamide","","- C22 H23 F N2 O2 -","- C22 H23 F N2 O2 -","- C88 H92 F4 N8 O8 -","4","2","","Imbri, Dennis; Netz, Natalie; Kucukdisli, Murat; Kammer, Lisa Marie; Jung, Philipp; Kretzschmann, Annika; Opatz, Till","One-pot synthesis of pyrrole-2-carboxylates and -carboxamides via an electrocyclization/oxidation sequence.","The Journal of organic chemistry","2014","79","23","11750","11758","10.1021/jo5021823","","","0.71073","MoKα","","0.084","0.0492","","","0.1236","0.1394","","","","","","1.027","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030170","32.745","0.007","6.2347","0.0012","17.488","0.004","90","","96.92","0.03","90","","3544.3","1.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C176 H128 Cl8 N8 O16 -","8","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.0547","0.0479","","","0.1391","0.1475","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030171","9.953","0.002","12.581","0.003","15.107","0.003","90.32","0.03","97.35","0.03","99.51","0.03","1849.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","2","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.1286","0.0587","","","0.1308","0.1589","","","","","","1.014","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030172","8.4145","0.0017","8.9482","0.0018","17.838","0.004","90","","102.12","0.03","90","","1313.2","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.0635","0.0494","","","0.127","0.1388","","","","","","1.01","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030173","11.395","0.002","8.4405","0.0017","16.714","0.003","90","","91.37","0.03","90","","1607.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.069","0.0511","","","0.1316","0.1426","","","","","","1.082","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030174","11.536","0.002","13.186","0.002","18.136","0.003","96.984","0.005","100.355","0.005","99.64","0.005","2642.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl2 Cu N15 O16 -","- C46 H50 Cl2 Cu N15 O16 -","- C92 H100 Cl4 Cu2 N30 O32 -","2","1","","Saha, Subrata; Santra, Saikat; Akhuli, Bidyut; Ghosh, Pradyut","[2]Rotaxane with multiple functional groups.","The Journal of organic chemistry","2014","79","22","11170","11178","10.1021/jo502235z","","","0.71073","MoKα","","0.0664","0.0563","","","0.1594","0.1693","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030175","23.049","0.005","7.2946","0.0015","20.98","0.004","90","","99.77","0.03","90","","3476.3","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 F3 N2 O S -","- C19 H15 F3 N2 O S -","- C152 H120 F24 N16 O8 S8 -","8","1","","Wang, Yang; Zhao, Fei; Chi, Yue; Zhang, Wen-Xiong; Xi, Zhenfeng","Substituent-controlled selective synthesis of N-acyl 2-aminothiazoles by intramolecular Zwitterion-mediated C-N bond cleavage.","The Journal of organic chemistry","2014","79","22","11146","11154","10.1021/jo502123k","","","0.71073","MoKα","","0.0957","0.0439","","","0.0583","0.0613","","","","","","0.928","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030200","24.266","0.017","5.72","0.004","13.017","0.01","90","","120.428","0.01","90","","1558","2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.1849","0.0749","","","0.1801","0.2653","","","","","","1.007","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030201","3.8405","0.0002","16.0573","0.0009","25.5787","0.0012","90","","90","","90","","1577.39","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.0473","0.0407","","","0.1086","0.1118","","","","","","1.005","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030202","19.728","0.005","12.427","0.006","17.19","0.005","90","","124.311","0.018","90","","3481","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl N4 -","- C21 H13 Cl N4 -","- C168 H104 Cl8 N32 -","8","1","","Zhang, Lei; Zheng, Liyao; Guo, Biao; Hua, Ruimao","One-pot synthesis of multisubstituted 2-aminoquinolines from annulation of 1-aryl tetrazoles with internal alkynes via double C-H activation and denitrogenation.","The Journal of organic chemistry","2014","79","23","11541","11548","10.1021/jo502192b","","","0.71073","MoKα","","0.0779","0.0463","","","0.082","0.0956","","","","","","1.07","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030203","9.362","0.003","9.812","0.003","14.178","0.005","90","","97.93","0.04","90","","1289.9","0.7","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Zhang, Lei; Zheng, Liyao; Guo, Biao; Hua, Ruimao","One-pot synthesis of multisubstituted 2-aminoquinolines from annulation of 1-aryl tetrazoles with internal alkynes via double C-H activation and denitrogenation.","The Journal of organic chemistry","2014","79","23","11541","11548","10.1021/jo502192b","","","0.71073","MoKα","","0.071","0.043","","","0.0866","0.0974","","","","","","1.048","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030204","9.5249","0.001","10.3261","0.0011","16.1226","0.0017","77.226","0.002","82.154","0.002","69.713","0.002","1447.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","1a in manuscript","","","- C40 H30 -","- C40 H30 -","- C80 H60 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0768","0.0511","","","0.1129","0.1319","","","","","","1.041","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030205","14.6419","0.0006","15.164","0.0006","17.0369","0.0007","90","","111.209","0.001","90","","3526.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2a in manuscript","","","- C46 H42 -","- C46 H42 -","- C184 H168 -","4","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0838","0.0497","","","0.112","0.129","","","","","","1.016","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030206","13.3327","0.0013","14.1261","0.0013","22.859","0.002","80.065","0.003","79.996","0.003","65.861","0.003","3844.3","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3a in manuscript","","","- C46.25 H42 Cl0.28 O6.12 -","- C46.258 H42 Cl0.2705 O6.1225 -","- C185.032 H168 Cl1.082 O24.49 -","4","2","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.1721","0.0899","","","0.1538","0.175","","","","","","1.044","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030207","10.1649","0.0006","14.5991","0.0009","19.9342","0.0012","98.273","0.002","104.589","0.002","97.525","0.002","2789.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","1b in manuscript","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","2","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0754","0.0481","","","0.0992","0.1173","","","","","","1.062","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030208","9.8747","0.0009","11.2191","0.001","17.2403","0.0015","103.764","0.002","97.167","0.003","109.021","0.002","1710.7","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","2b in manuscript","","","- C46 H42 -","- C46 H42 -","- C92 H84 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.1195","0.063","","","0.1382","0.1633","","","","","","1.047","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030209","9.6352","0.0005","11.5649","0.0007","18.7317","0.0011","97.6701","0.0014","103.632","0.0013","111.834","0.0013","1825.52","0.18","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3b in manuscript","","","- C46 H42 O6 -","- C46 H42 O6 -","- C92 H84 O12 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0744","0.0482","","","0.1061","0.1196","","","","","","1.02","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030210","5.5979","0.0009","16.633","0.0016","8.6913","0.0007","90","","101.74","0.011","90","","792.32","0.16","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C38 H32 Br2 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","1.54184","CuKα","","0.0327","0.0313","","","0.0798","0.0823","","","","","","1.044","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030211","7.9007","0.0016","10.334","0.002","8.6158","0.0017","90","","111.72","0.03","90","","653.5","0.3","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","0.71073","MoKα","","0.0465","0.0422","","","0.0991","0.1025","","","","","","1.087","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030212","9.5719","0.0007","8.5121","0.0007","17.2444","0.0013","90","","97.11","0.006","90","","1394.22","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0788","0.0459","","","0.0956","0.108","","","","","","1.004","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030213","10.091","0.0006","14.27","0.0008","16.4485","0.0009","64.623","0.003","72.52","0.004","80.615","0.003","2039.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C104 H104 O12 -","4","2","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0857","0.0456","","","0.1012","0.1193","","","","","","1.014","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030214","12.1767","0.0004","7.0864","0.0002","18.9922","0.0009","90","","105.033","0.003","90","","1582.73","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O2 -","- C19 H24 O2 -","- C76 H96 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0576","0.052","","","0.1473","0.1551","","","","","","0.938","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030215","14.5496","0.0007","7.1138","0.0003","17.4167","0.0009","90","","99.946","0.003","90","","1775.59","0.15","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0752","0.0583","","","0.1625","0.1855","","","","","","1.102","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030216","11.1013","0.0003","8.4844","0.0002","15.9687","0.0005","90","","95.724","0.002","90","","1496.56","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.045","0.0381","","","0.092","0.0972","","","","","","1.042","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030217","5.9783","0.0011","7.2121","0.0011","13.006","0.003","77.36","0.007","79.561","0.007","89.748","0.008","537.76","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 Cl O2 -","- C11 H17 Cl O2 -","- C22 H34 Cl2 O4 -","2","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0403","0.0362","","","0.0993","0.1079","","","","","","1.123","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030218","7.3582","0.0002","10.2308","0.0003","10.3868","0.0004","95.5","0.002","97.251","0.002","101.113","0.001","755.3","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0936","0.0647","","","0.1919","0.2211","","","","","","1.036","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030219","8.836","0.002","6.0632","0.0019","16.037","0.005","90","","100.167","0.007","90","","845.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C30 H56 N4 O10 -","2","1","","Sánchez-Fernández, Elena M; Álvarez, Eleuterio; Ortiz Mellet, Carmen; García Fernández, José M","Synthesis of multibranched australine derivatives from reducing castanospermine analogues through the Amadori rearrangement of gem-diamine intermediates: selective inhibitors of β-glucosidase.","The Journal of organic chemistry","2014","79","23","11722","11728","10.1021/jo5025283","","","0.71073","MoKα","","0.0689","0.0513","","","0.1319","0.1718","","","","","","1.096","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030220","18.6028","0.0008","19.681","0.0009","19.8332","0.0008","114.23","0.002","101.248","0.002","94.91","0.002","6382.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","compound 13","","- C74.5 H65 O8.25 -","- C74.5 H65 O8.25 -","- C298 H260 O33 -","4","2","","Schwenger, Alexander; Gerlach, Claudia; Griesser, Helmut; Richert, Clemens","Synthesis of eight-arm, branched oligonucleotide hybrids and studies on the limits of DNA-driven assembly.","The Journal of organic chemistry","2014","79","23","11558","11566","10.1021/jo5022053","","","1.54178","CuKα","","0.1014","0.0828","","","0.2096","0.2204","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030221","15.83","0.002","5.1326","0.0007","17.275","0.002","90","","107.501","0.002","90","","1338.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 N O3 -","- C15 H11 F2 N O3 -","- C60 H44 F8 N4 O12 -","4","1","","Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.","Synthesis of gem-difluorinated nitroso compounds.","The Journal of organic chemistry","2014","79","23","11819","11823","10.1021/jo5023537","","","0.71073","MoKα","","0.0769","0.0459","","","0.1071","0.1212","","","","","","1.054","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030222","8.5372","0.0006","10.4431","0.0007","12.236","0.0008","81.804","0.001","69.686","0.001","82.905","0.001","1009.37","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 F2 N O4 -","- C24 H19 F2 N O4 -","- C48 H38 F4 N2 O8 -","2","1","","Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.","Synthesis of gem-difluorinated nitroso compounds.","The Journal of organic chemistry","2014","79","23","11819","11823","10.1021/jo5023537","","","0.71073","MoKα","","0.0649","0.045","","","0.0969","0.1073","","","","","","1.017","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030223","22.0688","0.0004","6.4813","0.0001","25.2718","0.0005","90","","104.499","0.0008","90","","3499.62","0.11","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C160 H176 N16 O32 -","8","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.045","0.0377","","0.1","0.0952","0.1","","","","","","0.9978","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030224","5.2895","0.0003","25.359","0.002","15.0712","0.0011","90","","98.909","0.005","90","","1997.2","0.2","200","","200","","","","","","","","local","3","C 1 c 1","C -2yc","9","","","","- C22 H24 O8 -","- C22 H24 O8 -","- C88 H96 O32 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0657","0.0465","","0.1134","0.1014","0.1134","","","","","","0.9787","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030225","4.4393","0.0001","7.7069","0.0002","19.5385","0.0005","90","","94.3771","0.0017","90","","666.53","0.03","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","0.5","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.046","0.0382","","0.0965","0.0925","0.0965","","","","","","0.9746","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030226","13.1801","0.0006","11.6477","0.0005","13.9929","0.0005","90","","90.152","0.003","90","","2148.15","0.15","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0927","0.0534","","0.1366","0.1167","0.1366","","","","","","0.9606","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030227","13.4959","0.0002","7.435","0.0001","24.6097","0.0003","90","","93.1287","0.0008","90","","2465.71","0.06","200","","200","","","","","","","","local","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 -","- C34 H28 -","- C136 H112 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.081","0.0583","","0.1532","0.1392","0.1532","","","","","","0.9678","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030228","7.4676","0.0002","6.9456","0.0001","17.1815","0.0004","90","","102.013","0.0011","90","","871.64","0.03","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0324","0.0304","","0.0816","0.0802","0.0816","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030229","10.3961","0.0002","15.5192","0.0005","16.774","0.0004","90","","91.4837","0.0016","90","","2705.4","0.12","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 O12 -","- C28 H30 O12 -","- C112 H120 O48 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0839","0.0523","","0.1324","0.1174","0.1324","","","","","","0.9748","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030230","18.4241","0.0007","12.7737","0.0005","20.9954","0.0005","90","","113.385","0.002","90","","4535.3","0.3","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C22 H44 Si4 -","- C22 H44 Si4 -","- C132 H264 Si24 -","6","3","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.1332","0.0914","","0.2986","0.239","0.2986","","","","","","0.9832","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030233","7.699","0.005","28.969","0.013","8.335","0.005","90","","110.23","0.02","90","","1744.3","1.7","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C88 H64 N8 O4 S4 -","4","1","","Iwasaki, Masayuki; Kaneshika, Wataru; Tsuchiya, Yuta; Nakajima, Kiyohiko; Nishihara, Yasushi","Palladium-catalyzed peri-selective chalcogenation of naphthylamines with diaryl disulfides and diselenides via C-H bond cleavage.","The Journal of organic chemistry","2014","79","23","11330","11338","10.1021/jo502274t","","","0.71075","MoKa","","0.0922","0.0589","","","0.149","0.1712","","","","","","1.042","","","","has coordinates","295950","2024-11-15","22:54:34",""
"4030234","12.037","0.0009","12.9351","0.0009","23.784","0.0018","90","","103.709","0.003","90","","3597.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 Cl N O10 -","- C38 H45 Cl N O10 -","- C152 H180 Cl4 N4 O40 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1604","0.0704","","","0.1029","0.1212","","","","","","0.973","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030235","11.431","0.0011","11.6678","0.0011","14.7274","0.0014","104.737","0.002","95.77","0.002","114.086","0.002","1687.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H46 Br2 N2 O9 -","- C31 H46 Br2 N2 O9 -","- C62 H92 Br4 N4 O18 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.0947","0.0593","","","0.1646","0.1786","","","","","","1.038","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030236","11.425","0.003","11.981","0.003","12.65","0.003","101.734","0.011","99.896","0.012","109.094","0.011","1548","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Cl2 N2 O14 -","- C29 H38 Cl2 N2 O14 -","- C58 H76 Cl4 N4 O28 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.2691","0.1233","","","0.2798","0.3272","","","","","","0.925","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030237","35.487","0.002","9.7899","0.0006","18.4307","0.0012","90","","112.139","0.002","90","","5931","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 Br2 N2 O9 -","- C25 H42 Br2 N2 O9 -","- C200 H336 Br16 N16 O72 -","8","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1183","0.0555","","","0.1303","0.1474","","","","","","0.993","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030238","35.2762","0.0012","9.8049","0.0003","18.5204","0.0008","90","","112.254","0.002","90","","5928.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 Br4 N4 O18 -","- C50 H76 Br4 N4 O18 -","- C200 H304 Br16 N16 O72 -","4","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1511","0.0846","","","0.2391","0.2657","","","","","","0.996","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030239","10.316","0.002","15.932","0.003","18.45","0.003","90","","101.066","0.007","90","","2976","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl2 N2 O14 -","- C25 H36 Cl2 N2 O14 -","- C100 H144 Cl8 N8 O56 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1856","0.0743","","","0.1736","0.2055","","","","","","0.945","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030240","10.8853","0.0003","16.0031","0.0004","17.3331","0.0005","90","","101.216","0.001","90","","2961.73","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Cl4 N4 O28 -","- C50 H72 Cl4 N4 O28 -","- C100 H144 Cl8 N8 O56 -","2","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1016","0.0643","","","0.157","0.1733","","","","","","1.007","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030241","11.1348","0.0005","9.607","0.0004","16.2013","0.0007","90","","109.239","0.0017","90","","1636.29","0.12","230","2","230","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","lk96624","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Kersten, Laura; Harms, Klaus; Hilt, Gerhard","Synthesis of tri-, tetra-, and pentacarbonyl derivatives via ozonolysis of 1,4-dienes and cyclization to polyaromatic systems.","The Journal of organic chemistry","2014","79","23","11661","11673","10.1021/jo502308d","","","0.71073","MoKα","","0.072","0.0463","","","0.1098","0.1236","","","","","","1.029","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030242","18.1968","0.0012","18.4667","0.0011","17.8241","0.0012","90","","107.936","0.002","90","","5698.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 O6 -","- C38 H34 O6 -","- C304 H272 O48 -","8","1","","Kersten, Laura; Harms, Klaus; Hilt, Gerhard","Synthesis of tri-, tetra-, and pentacarbonyl derivatives via ozonolysis of 1,4-dienes and cyclization to polyaromatic systems.","The Journal of organic chemistry","2014","79","23","11661","11673","10.1021/jo502308d","","","0.71073","MoKα","","0.1078","0.0665","","","0.1404","0.1619","","","","","","1.057","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030286","16.9222","0.0014","10.4851","0.0008","23.796","0.002","90","","90","","90","","4222.1","0.6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H22 Br N O3 -","- C24 H22 Br N O3 -","- C192 H176 Br8 N8 O24 -","8","2","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0814","0.0549","","","0.1556","0.1861","","","","","","1.071","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030287","13.2694","0.0007","11.5931","0.0006","15.3462","0.0008","90","","108.069","0.003","90","","2244.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Br2 N O3 -","- C24 H23 Br2 N O3 -","- C96 H92 Br8 N4 O12 -","4","1","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0765","0.049","","","0.1445","0.1757","","","","","","1.058","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030288","9.6427","0.001","19.228","0.002","9.9157","0.0011","90","","110.877","0.005","90","","1717.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Br2 N O -","- C19 H15 Br2 N O -","- C76 H60 Br8 N4 O4 -","4","1","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0478","0.0337","","","0.0946","0.1155","","","","","","1.17","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030289","7.2241","0.0014","30.833","0.009","32.125","0.01","90","","90","","90","","7156","3","100.01","0.1","100.01","0.1","","","","","","","","3","I 2 2 2","I 2 2","23","","","","- C27 H44.5 O3 -","- C27 H44.5 O3 -","- C216 H356 O24 -","8","1","","Sokolowska, Katarzyna; Carballa, Diego; Seoane, Samuel; Pérez-Fernández, Román; Mouriño, Antonio; Sicinski, Rafal R.","Synthesis and Biological Activity of Two C-7 Methyl Analogues of Vitamin D.","The Journal of organic chemistry","2014","80","1","165","","10.1021/jo502243r","","","0.71073","MoKα","","0.2499","0.1058","","","0.2433","0.3113","","","","","","0.872","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030290","6.6262","0.0011","7.6055","0.0016","16.197","0.002","84.686","0.01","81.539","0.01","65.692","0.008","735.3","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C38 H32 O10 -","2","1","","Pasciak, Erick M.; Rittichier, Jonathan T.; Chen, Chun-Hsing; Mubarak, Mohammad S.; VanNieuwenhze, Michael S.; Peters, Dennis G.","Electroreductive Dimerization of Coumarin and Coumarin Analogues at Carbon Cathodes.","The Journal of organic chemistry","2014","80","1","274","","10.1021/jo502272g","","","0.71073","MoKα","","0.1294","0.0751","","0.2806","0.1992","0.2736","","","","","","0.9912","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030291","16.8112","0.0002","4.9796","0.0001","23.1742","0.0003","90","","105.11","0.0015","90","","1872.91","0.05","150","","150","","","","","","","","Research School of Chemistry","3","C 1 2 1","C 2y","5","","","","- C19 H26 O8 -","- C19 H26 O8 -","- C76 H104 O32 -","4","1","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0321","0.0307","","0.0771","0.0759","0.0771","","","","","","1.002","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030292","8.5036","0.0001","26.1166","0.0003","9.3544","0.0001","90","","94.3007","0.0009","90","","2071.62","0.04","150","","150","","","","","","","","Research School of Chemistry","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","2","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0345","0.0325","","0.0841","0.0828","0.0841","","","","","","1.0028","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030293","7.4322","0.0004","22.4492","0.0014","32.2193","0.0019","90","","90","","90","","5375.7","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O5 -","- C31 H44 O5 -","- C248 H352 O40 -","8","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0513","0.0403","","","0.0913","0.0965","","","","","","1.056","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030294","7.0603","0.0009","16.009","0.002","23.988","0.003","90","","90","","90","","2711.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 O3 -","- C32 H48 O3 -","- C128 H192 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.1009","0.055","","","0.1077","0.1284","","","","","","1.02","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030295","11.9733","0.0004","7.2755","0.0002","31.2394","0.001","90","","98.701","0.001","90","","2690","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O4 -","- C31 H44 O4 -","- C124 H176 O16 -","4","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0341","0.0319","","","0.0854","0.0873","","","","","","1.043","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030296","7.1561","0.0004","15.9743","0.0008","22.9204","0.0011","90","","90","","90","","2620.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O3 -","- C31 H46 O3 -","- C124 H184 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0376","0.0346","","","0.0872","0.0894","","","","","","1.053","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030297","28.65","0.011","4.9547","0.0018","22.409","0.008","90","","97.901","0.013","90","","3151","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C128 H152 Br8 O32 -","8","2","","Risi, Roberto M.; Maza, Andrew M.; Burke, Steven D.","Asymmetric Hydroformylation-Initiated Tandem Sequences for Syntheses of (+)-Patulolide C, (-)-Pyrenophorol, (+)-Decarestrictine L, and (+)-Prelog Djerassi Lactone.","The Journal of organic chemistry","2014","80","1","204","","10.1021/jo502301k","","x-ray","0.71073","MoKα","K-L~3~","0.0379","0.0305","","","0.0595","0.0616","","","","","","1.021","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030298","11.8197","0.0018","13.799","0.002","14.935","0.002","82.224","0.003","80.254","0.003","78.604","0.003","2340.3","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B.","Stereoselective Synthesis of Hexahydro-1H-spiro[isoquinoline-4,4'-pyran] Scaffolds through an Intramolecular Prins Cascade Process.","The Journal of organic chemistry","2014","80","1","653","","10.1021/jo5023926","","","0.71073","MoKα","","0.0978","0.0699","","","0.1815","0.2037","","","","","","1.023","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030299","8.9351","0.0003","10.5522","0.0003","14.2075","0.0004","91.2659","0.0009","104.146","0.0014","104.655","0.0014","1251.64","0.07","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","6-methyl-10-oxo-11,11-diphenyl-4,4a,10,11-tetrahydro- 9H-9-aza-11b-azoniabenzo[de]fluorene bromide","","- C29 H26 Br N3 O -","- C29 H26 Br N3 O -","- C58 H52 Br2 N6 O2 -","2","1","","Palkó, Roberta; Egyed, Orsolya; Rokob, Tibor András; Bombicz, Petra; Riedl, Zsuzsanna; Hajós, György","Transformation of Zwitterionic Pyridine Derivatives to a Spiro-Fused Ring System: Azoniabenzo[de]fluorine. Synthesis and Mechanistic Rationalization.","The Journal of organic chemistry","2014","80","1","174","","10.1021/jo5022663","","","0.71073","MoKα","","0.0384","0.0327","","","0.081","0.0839","","","","","","1.027","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030300","16.33","0.02","20.33","0.03","14.711","0.019","90","","99.3","0.02","90","","4820","11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1a in manuscript","","","- C48 H56 N2 Si2 -","- C51 H56 N2 Si2 -","- C204 H224 N8 Si8 -","4","1","","Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F.","Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics.","The Journal of organic chemistry","2014","80","1","582","","10.1021/jo502564w","","","0.71073","MoKα","","0.1998","0.1369","","","0.3663","0.4113","","","","","","1.415","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030301","7.5797","0.0017","17.349","0.003","26.474","0.004","103.24","0.015","98.052","0.015","93.741","0.015","3338.2","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N2 Si2 -","- C34 H48 N2 Si2 -","- C136 H192 N8 Si8 -","4","2","","Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F.","Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics.","The Journal of organic chemistry","2014","80","1","582","","10.1021/jo502564w","","","1.54178","CuKα","","0.2515","0.093","","","0.162","0.2187","","","","","","1.008","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030302","22.9995","0.0008","5.0912","0.0002","12.9419","0.0005","90","","95.103","0.003","90","","1509.43","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Achar, Tapas Kumar; Mal, Prasenjit","Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation.","The Journal of organic chemistry","2014","80","1","666","","10.1021/jo502464n","","","0.71073","MoKα","","0.0576","0.0399","","","0.097","0.109","","","","","","1.016","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030303","5.7438","0.0003","18.2969","0.001","15.3844","0.0008","90","","90.528","0.004","90","","1616.74","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Achar, Tapas Kumar; Mal, Prasenjit","Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation.","The Journal of organic chemistry","2014","80","1","666","","10.1021/jo502464n","","","0.71073","MoKα","","0.0779","0.0438","","","0.0969","0.1122","","","","","","1.021","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030304","17.6618","0.0008","17.4368","0.0007","13.5068","0.0005","90","","96.873","0.002","90","","4129.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.4 H47.2 Br2 Cl0.8 N6 O8.2 -","- C46.4029 H47.1938 Br2 Cl0.806 N6 O8.194 -","- C185.612 H188.775 Br8 Cl3.224 N24 O32.776 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0953","0.0585","","","0.0955","0.0967","","","","","","3.308","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030305","9.5308","0.0008","9.7901","0.0009","13.8253","0.0012","90","","100.914","0.002","90","","1266.67","0.19","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H30 N2 O7 S -","- C27 H30 N2 O7 S -","- C54 H60 N4 O14 S2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0487","0.0412","","","0.0772","0.0785","","","","","","1.413","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030306","8.0482","0.0004","14.1277","0.0008","15.3665","0.0008","99.073","0.002","94.101","0.003","91.448","0.002","1719.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H45 Br N2 O6 Si -","- C34 H45 Br N2 O6 Si -","- C68 H90 Br2 N4 O12 Si2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0754","0.0402","","","0.0805","0.0892","","","","","","1.117","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030307","17.6754","0.0007","11.5184","0.0005","22.3282","0.0009","90","","110.488","0.002","90","","4258.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 F3 N6 O11 S2 -","- C42 H39 F3 N6 O11 S2 -","- C168 H156 F12 N24 O44 S8 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0994","0.061","","","0.1142","0.122","","","","","","1.647","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030308","7.5798","0.0003","30.0522","0.0012","8.3663","0.0003","90","","103.61","0.0019","90","","1852.24","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C88 H80 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.07","0.0491","","","0.1139","0.1189","","","","","","1.633","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030309","8.932","0.0003","27.1836","0.001","9.0145","0.0003","90","","107.683","0.002","90","","2085.34","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N3 O4 -","- C23 H24 Br N3 O4 -","- C92 H96 Br4 N12 O16 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0694","0.047","","","0.0646","0.0654","","","","","","2.528","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030310","15.5078","0.0013","11.2221","0.001","18.4268","0.0016","90","","94.725","0.001","90","","3195.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N3 O4 S2 -","- C37 H39 N3 O4 S2 -","- C148 H156 N12 O16 S8 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0982","0.0531","","","0.0888","0.0932","","","","","","1.394","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030311","9.1581","0.0002","12.6857","0.0003","16.703","0.0003","90","","90","","90","","1940.5","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O5 -","- C22 H19 Br N2 O5 -","- C88 H76 Br4 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0337","0.0252","","","0.0489","0.05","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030312","13.243","0.002","14.115","0.002","25.059","0.004","90","","90","","90","","4684.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O5 S -","- C26 H22 N4 O5 S -","- C208 H176 N32 O40 S8 -","8","2","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.2168","0.1085","","","0.1814","0.2078","","","","","","1.294","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030313","10.9264","0.0005","12.1779","0.0006","14.2739","0.0007","73.033","0.001","67.662","0.001","67.376","0.001","1597.82","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H27 Cl F3 N7 O6 S -","- C33 H27 Cl F3 N7 O6 S -","- C66 H54 Cl2 F6 N14 O12 S2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.069","0.0454","","","0.0773","0.0795","","","","","","1.637","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030314","7.5873","0.0009","8.0869","0.0012","10.0489","0.0009","102.73","0.01","96.588","0.009","117.756","0.013","515.07","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","1","","Zhang, Mingliang; Zhang, Hui-Jun; Han, Tiantian; Ruan, Wenqing; Wen, Ting-Bin","Rh(III)-Catalyzed Oxidative Coupling of Benzoic Acids with Geminal-Substituted Vinyl Acetates: Synthesis of 3-Substituted Isocoumarins.","The Journal of organic chemistry","2014","80","1","620","","10.1021/jo502231y","","","0.71073","MoKα","","0.0619","0.0517","","","0.14","0.147","","","","","","1.04","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030316","9.2564","0.0003","11.0884","0.0004","11.8407","0.0004","90","","93.789","0.0019","90","","1212.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-(((3aR,7aR)-1,3-diisopropyl-2-oxidohexahydro-1H-benzo[d][1,3,2] diazaphosphol-2(3H)-yl)amino)-1-morhpolino-2-phenylethanone","","- C24 H39 N4 O3 P -","- C24 H39 N4 O3 P -","- C48 H78 N8 O6 P2 -","2","1","","Seifert, Cole W.; Pindi, Suresh; Li, Guigen","Asymmetric Carbamoyl Anion Additions to Chiral N-Phosphonyl Imines via the GAP Chemistry Process and Stereoselectivity Enrichments.","The Journal of organic chemistry","2014","80","1","447","","10.1021/jo5024443","","","0.71073","MoKα","","0.0316","0.0296","","","0.0707","0.0718","","","","","","1.055","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030317","9.4842","0.0005","13.6912","0.0007","14.0603","0.0006","90","","90","","90","","1825.73","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Avila, Eloah P.; Justo, Rodrigo M. S.; Gonçalves, Vanessa P; Pereira, Adriane A.; Diniz, Renata; Amarante, Giovanni W.","Chiral Brønsted Acid-Catalyzed Stereoselective Mannich-Type Reaction of Azlactones with Aldimines.","The Journal of organic chemistry","2014","80","1","590","","10.1021/jo5024975","","","0.71073","MoKα","","0.0843","0.0458","","","0.0819","0.0955","","","","","","1.015","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030318","6.2791","0.0013","9.689","0.0019","17.74","0.004","79.89","0.03","87.19","0.03","81.26","0.03","1049.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","2","","Modak, Atanu; Rana, Sujoy; Maiti, Debabrata","Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone.","The Journal of organic chemistry","2014","80","1","296","","10.1021/jo502362k","","","0.71073","MoKα","","0.0618","0.0486","","","0.1552","0.187","","","","","","1.203","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030319","6.514","0.004","12.217","0.008","13.374","0.009","90","","92.8","0.011","90","","1063.1","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Modak, Atanu; Rana, Sujoy; Maiti, Debabrata","Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone.","The Journal of organic chemistry","2014","80","1","296","","10.1021/jo502362k","","","0.71075","MoKα","","0.0792","0.0625","","","0.1902","0.1997","","","","","","1.078","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030320","8.574","0.003","13.462","0.004","21.063","0.006","90","","99.394","0.003","90","","2398.6","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br4 O8 -","- C24 H16 Br4 O8 -","- C96 H64 Br16 O32 -","4","1","","Boukouvalas, John; Thibault, Charles","Step-Economical Synthesis of the Marine Ascidian Antibiotics Cadiolide A, B, and D.","The Journal of organic chemistry","2014","80","1","681","","10.1021/jo502503w","","","0.71073","MoKα","","0.0862","0.0466","","","0.1015","0.1194","","","","","","1.028","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030321","6.4713","0.0002","6.9416","0.0002","11.6404","0.0004","90","","101.765","0.002","90","","511.92","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_1a","gene191","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C20 H26 N2 O4 S2 -","2","1","","Fauber, Benjamin P.; Clagg, Kyle; Gibbons, Paul; Rene, Olivier","An Experimental and Computational Study of the Diastereoselective Alkylations of 3-Substituted gamma-Sultams.","The Journal of organic chemistry","2014","80","1","685","","10.1021/jo502506j","","","1.54178","CuKα","","0.0297","0.0294","","","0.0777","0.078","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4030322","11.4904","0.0003","9.23","0.0002","11.485","0.0003","90","","106.486","0.0015","90","","1167.98","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-thiosaccharyl-1-methyltetrazole","1,2-benzisothiazole 1,1-dioxo 3-(5-thio-1-methyl) tetrazole","","- C9 H7 N5 O2 S2 -","- C9 H7 N5 O2 S2 -","- C36 H28 N20 O8 S8 -","4","1","","Ismael, A.; Borba, A.; Henriques, M. S. C.; Paixão, J A; Fausto, R.; Cristiano, M. L. S.","Structure and Photochemistry of a Saccharyl Thiotetrazole.","The Journal of organic chemistry","2014","80","1","392","","10.1021/jo502419u","","","0.71073","MoKα","","0.0598","0.0372","","","0.0914","0.103","","","","","","1.022","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030323","6.9301","0.0005","15.6506","0.0012","22.801","0.0018","90","","90","","90","","2473","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C76 H100 N12 O16 -","4","1","","Crouillebois, Laurence; Pantaine, Loïc; Marrot, Jérôme; Coeffard, Vincent; Moreau, Xavier; Greck, Christine","Solvent- and Catalyst-Free Synthesis of Nitrogen-Containing Bicycles through Hemiaminal Formation/Diastereoselective Hetero-Diels-Alder Reaction with Diazenes.","The Journal of organic chemistry","2014","80","1","595","","10.1021/jo502087a","","","0.71073","MoKα","","0.1195","0.0872","","","0.2445","0.2656","","","","","","1.082","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030324","12.5026","0.0004","13.2431","0.0003","12.5514","0.0004","90","","99.25","0.003","90","","2051.15","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.054","0.0401","","","0.0864","0.0939","","","","","","1.057","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030325","15.8984","0.0004","12.9658","0.0003","19.5357","0.0005","90","","90","","90","","4027","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 2-(2,3-diphenyl-1H-indol-1-yl)malonate","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.0766","0.0414","","","0.0883","0.1109","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030326","8.637","0.003","10.927","0.004","26.065","0.01","90","","90","","90","","2459.9","1.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 N O2 P -","- C25 H42 N O2 P -","- C100 H168 N4 O8 P4 -","4","1","","Zhao, Yalei; Chen, Xiuling; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Catalyst-Free and Selective C-N Bond Functionalization: Stereospecific Three-Component Coupling of Amines, Dichloromethane, and >P(O)H Species Affording α-Aminophosphorus Compounds.","The Journal of organic chemistry","2014","80","1","62","","10.1021/jo501961h","","","0.71073","MoKα","","0.03","0.0285","","","0.076","0.0771","","","","","","1.035","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030327","13.407","0.001","15.6938","0.001","8.8651","0.0005","90","","90","","90","","1865.3","0.2","180","0.1","180","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0559","0.042","","","0.0849","0.092","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030328","17.6047","0.0009","17.8743","0.001","9.7826","0.0005","90","","100.979","0.005","90","","3022","0.3","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","2","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0862","0.0524","","","0.1106","0.1277","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030329","17.4149","0.0012","9.7931","0.0004","20.91","0.0011","90","","113","0.007","90","","3282.6","0.4","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C128 H168 N8 O40 -","8","2","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0862","0.051","","","0.1089","0.1265","","","","","","1.029","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030330","20.8235","0.0004","7.2405","0.0001","24.6478","0.0004","90","","90","","90","","3716.21","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C168 H160 Cl8 N8 O24 -","8","1","","Wang, Long; Ren, Zhi-Lin; Ding, Ming-Wu","Synthesis of 2,3-Dihydro-1H-2-benzazepin-1-ones and 3H-2-Benzoxepin-1-ones by Isocyanide-Based Multicomponent Reaction/Wittig Sequence Starting from Phosphonium Salt Precursors.","The Journal of organic chemistry","2014","80","1","641","","10.1021/jo502275f","","","1.54178","CuKα","","0.0359","0.0341","","","0.0897","0.0913","","","","","","1.119","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030331","12.90894","0.00019","15.8188","0.0002","12.3797","0.0002","90","","110.438","0.0018","90","","2368.85","0.07","100","2","99.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diisopropyl (1-((4-methylphenyl)sulfonamido)-2-nitro-1-phenylethyl)phosphonate","","- C21 H29 N2 O7 P S -","- C21 H29 N2 O7 P S -","- C84 H116 N8 O28 P4 S4 -","4","1","","Vicario, Javier; Ortiz, Pablo; Ezpeleta, José M; Palacios, Francisco","Asymmetric Synthesis of Functionalized Tetrasubstituted α-Aminophosphonates through Enantioselective Aza-Henry Reaction of Phosphorylated Ketimines.","The Journal of organic chemistry","2014","80","1","156","","10.1021/jo502233m","","","1.5418","CuKα","","0.0429","0.0383","","","0.134","0.1397","","","","","","1.186","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030332","9.0361","0.0018","9.7342","0.0019","10.511","0.002","83.842","0.004","69.579","0.004","68.224","0.004","804.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C40 H30 N6 O2 -","2","1","","Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones.","The Journal of organic chemistry","2014","80","1","482","","10.1021/jo5024848","","","0.71073","MoKα","","0.0722","0.049","","","0.1564","0.1906","","","","","","1.094","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030333","10.534","0.002","18.887","0.004","8.1159","0.0019","90","","108.767","0.003","90","","1528.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N3 O -","- C20 H14 N3 O -","- C80 H56 N12 O4 -","4","1","","Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones.","The Journal of organic chemistry","2014","80","1","482","","10.1021/jo5024848","","","0.71073","MoKα","","0.0738","0.0473","","","0.1291","0.1485","","","","","","1.061","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030334","8.5949","0.0004","12.6279","0.0006","17.9523","0.001","90","","95.417","0.005","90","","1939.76","0.17","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Zuo, Jian; Wu, Zhi-Jun; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Preparation of 3-Sulfonylated 3,3-Disubstituted Oxindoles by the Addition of Sulfinate Salts to 3-Halooxindoles.","The Journal of organic chemistry","2014","80","1","634","","10.1021/jo502270a","","","1.54184","CuKα","","0.0742","0.0626","","","0.1683","0.181","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030335","25.5426","0.0004","25.5426","0.0004","4.6785","0.0001","90","","90","","90","","3052.37","0.09","291","2","291","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","","Li, Dan-Dan; Li, Zhong-Yuan; Wang, Guan-Wu","Catalyst-Free Approach to Construct C-C Bond Initiated by N-O Bond Cleavage under Thermal Conditions.","The Journal of organic chemistry","2014","80","1","190","","10.1021/jo502287y","","","1.54184","CuKα","","0.065","0.0515","","","0.14","0.1534","","","","","","1.04","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030336","15.7682","0.0003","15.6424","0.0003","16.4914","0.0004","90","","119.547","0.0007","90","","3538.66","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Cl3 N6 O4 Pd2 -","- C37 H27 Cl3 N6 O4 Pd2 -","- C148 H108 Cl12 N24 O16 Pd8 -","4","1","","Qiu, Renhua; Reddy, Vutukuri Prakash; Iwasaki, Takanori; Kambe, Nobuaki","The Palladium-Catalyzed Intermolecular C-H Chalcogenation of Arenes.","The Journal of organic chemistry","2014","80","1","367","","10.1021/jo502402d","","","0.71075","MoKα","","","0.0286","","","","0.0706","","","","","","1.055","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030365","7.4398","0.0009","16.709","0.002","18.329","0.002","90","","90","","90","","2278.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C100 H120 N8 O16 -","4","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0482","0.0412","","","0.1033","0.1076","","","","","","1.044","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030366","7.9977","0.0016","9.4736","0.0018","15.462","0.003","90","","101.002","0.004","90","","1150","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C46 H68 N4 O8 -","2","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0535","0.0461","","","0.1195","0.1253","","","","","","1.04","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030367","25.595","0.006","9.572","0.002","25.369","0.006","90","","97.71","0.004","90","","6159","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N6 O -","- C44 H26 N6 O -","- C352 H208 N48 O8 -","8","2","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1525","0.0688","","","0.1327","0.156","","","","","","1.017","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030368","30.029","0.018","14.388","0.009","32.622","0.019","90","","111.519","0.009","90","","13112","14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89.674 H53.935 Cl0.413 N10 Ni2 O4 -","- C89.674 H53.935 Cl0.413 N10 Ni2 O4 -","- C717.392 H431.48 Cl3.304 N80 Ni16 O32 -","8","1","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1822","0.0652","","","0.1148","0.1445","","","","","","0.95","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030369","15.424","0.002","15.424","0.002","13.692","0.004","90","","90","","90","","3257.3","1.1","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H27 N5 Ni O2 -","- C44 H27 N5 Ni O2 -","- C176 H108 N20 Ni4 O8 -","4","0.25","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1318","0.0504","","","0.1189","0.1478","","","","","","1.012","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030370","14.6776","0.0005","7.0794","0.0002","32.3824","0.0011","90","","91.906","0.0013","90","","3362.95","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.13 H28.86 Cl0.68 N6 Pd -","- C46.129 H28.855 Cl0.676 N6 Pd -","- C184.516 H115.42 Cl2.704 N24 Pd4 -","4","1","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","1.54178","CuKα","","0.0355","0.0333","","","0.0786","0.0799","","","","","","1.105","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030371","8.0113","0.0003","34.7315","0.0011","8.13","0.0003","90","","114.014","0.002","90","","2066.33","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C96 H64 N8 O24 -","4","1","","Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang; Liang, Yong-Min","Metal-Free Three-Component Oxyazidation of Alkenes with Trimethylsilyl Azide and N-Hydroxyphthalimide.","The Journal of organic chemistry","2014","80","1","290","","10.1021/jo502327r","","","0.71073","MoKα","","0.061","0.044","","","0.1191","0.1369","","","","","","1.124","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030372","8.4068","0.0005","11.7148","0.0006","24.5654","0.0014","90","","90","","90","","2419.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Shen, Mengmeng; Tu, Yawei; Xie, Guanqun; Niu, Qingsheng; Mao, Hui; Xie, Tingting; Flowers, 2nd, Robert A; Lv, Xin; Wang, Xiaoxia","Allylsamarium Bromide-Mediated Cascade Cyclization of Homoallylic Esters. Synthesis of 2-(2-Hydroxyalkyl)cyclopropanols and 2-(2-Hydroxyethyl)bicyclo[2.1.1]hexan-1-ols.","The Journal of organic chemistry","2014","80","1","52","","10.1021/jo501797w","","","0.71073","MoKα","","","0.0449","","","0.1327","0.1577","","","","","","0.815","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030373","10.7708","0.0019","16.326","0.003","7.5417","0.0013","90","","107.601","0.003","90","","1264.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Zhu, Yuequan; Gong, Yuefa","Construction of 2-Pyrone Skeleton via Domino Sequence between 2-Acyl-1-Chlorocyclopropanecarboxylate and Amines.","The Journal of organic chemistry","2014","80","1","490","","10.1021/jo502502z","","","0.71073","MoKα","","0.047","0.0399","","","0.1119","0.1196","","","","","","1.045","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030374","11.9905","0.0002","8.82516","0.00014","34.0165","0.0006","90","","90","","90","","3599.56","0.1","291","2","291.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H16 O3 -","- C23 H16 O3 -","- C184 H128 O24 -","8","1","","Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Wu, Yusheng; Wu, Yangjie","Preparation of 3-Acyl-4-arylcoumarins via Metal-Free Tandem Oxidative Acylation/Cyclization between Alkynoates with Aldehydes.","The Journal of organic chemistry","2014","80","1","148","","10.1021/jo502220b","","","1.54184","CuKα","","0.0614","0.0524","","","0.1514","0.1597","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030375","6.2999","0.0011","7.7215","0.0012","14.823","0.002","90","","95.614","0.013","90","","717.6","0.19","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O -","- C14 H24 N2 O -","- C28 H48 N4 O2 -","2","1","","Feder-Kubis, Joanna; Szefczyk, Borys; Kubicki, Maciej","Symmetrical Imidazolium Chloride Based on (-)-Menthol: Synthesis, Characterization, and Theoretical Model of the Reaction.","The Journal of organic chemistry","2014","80","1","237","","10.1021/jo502317m","","","0.71073","MoKα","","0.0521","0.0474","","","0.1187","0.1226","","","","","","1.101","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030376","7.9","0.003","11.409","0.004","11.512","0.004","63.212","0.005","86.744","0.006","79.229","0.006","909.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl N2 O2 S3 -","- C16 H15 Cl N2 O2 S3 -","- C32 H30 Cl2 N4 O4 S6 -","2","1","","Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás","Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds.","The Journal of organic chemistry","2014","80","1","30","","10.1021/jo501473z","","","0.71073","MoKα","","0.0424","0.0372","","","0.1082","0.1108","","","","","","1.082","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030377","16.942","0.002","14.3803","0.0018","37.907","0.005","90","","101.603","0.003","90","","9047","2","566","2","566","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O6 S3 -","- C28 H33 N3 O6 S3 -","- C336 H396 N36 O72 S36 -","12","3","","Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás","Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds.","The Journal of organic chemistry","2014","80","1","30","","10.1021/jo501473z","","","0.71073","MoKα","","0.1545","0.0708","","","0.1894","0.2262","","","","","","0.922","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030378","17.173","0.002","12.1653","0.0013","22.267","0.002","90","","110.548","0.005","90","","4355.9","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54.91 B4 O8 -","- C41 H54.9098 B4 O8 -","- C164 H219.639 B16 O32 -","4","1","","Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B.","Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity.","The Journal of organic chemistry","2014","80","1","661","","10.1021/jo5024014","","x-ray","0.71073","MoKα","K-L~3~","0.2645","0.1138","","","","0.4176","","","","","","1.1357","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030379","11.952","0.003","11.32","0.003","15.039","0.003","90","","106.308","0.007","90","","1952.9","0.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B4 O8 -","- C40 H54 B4 O8 -","- C80 H108 B8 O16 -","2","0.5","","Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B.","Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity.","The Journal of organic chemistry","2014","80","1","661","","10.1021/jo5024014","","x-ray","0.71073","MoKα","K-L~3~","0.1214","0.0768","","","","0.2476","","","","","","1.0485","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030380","7.1439","0.0008","13.6155","0.0016","11.9858","0.0014","90","","105.574","0.002","90","","1123","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 I N5 -","- C9 H12 I N5 -","- C36 H48 I4 N20 -","4","1","","Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V.","Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes.","The Journal of organic chemistry","2014","80","1","375","","10.1021/jo502405q","","","0.71073","MoKα","","0.0247","0.024","","","0.0604","0.061","","","","","","1.002","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030381","10.8441","0.0005","15.1145","0.0006","18.7318","0.0008","90","","94.449","0.001","90","","3060.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N5 -","- C15 H16 Br N5 -","- C120 H128 Br8 N40 -","8","2","","Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V.","Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes.","The Journal of organic chemistry","2014","80","1","375","","10.1021/jo502405q","","","0.71073","MoKα","","0.0441","0.0305","","","0.0686","0.0739","","","","","","1.018","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030382","11.1","0.003","12.008","0.003","16.129","0.004","97.232","0.006","104.7","0.005","116.149","0.005","1795.3","0.8","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C47.25 H44 N4 -","- C42 H38 N4 -","- C84 H76 N8 -","2","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.1301","0.0641","","","0.1286","0.1446","","","","","","0.88","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030383","9.5372","0.0009","13.6718","0.0012","13.9866","0.0014","90","","90","","90","","1823.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.0556","0.041","","","0.0903","0.0981","","","","","","1.021","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030384","9.2664","0.0009","14.6024","0.0014","20.5848","0.0019","100.749","0.002","101.079","0.002","90.815","0.002","2681.9","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H28 N2 -","- C37 H28 N2 -","- C148 H112 N8 -","4","2","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.1498","0.0588","","","0.1037","0.1355","","","","","","0.945","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030385","13.045","0.003","8.467","0.002","16.568","0.004","90","","100.535","0.005","90","","1799.1","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C92 H96 N8 -","4","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.0515","0.0449","","","0.1007","0.1057","","","","","","1.003","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030386","13.628","0.0008","13.8452","0.0007","12.256","0.0007","90","","113.57","0.0019","90","","2119.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br Cl2 O3 -","- C24 H19 Br Cl2 O3 -","- C96 H76 Br4 Cl8 O12 -","4","1","","Zhao, Yi; Wong, Ying-Chieh; Yeung, Ying-Yeung","An Unexpected 2,3-Dihydrofuran Derivative Ring Opening Initiated by Electrophilic Bromination: Scope and Mechanistic Study.","The Journal of organic chemistry","2014","80","1","453","","10.1021/jo502453f","","","0.71073","MoKα","","0.0318","0.025","","","0.0564","0.0588","","","","","","1.031","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030387","7.3188","0.0007","21.396","0.002","22.175","0.002","90","","90","","90","","3472.5","0.6","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H35 Br N2 O7 -","- C41 H35 Br N2 O7 -","- C164 H140 Br4 N8 O28 -","4","1","","Wang, Cong-Shuai; Zhu, Ren-Yi; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Enantioselective Construction of Spiro[indoline-3,2'-pyrrole] Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions Using Allenes as Equivalents of Alkynes.","The Journal of organic chemistry","2014","80","1","512","","10.1021/jo502516e","","","0.71073","MoKα","","0.17","0.062","","","0.1046","0.1354","","","","","","0.967","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030388","5.7652","0.0015","14.062","0.004","20.949","0.005","90","","90","","90","","1698.3","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(<i>R</i>,<i>E</i>)-4-(4-bromophenyl)-2-hydroxy-2-(2-oxo-2-phenyethyl) but-3-enoate","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C76 H68 Br4 O16 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0627","0.0566","","","0.1283","0.1328","","","","","","1.003","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030389","7.422","0.002","10.122","0.003","16.852","0.005","90","","90","","90","","1266","0.6","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2[(S)-2-(4-bromophneyl)-1-hydroxy-2-oxoethyl]cyclohexanone","","- C14 H15 Br O3 -","- C14 H15 Br O3 -","- C56 H60 Br4 O12 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0594","0.0568","","","0.1337","0.1356","","","","","","0.998","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030390","28.5414","0.0012","6.3924","0.0003","31.3881","0.0014","90","","109.225","0.002","90","","5407.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 I3 N3 -","- C28 H24 I3 N3 -","- C224 H192 I24 N24 -","8","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","","0.71073","MoKα","","0.0748","0.0428","","","0.1111","0.1352","","","","","","0.843","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030391","7.8579","0.0012","10.9549","0.0015","19.72","0.003","75.763","0.005","80.428","0.005","80.484","0.005","1608.7","0.4","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Cl3 Fe2 Si -","- C36 H31 Cl3 Fe2 Si -","- C72 H62 Cl6 Fe4 Si2 -","2","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","x-ray","0.71073","MoKα","","0.1343","0.0823","","","0.2143","0.2491","","","","","","1.043","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030392","7.1349","0.0004","11.2698","0.0005","16.4853","0.0008","79.288","0.002","87.269","0.003","79.285","0.002","1279.64","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br3 N3 -","- C28 H24 Br3 N3 -","- C56 H48 Br6 N6 -","2","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","x-ray","0.71073","MoKα","","0.0709","0.0502","","","0.1164","0.127","","","","","","1.025","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030393","11.8271","0.0004","12.1644","0.0004","20.9525","0.0006","90","","92.288","0.003","90","","3012.02","0.17","446","2","446","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,2,3,4-tetrahydro-1,10-phenanthroline-2,4-diyl)bis(diphenylphosphine oxide)","","- C36 H30 N2 O2 P2 -","- C36 H30 N2 O2 P2 -","- C144 H120 N8 O8 P8 -","4","1","","Gao, Yuxing; Deng, Honggui; Zhang, Shanshan; Xue, Wanhua; Wu, Yile; Qiao, Hongwei; Xu, Pengxiang; Zhao, Yufen","Nickel-catalyzed one-pot tandem 1,4-1,2-addition of p(o)h compounds to 1,10-phenanthrolines.","The Journal of organic chemistry","2015","80","2","1192","1199","10.1021/jo501842p","","","0.71073","MoKα","","0.0752","0.0537","","","0.1034","0.111","","","","","","1.094","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030394","22.496","0.005","10.716","0.002","11.564","0.002","90","","99.96","0.03","90","","2745.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N6 O2 -","- C24 H18 N6 O2 -","- C96 H72 N24 O8 -","4","0.5","","Niu, Pengfei; Kang, Jinfeng; Tian, Xianhai; Song, Lina; Liu, Hongxu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of 2-Amino-1,3,4-oxadiazoles and 2-Amino-1,3,4-thiadiazoles via Sequential Condensation and I2-Mediated Oxidative C-O/C-S Bond Formation.","The Journal of organic chemistry","2014","80","2","1018","","10.1021/jo502518c","","","0.71073","MoKα","","0.1768","0.1681","","","0.4836","0.49","","","","","","2.01","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030395","16.357","0.0004","7.6543","0.0001","19.7358","0.0005","90","","113.449","0.003","90","","2266.89","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Rivero, Alexandra R.; Fernández, Israel; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Synthesis of Oxaspiranic Compounds through [3 + 2] Annulation of Cyclopropenones and Donor-Acceptor Cyclopropanes.","The Journal of organic chemistry","2014","80","2","1207","","10.1021/jo502292y","","","0.71073","MoKα","","0.0678","0.0491","","","0.1169","0.1298","","","","","","1.03","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030396","24.1196","0.0012","4.5707","0.0002","25.3434","0.0012","90","","116.037","0.006","90","","2510.4","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 O3 -","- C15 H9 F3 O3 -","- C120 H72 F24 O24 -","8","2","","Dai, Jian-Jun; Xu, Wen-Tao; Wu, Ya-Dong; Zhang, Wen-Man; Gong, Ying; He, Xia-Ping; Zhang, Xin-Qing; Xu, Hua-Jian","Silver-Catalyzed C(sp(2))-H Functionalization/C-O Cyclization Reaction at Room Temperature.","The Journal of organic chemistry","2015","80","2","911","919","10.1021/jo5024238","","","1.54184","CuKα","","0.0907","0.0621","","","0.1622","0.1832","","","","","","1.086","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030397","8.799","0.002","9.982","0.003","10.691","0.003","82.958","0.003","78.274","0.003","87.522","0.004","912.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C44 H34 N2 O6 S2 -","2","1","","Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei","Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols.","The Journal of organic chemistry","2015","80","2","1269","1274","10.1021/jo5026095","","","0.71069","MoKα","","0.0709","0.0496","","","0.1425","0.1601","","","","","","1.08","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030398","16.205","0.003","7.345","0.002","14.907","0.002","90","","107.902","0.003","90","","1688.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O3 S -","- C18 H14 Br N O3 S -","- C72 H56 Br4 N4 O12 S4 -","4","1","","Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei","Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols.","The Journal of organic chemistry","2015","80","2","1269","1274","10.1021/jo5026095","","","0.71069","MoKα","","0.0918","0.046","","","0.1184","0.1424","","","","","","1.012","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030399","6.205","0.0014","8.1355","0.0018","35.791","0.008","90","","90","","90","","1806.8","0.7","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Br N2 O3 -","- C16 H27 Br N2 O3 -","- C64 H108 Br4 N8 O12 -","4","1","","Zheng, Xiao; Liu, Juan; Ye, Chen-Xi; Wang, Ao; Wang, Ai-E; Huang, Pei-Qiang","SmI2-Mediated Radical Coupling Strategy to Securinega Alkaloids: Total Synthesis of (-)-14,15-Dihydrosecurinine and Formal Total Synthesis of (-)-Securinine.","The Journal of organic chemistry","2015","80","2","1034","1041","10.1021/jo502522x","","","0.71073","MoKα","","0.053","0.0388","","","0.0894","0.0945","","","","","","0.9612","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4030400","7.2974","0.0014","8.3147","0.0015","9.969","0.0019","75.788","0.003","83.489","0.003","89.109","0.004","582.53","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","1","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.132","0.0816","","","0.1779","0.1987","","","","","","1.132","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030401","6.231","0.003","10.287","0.005","12.24","0.006","88.818","0.009","79.149","0.01","89.56","0.009","770.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N2 O -","- C16 H25 N2 O -","- C32 H50 N4 O2 -","2","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.1272","0.0849","","","0.2508","0.2776","","","","","","1.107","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030402","14.465","0.002","11.3032","0.0018","15.418","0.003","90","","111.881","0.003","90","","2339.3","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C96 H128 N8 O24 -","4","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.0903","0.0534","","","0.1002","0.1135","","","","","","0.991","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030403","26.445","0.002","8.1967","0.0006","11.1501","0.0009","90","","109.17","0.001","90","","2282.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C96 H168 N8 O16 -","8","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.0556","0.0497","","","0.1402","0.1465","","","","","","1.039","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030404","12.199","0.003","30.881","0.008","11.905","0.003","90","","95.153","0.004","90","","4467","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 O8 -","- C50 H62 O8 -","- C200 H248 O32 -","4","1","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.1343","0.0764","","","0.1806","0.2231","","","","","","1.051","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030405","12.793","0.0015","12.793","0.0015","13.13","0.0015","90","","90","","90","","2148.9","0.4","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C50 H64 O6 -","- C50.08 H52 O6.04 -","- C100.16 H104 O12.08 -","2","0.25","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.0998","0.0891","","","0.2362","0.2463","","","","","","1.053","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030406","19.5977","0.0017","22.0686","0.0017","12.5591","0.001","90","","126.494","0.001","90","","4366.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H57 Cl3 I2 O2 -","- C45.5 H54 Cl3 I2 O2 -","- C182 H216 Cl12 I8 O8 -","4","0.5","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.0289","0.025","","","0.0623","0.0649","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030407","9.5062","0.0003","19.6014","0.0006","12.7805","0.0005","90","","103.203","0.004","90","","2318.5","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br P Pd -","- C28 H28 Br P Pd -","- C112 H112 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0434","0.0282","","","0.0534","0.0551","","","","","","0.886","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030408","10.0947","0.0006","10.738","0.0005","12.1614","0.0005","102.574","0.004","108.942","0.005","98.328","0.004","1183.34","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 I P Pd -","- C28 H28 I P Pd -","- C56 H56 I2 P2 Pd2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0433","0.0277","","","0.053","0.0558","","","","","","0.933","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030409","10.13","0.0001","18.4054","0.0002","21.491","0.0003","90","","102.291","0.0007","90","","3915.08","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 B F4 P2 Pd -","- C46 H43 B F4 P2 Pd -","- C184 H172 B4 F16 P8 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0559","0.0412","","","0.1022","0.1123","","","","","","1.036","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030410","13.3791","0.0003","9.9376","0.0002","19.0528","0.0005","90","","97.985","0.002","90","","2508.63","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Br P Pd -","- C29 H30 Br P Pd -","- C116 H120 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0302","0.0208","","","0.0437","0.0446","","","","","","0.92","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030411","9.7334","0.0002","15.2486","0.0002","16.0612","0.0003","87.8046","0.001","80.8502","0.0011","72.6476","0.001","2246.27","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.59 H53.82 Br O0.71 P2 Pd -","- C51.59 H53.82 Br O0.705 P2 Pd -","- C103.18 H107.64 Br2 O1.41 P4 Pd2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0582","0.044","","","0.1022","0.1094","","","","","","1.02","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030412","10.1335","0.0003","6.3717","0.0003","31.1401","0.001","90","","90","","90","","2010.64","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H13 I O2 -","- C10 H13 I O2 -","- C80 H104 I8 O16 -","8","2","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0311","0.0269","","","0.0566","0.0588","","","","","","1.085","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030413","6.6232","0.0005","9.2703","0.0007","16.0938","0.0016","90","","91.834","0.008","90","","987.64","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 I O2 -","- C10 H13 I O2 -","- C40 H52 I4 O8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0535","0.0467","","","0.1105","0.1138","","","","","","1.177","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030414","12.7135","0.0012","8.5955","0.0008","8.7809","0.0007","90","","101.702","0.008","90","","939.62","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0997","0.0759","","","0.194","0.2189","","","","","","1.059","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030415","6.4001","0.0002","8.8476","0.0002","19.4784","0.0005","90","","90","","90","","1102.97","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O4 S -","- C11 H16 O4 S -","- C44 H64 O16 S4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0453","0.0345","","","0.0746","0.08","","","","","","1.062","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030416","7.2398","0.0004","9.5416","0.0004","14.6831","0.0009","90.04","0.004","81.463","0.005","85.164","0.004","999.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 O3 P -","- C24 H27 O3 P -","- C48 H54 O6 P2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0505","0.0401","","","0.1002","0.109","","","","","","1.046","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030417","10.548","0.0005","20.8588","0.001","7.67","0.0003","90","","110.904","0.002","90","","1576.47","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C68 H72 N16 O16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.1401","0.1035","","","0.2705","0.2965","","","","","","1.058","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030418","10.0125","0.0002","19.3538","0.0004","13.1438","0.0002","90","","105.824","0.001","90","","2450.48","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Br P Pd -","- C30 H30 Br P Pd -","- C120 H120 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0475","0.0321","","","0.0706","0.0766","","","","","","1.037","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030449","9.6997","0.0007","9.9793","0.0006","10.2055","0.0007","66.838","0.004","73.565","0.004","80.221","0.004","869.2","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Webster, S.; Young, P. C.; Barker, G.; Rosair, G. M.; Lee, A.-L.","Dehydrative Thiolation of Allenols: Indium vs Gold Catalysis.","The Journal of organic chemistry","2015","80","3","1703","1718","10.1021/jo502648w","","","0.71073","MoKα","","0.0734","0.0465","","","0.1039","0.1146","","","","","","1.032","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030450","5.2976","0.0013","17.593","0.004","18.456","0.005","90","","90.178","0.003","90","","1720.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.0538","0.0434","","","0.107","0.1156","","","","","","0.94","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030451","8.27","0.004","20.421","0.008","10.817","0.005","90","","93.676","0.011","90","","1823","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 O -","- C22 H16 N4 O -","- C88 H64 N16 O4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.1332","0.0647","","","0.1651","0.2252","","","","","","1.018","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030452","11.354","0.012","11.372","0.012","12.317","0.013","63.176","0.012","76.23","0.013","65.626","0.012","1290","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Br N2 O2 -","- C31 H31 Br N2 O2 -","- C62 H62 Br2 N4 O4 -","2","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.169","0.095","","","0.228","0.2818","","","","","","0.987","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030453","9.696","0.002","10.159","0.002","10.316","0.002","61.424","0.002","78.793","0.002","65.588","0.002","812.6","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C44 H28 O6 -","2","1","","Yan, Kelu; Yang, Daoshan; Wei, Wei; Wang, Fen; Shuai, Yuanyuan; Li, Qiannan; Wang, Hua","Silver-Mediated Radical Cyclization of Alkynoates and α-Keto Acids Leading to Coumarins via Cascade Double C-C Bond Formation.","The Journal of organic chemistry","2015","80","3","1550","1556","10.1021/jo502474z","","","0.71073","MoKα","","0.054","0.0429","","","0.1073","0.1154","","","","","","1.031","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030454","8.7911","0.0011","12.5062","0.0017","21.034","0.003","104.678","0.003","101.109","0.002","93.165","0.002","2181.9","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O6 -","- C21 H24 Br N O6 -","- C84 H96 Br4 N4 O24 -","4","2","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.0801","0.0502","","","0.1276","0.1467","","","","","","1.038","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030455","22.299","0.003","9.1978","0.0011","15.934","0.002","90","","131.994","0.004","90","","2428.9","0.6","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H23 Br2 N O5 -","- C25 H23 Br2 N O5 -","- C100 H92 Br8 N4 O20 -","4","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.058","0.0454","","","0.1207","0.1638","","","","","","1.167","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030456","10.1214","0.0004","7.5832","0.0003","16.0129","0.0007","90","","103.682","0.003","90","","1194.16","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O6 -","- C26 H26 Br N O6 -","- C52 H52 Br2 N2 O12 -","2","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.0359","0.031","","","0.0684","0.0703","","","","","","1.039","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030457","15.5689","0.0007","12.3293","0.0005","12.3519","0.0006","90","","96.665","0.002","90","","2354.97","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br N O5 -","- C23 H28 Br N O5 -","- C92 H112 Br4 N4 O20 -","4","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.1117","0.0473","","","0.0903","0.1076","","","","","","1.009","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030458","12.154","0.003","9.965","0.003","12.74","0.003","90","","101.872","0.019","90","","1510","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F8 N -","- C17 H11 F8 N -","- C68 H44 F32 N4 -","4","1","","Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M.","Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene.","The Journal of organic chemistry","2015","80","3","1523","1532","10.1021/jo502456h","","","0.71069","MoKα","","0.1646","0.0444","","","0.113","0.1583","","","","","","0.936","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030459","9.8175","0.001","13.2951","0.0014","13.3177","0.0014","90","","90.978","0.002","90","","1738","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","00067z","","","- C21 H12 F8 O -","- C21 H12 F8 O -","- C84 H48 F32 O4 -","4","1","","Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M.","Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene.","The Journal of organic chemistry","2015","80","3","1523","1532","10.1021/jo502456h","","","0.71073","MoKα","","0.0432","0.0357","","","0.0945","0.0996","","","","","","1.041","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030460","11.9085","0.0003","17.1795","0.0004","10.1524","0.0002","90","","90","","90","","2077","0.08","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 F2 N2 O5 -","- C18 H24 F2 N2 O5 -","- C72 H96 F8 N8 O20 -","4","1","","Mamone, Marius; Morvan, Estelle; Milcent, Thierry; Ongeri, Sandrine; Crousse, Benoit","Electrophilic amination of fluoroalkyl groups on azodicarboxylate derivatives.","The Journal of organic chemistry","2015","80","3","1964","1971","10.1021/jo502638y","","","0.71073","MoKα","","0.0326","0.0298","","0.0723","0.0713","0.0723","","","","","","1.0069","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030461","11.7835","0.0008","11.5305","0.0006","13.3166","0.0009","90","","102.697","0.007","90","","1765.1","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl3 N O3 S -","- C15 H18 Cl3 N O3 S -","- C60 H72 Cl12 N4 O12 S4 -","4","2","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0645","0.0556","","","0.1449","0.1621","","","","","","1.08","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030462","20.15","0.003","5.8861","0.0007","30.578","0.004","90","","96.832","0.005","90","","3600.9","0.8","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl3 N O3 S -","- C16 H20 Cl3 N O3 S -","- C128 H160 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0885","0.0662","","","0.1303","0.147","","","","","","1.068","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030463","6.01","0.002","10.244","0.003","16.192","0.004","92.954","0.002","91.751","0.003","102.466","0.003","971.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Cl3 N O3 S -","- C17 H22 Cl3 N O3 S -","- C34 H44 Cl6 N2 O6 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0689","0.0533","","","0.1249","0.1362","","","","","","1.053","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030464","20.259","0.003","5.923","0.001","17.597","0.003","90","","115.345","0.011","90","","1908.3","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 Cl3 N O3 S -","- C17 H22 Cl3 N O3 S -","- C68 H88 Cl12 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1104","0.0884","","","0.2071","0.2476","","","","","","1.158","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030465","11.1849","0.0002","11.7522","0.0002","47.233","0.003","90","","90","","90","","6208.6","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C256 H336 N16 O48 S16 -","16","4","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0808","0.0628","","","0.1531","0.1785","","","","","","1.096","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030466","6.364","0.002","12.235","0.003","13.112","0.003","90","","90","","90","","1020.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0409","0.0329","","","0.0755","0.0804","","","","","","1.034","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030467","6.036","0.001","10.487","0.003","17.295","0.004","92.01","0.02","92.12","0.03","105.04","0.04","1055.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N O4 S -","- C18 H24 Cl3 N O4 S -","- C36 H48 Cl6 N2 O8 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.7107","MoKα","","0.0879","0.0629","","","0.1579","0.1772","","","","","","1.029","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030468","9.746","0.0004","21.034","0.0008","22.8338","0.0016","90","","90","","90","","4680.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl3 N O3 S -","- C22 H24 Cl3 N O3 S -","- C176 H192 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1232","0.0723","","","0.1351","0.1621","","","","","","1.058","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030469","14.712","0.002","11.439","0.002","11.175","0.003","90","","94","0.004","90","","1876.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.074","0.0486","","","0.1255","0.1417","","","","","","1.032","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030470","10.489","0.003","7.978","0.001","10.912","0.002","90","","115.008","0.005","90","","827.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4a'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,7'-pyrrolo[1,2-c] [1,2,3]oxathiazine] 1',1'-dioxide","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C34 H46 N2 O6 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0605","0.0409","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030471","8.299","0.0006","10.7164","0.0008","11.8135","0.0009","95.36","0.003","91.437","0.002","106.618","0.002","1000.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","20120034","","","- C22 H25 Cl Ir N3 -","- C22 H25 Cl Ir N3 -","- C44 H50 Cl2 Ir2 N6 -","2","1","","Wu, Yunxiang; Yang, Yaxi; Zhou, Bing; Li, Yuanchao","Iridium(III)-Catalyzed C-7 Selective C-H Alkynylation of Indolines at Room Temperature.","The Journal of organic chemistry","2015","80","3","1946","1951","10.1021/jo502596k","","","0.71073","MoKα","","0.0169","0.0161","","","0.0498","0.0501","","","","","","1.156","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030472","10.9318","0.0008","17.8483","0.0013","20.0007","0.0015","90","","102.883","0.001","90","","3804.2","0.5","187","2","187","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H10 O -","- C78 H10 O -","- C312 H40 O4 -","4","1","","Chang, Wei-Wei; Li, Zong-Jun; He, Fa-Gui; Sun, Tao; Gao, Xiang","Electronic vs Steric Effects on the Stability of Anionic Species: A Case Study on the Ortho and Para Regioisomers of Organofullerenes.","The Journal of organic chemistry","2015","80","3","1557","1563","10.1021/jo502475w","","","0.71073","MoKα","","0.0774","0.0516","","","0.0986","0.1097","","","","","","1.049","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030473","9.0626","0.0005","14.5164","0.001","12.4684","0.0009","90","","106.449","0.004","90","","1573.16","0.18","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","1","0.5","","Li, Xin; Tan, Wei; Gong, Yu-Xin; Shi, Feng","Catalyst-controlled chemoselective reaction of 3-indolylmethanols with cyclic enaminones leading to c2-functionalized indoles.","The Journal of organic chemistry","2015","80","3","1841","1848","10.1021/jo502782b","","","0.71073","MoKα","","0.0595","0.0448","","","0.1129","0.1273","","","","","","1.065","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030536","32.0238","0.0005","16.1168","0.0002","8.624","0.0006","90","","101.794","0.007","90","","4357.1","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H38 O4 -","- C23 H38 O4 -","- C184 H304 O32 -","8","1","","Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing","Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues.","The Journal of organic chemistry","2014","80","2","836","","10.1021/jo502267g","","","1.54187","CuKα","","0.0522","0.0479","","","0.1286","0.1346","","","","","","1.092","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030537","23.5047","0.0017","13.3187","0.0003","13.1615","0.0003","90","","90","","90","","4120.2","0.3","299","2","299","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","1","","Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing","Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues.","The Journal of organic chemistry","2014","80","2","836","","10.1021/jo502267g","","","1.54178","CuKα","","0.1259","0.0872","","","0.163","0.1798","","","","","","1.349","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030538","5.8763","0.0004","9.3567","0.0007","22.8256","0.0016","90","","95.152","0.004","90","","1249.94","0.15","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","isoxazolidine","(3aS,5aS,7R,8R,8aS)-1-benzyl-8-(benzyloxy)-7-((benzyloxy)methyl)hexahydro-1H-furo [2',3':2,3]furo[3,4-c]isoxazole","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C58 H62 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0515","0.0397","","","0.1055","0.1201","","","","","","1.069","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030539","9.2798","0.0011","11.1028","0.0015","22.049","0.003","90","","90","","90","","2271.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azepane","(3aR,4aR,8S,9aR,9bR)-tert-butyl 9a-acetamido-8-acetoxy-2,2-dimethylhexahydro-3aH-[1,3]dioxolo [4',5':4,5]furo[2,3-c]azepine-6(9bH)-carboxylate","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C80 H128 N8 O32 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0637","0.0473","","","0.1033","0.1115","","","","","","1.031","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030540","6.1419","0.001","20.457","0.003","27.077","0.004","90","","90","","90","","3402.1","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pyranoisoxazole","(3aR,5aR,7aR,10aS,10bR)-1-benzyl-9,9-dimethyloctahydro-[1,3]dioxolo [4'',5'':4',5']pyrano[2',3':2,3]furo[3,4-c]isoxazole","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C144 H184 N8 O40 -","8","2","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.1584","0.0721","","","0.1857","0.2356","","","","","","1.007","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030541","9.66","0.002","10.965","0.002","10.599","0.002","90","","96.916","0.012","90","","1114.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclopentaisooxazole","(3aR,5R,5aS,6aR,9aR,9bR)-1-benzyl-5-(benzyloxy)-8,8-dimethyloctahydro- [1,3]dioxolo[4'',5'':4',5']furo[3',2':1,5]cyclopenta[1,2-c]isoxazole","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0493","0.0404","","","0.1112","0.1208","","","","","","0.976","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030542","5.906","0.002","9.576","0.004","29.275","0.013","90","","90","","90","","1655.7","1.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Furodioxazocin","(3S,6aS,7aR,10aR,10bR)-1-benzyl-9,9-dimethylhexahydro-1H-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,6,2]dioxazocine","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.045","0.0345","","","0.0716","0.0803","","","","","","1.032","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030543","7.6184","0.0003","9.1016","0.0004","15.0206","0.0007","90","","90","","90","","1041.52","0.08","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyloxazinane","((2R,4aS,6aR,7R,9aS)-2-methyloctahydrofuro[3',4':2,3]furo[3,4-d][1,3]oxazin-7-yl)methanol","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0463","0.039","","","0.1109","0.1281","","","","","","0.973","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030544","12.804","0.004","5.996","0.002","13.75","0.005","90","","108.29","0.02","90","","1002.3","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","oxazocinyl acetate","(3S,5R,6aR,7aR,10aR,10bR)-1-benzyl-9,9-dimethyloctahydro-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,2]oxazocin-5-yl acetate","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0883","0.0574","","","0.1487","0.1965","","","","","","1.085","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030545","9.9503","0.0001","8.1458","0.0001","22.6084","0.0003","90","","92.043","0.001","90","","1831.32","0.04","173","2","173.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O Si -","- C21 H28 O Si -","- C84 H112 O4 Si4 -","4","1","","Mori-Quiroz, Luis M; Maleczka, Jr, Robert E","Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways.","The Journal of organic chemistry","2015","80","2","1163","","10.1021/jo5026942","","","1.54178","CuKα","","0.0354","0.0329","","","0.0867","0.0887","","","","","","1.051","","","","has coordinates","201208","2020-10-21","18:00:00",""
"4030546","6.6788","0.0004","9.7813","0.0006","33.0675","0.0016","90","","90","","90","","2160.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 Si -","- C21 H24 N2 O6 Si -","- C84 H96 N8 O24 Si4 -","4","1","","Mori-Quiroz, Luis M; Maleczka, Jr, Robert E","Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways.","The Journal of organic chemistry","2015","80","2","1163","","10.1021/jo5026942","","x-ray","1.54178","CuKα","","0.1006","0.0834","","","0.2177","0.2276","","","","","","1.088","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030547","6.0115","0.0004","7.0059","0.0004","38.087","0.002","90","","90","","90","","1604.07","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F2 O2 -","- C19 H22 F2 O2 -","- C76 H88 F8 O8 -","4","1","","Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Asymmetric Synthesis of gem-Difluoromethylenated Linear Triquinanes via Cascade gem-Difluoroalkyl Radical Cyclization.","The Journal of organic chemistry","2015","80","2","816","827","10.1021/jo5022579","","","0.71073","MoKα","","0.0777","0.0655","","","0.1391","0.145","","","","","","1.169","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030548","9.0305","0.0018","10.168","0.002","13.691","0.003","110.45","0.03","97.33","0.03","97.85","0.03","1145.9","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O -","- C30 H32 O -","- C60 H64 O2 -","2","1","","Zhang, Feng-Zhi; Tian, Yan; Li, Guo-Xing; Qu, Jin","Intramolecular Etherification and Polyene Cyclization of π-Activated Alcohols Promoted by Hot Water.","The Journal of organic chemistry","2015","80","2","1107","","10.1021/jo502636d","","","0.71073","MoKα","","0.0716","0.0459","","","0.1062","0.1183","","","","","","0.996","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030549","8.4181","0.0004","10.6238","0.0005","19.2166","0.0009","90","","90","","90","","1718.58","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SBR1332","","","- C21 H16 N O2 S -","- C21 H17 N O2 S -","- C84 H68 N4 O8 S4 -","4","1","","Seo, Boram; Jeon, Woo Hyung; Kim, Jaeeun; Kim, Sunghwa; Lee, Phil Ho","Synthesis of Fluorenes via Tandem Copper-Catalyzed [3 + 2] Cycloaddition and Rhodium-Catalyzed Denitrogenative Cyclization in a 5-Exo Mode from 2-Ethynylbiaryls and N-Sulfonyl Azides in One Pot.","The Journal of organic chemistry","2014","80","2","722","","10.1021/jo5027113","","","0.71073","","","0.0645","0.0451","","","0.0902","0.0998","","","","","","1.033","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030550","8.1416","0.0004","12.3151","0.0006","16.6694","0.0008","90","","90","","90","","1671.35","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S,Rp)-(-)-Methyl N-t-butoxycarbonyl-N-(1-phenylethyl)-hydroxymethylphosphonamidate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0436","0.0357","","","0.0849","0.0888","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030551","6.146","0.0002","9.9844","0.0004","27.163","0.0011","90","","90","","90","","1666.83","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-(+)-Methyl (1-t-butoxycarbonylamino-1-phenylethyl)-(hydroxymethyl)phosphinate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0374","0.0326","","","0.0854","0.0882","","","","","","1.057","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030552","11.9276","0.001","13.603","0.0013","11.5725","0.0011","90","","100.976","0.004","90","","1843.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R*,Sp*)-(+/-)-methyl [1-(t-butoxycarbonylamino)-3-methylbutyl]-(acetoxymethyl)phosphinate","","- C14 H28 N O6 P -","- C14 H28 N O6 P -","- C56 H112 N4 O24 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0539","0.0413","","","0.114","0.125","","","","","","1.025","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030553","16.62","0.0007","12.9107","0.0006","18.0311","0.0008","90","","110.184","0.002","90","","3631.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(S*,Sp*)-(+/-)-methyl N-Boc-N-(1,2,3,4-tetrahydronaphthalen-1-yl)- hydroxymethylphosphonamidate","","- C17 H26 N O5 P -","- C17 H26 N O5 P -","- C136 H208 N8 O40 P8 -","8","2","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0505","0.0382","","","0.093","0.1012","","","","","","1.054","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030554","11.4665","0.0007","7.6859","0.0003","16.067","0.0011","90","","104.046","0.003","90","","1373.65","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","2","","Ruppenthal, Simon; Brückner, Reinhard","Symmetric Diarylsulfoxides as Asymmetric Sulfinylating Reagents for Dialkylmagnesium Compounds.","The Journal of organic chemistry","2014","80","2","897","","10.1021/jo502417j","","","0.71073","MoKα","","0.051","0.0438","","","0.1092","0.1151","","","","","","1.022","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030555","9.457","0.0019","12.543","0.003","14.467","0.003","90","","94.72","0.03","90","","1710.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Wang, Peng-Fei; Jiang, Chun-Huan; Wen, Xiaoan; Xu, Qing-Long; Sun, Hongbin","C-H Bond Functionalization via [1,5]-Hydride Shift/Cyclization Sequence: Approach to Spiroindolenines.","The Journal of organic chemistry","2015","80","2","1155","","10.1021/jo5026817","","","0.71073","MoKα","","0.1432","0.0662","","","0.1469","0.1837","","","","","","1.004","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030556","7.9118","0.0006","9.9589","0.0008","12.639","0.0001","69.83","0.04","86.015","0.002","69.41","0.001","873.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C40 H46 N6 O2 -","2","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","1.54178","CuKα","","0.2055","0.1161","","","0.2938","0.3993","","","","","","1.015","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030557","15.1376","0.0013","6.8224","0.0012","18.6237","0.0019","90","","103.629","0.002","90","","1869.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O S -","- C21 H19 N3 O S -","- C84 H76 N12 O4 S4 -","4","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","0.71073","MoKα","","0.2246","0.0838","","","0.1476","0.2266","","","","","","1.01","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030558","13.3184","0.0013","7.1606","0.0005","17.5832","0.0018","90","","94.31","0.001","90","","1672.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N3 O2 -","- C19 H14 Br N3 O2 -","- C76 H56 Br4 N12 O8 -","4","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","0.71073","MoKα","","0.1494","0.0667","","","0.1515","0.1708","","","","","","1.019","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030559","9.8175","0.0019","10.663","0.002","18.25","0.004","90","","90","","90","","1910.5","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","1","","Xu, Hao; Ma, Shuang; Xu, Yuanqing; Bian, Longxiang; Ding, Tao; Fang, Xiaomin; Zhang, Wenkai; Ren, Yanrong","Copper-catalyzed one-pot synthesis of 1,2,4-triazoles from nitriles and hydroxylamine.","The Journal of organic chemistry","2015","80","3","1789","1794","10.1021/jo502709t","","","0.71073","MoKα","","0.085","0.057","","","0.1517","0.1739","","","","","","1.063","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030560","9.5559","0.0005","13.1086","0.0007","15.3621","0.0008","105.124","0.002","102.639","0.002","103.148","0.002","1727.97","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9,18-di(4-bromophenyl)tetrabenzo[a,de,j,mn]tetracen-4,13-dione","","- C44.8 H23.59 Br2 Cl1.59 O2 -","- C44.797 H23.594 Br2 Cl1.594 O2 -","- C89.594 H47.188 Br4 Cl3.188 O4 -","2","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.0728","0.0425","","","0.1139","0.1228","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030561","11.5675","0.0005","24.3565","0.0011","12.0597","0.0005","90","","98.503","0.002","90","","3360.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,18-di(isoquinolin-4-yl)tetrabenzo[a,de,j,mn]tetracene-4,13-dione","","- C50 H26 N2 O2 -","- C50 H26 N2 O2 -","- C200 H104 N8 O8 -","4","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.0869","0.0478","","","0.1136","0.1377","","","","","","1.104","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030562","9.275","0.002","18.499","0.004","8.4499","0.0019","90","","97.966","0.008","90","","1435.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxy-1-propyl-7H-benzo[d,e]anthracen-7-one","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.1165","0.0503","","","0.1051","0.1308","","","","","","0.985","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030563","7.4641","0.0005","10.1247","0.0006","11.5543","0.001","93.217","0.006","105.398","0.007","93.602","0.005","837.76","0.11","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C42 H32 N4 O6 -","2","1","","Rao, H. Surya Prakash; Rao, A. Veera Bhadra","Copper-Catalyzed C(sp(3))-OH Cleavage with Concomitant C-C Coupling: Synthesis of 3-Substituted Isoindolinones.","The Journal of organic chemistry","2015","80","3","1506","1516","10.1021/jo502446k","","","0.7107","MoKα","","0.062","0.04","","","0.0891","0.0988","","","","","","1.051","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030564","4.8196","0.0001","12.2685","0.0002","24.9326","0.0004","90","","90","","90","","1474.25","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Njiojob, Costyl N.; Rhinehart, Jennifer L.; Bozell, Joseph J.; Long, Brian K.","Synthesis of enantiomerically pure lignin dimer models for catalytic selectivity studies.","The Journal of organic chemistry","2015","80","3","1771","1780","10.1021/jo502685k","","","0.71073","MoKα","","0.0399","0.0384","","","0.1131","0.1147","","","","","","1.094","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030565","9.656","0.0007","8.9641","0.0008","11.7189","0.0008","90","","96.272","0.007","90","","1008.29","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,3-dithiolan-2-yl)-1H-benzo[d]imidazole","","- C10 H10 N2 S2 -","- C10 H10 N2 S2 -","- C40 H40 N8 S8 -","4","1","","Aruri, Hariprasad; Singh, Umed; Sharma, Sumit; Gudup, Satish; Bhogal, Mukesh; Kumar, Sanjay; Singh, Deepika; Gupta, Vivek K.; Kant, Rajni; Vishwakarma, Ram A.; Singh, Parvinder Pal","Cross-Dehydrogenative Coupling of Azoles with α-C(sp(3))-H of Ethers and Thioethers under Metal-Free Conditions: Functionalization of H-N Azoles via C-H Activation.","The Journal of organic chemistry","2015","80","3","1929","1936","10.1021/jo502477r","","","0.71073","MoKα","","0.0679","0.0461","","","0.1049","0.1198","","","","","","1.025","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030566","9.3527","0.0015","10.9033","0.0016","11.9661","0.0018","100.759","0.007","99.8","0.007","91.703","0.008","1178.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 F3 O1.25 -","- C13 H15 F3 O1.25 -","- C52 H60 F12 O5 -","4","2","","Mandhapati, Appi Reddy; Kato, Takayuki; Matsushita, Takahiko; Ksebati, Bashar; Vasella, Andrea; Böttger, Erik C; Crich, David","Fluorine-decoupled carbon spectroscopy for the determination of configuration at fully substituted, trifluoromethyl- and perfluoroalkyl-bearing carbons: comparison with (19)f-(1)h heteronuclear overhauser effect spectroscopy.","The Journal of organic chemistry","2015","80","3","1754","1763","10.1021/jo502677a","","","0.71073","MoKα","","0.1238","0.0619","","","0.1534","0.1846","","","","","","0.918","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030567","19.293","0.003","10.8085","0.001","36.754","0.007","90","","104.829","0.019","90","","7409","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H43 Cl9 F8 N8 -","- C83 H43 Cl9 F8 N8 -","- C332 H172 Cl36 F32 N32 -","4","1","","Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter","Quinoxaline-Based Cyclo(oligophenylenes).","The Journal of organic chemistry","2015","80","4","2425","2430","10.1021/jo502771a","","","0.71073","MoKα","","0.132","0.0893","","","0.2268","0.2592","","","","","","1.041","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030568","13.7108","0.0019","13.7888","0.0013","17.7891","0.0015","89.424","0.007","70.125","0.01","62.429","0.012","2759.5","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H39 Cl9 N6 -","- C63 H39 Cl9 N6 -","- C126 H78 Cl18 N12 -","2","1","","Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter","Quinoxaline-Based Cyclo(oligophenylenes).","The Journal of organic chemistry","2015","80","4","2425","2430","10.1021/jo502771a","","","0.71073","MoKα","","0.0748","0.0586","","","0.1489","0.1599","","","","","","1.015","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030569","12.5837","0.0018","7.4112","0.0009","15.494","0.0014","90","","97.412","0.01","90","","1432.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Díaz, Jimena E; Vanthuyne, Nicolas; Rispaud, Hélène; Roussel, Christian; Vega, Daniel; Orelli, Liliana R.","Atropisomerism in amidinoquinoxaline N-oxides: effect of the ring size and substituents on the enantiomerization barriers.","The Journal of organic chemistry","2015","80","3","1689","1695","10.1021/jo502626f","","","0.71073","MoKα","","0.2128","0.0773","","","0.2015","0.2632","","","","","","0.925","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030570","20.0898","0.0004","29.1629","0.0005","30.126","0.0006","93.1848","0.0015","103.524","0.0016","107.635","0.0017","16201.4","0.6","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94.5 H102.25 N Si3 -","- C94.5 H102.25 N Si3 -","- C756 H818 N8 Si24 -","8","4","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.0935","0.071","","","0.192","0.2083","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030571","30.7925","0.0009","16.2373","0.0006","34.0415","0.0016","90","","90","","90","","17020.3","1.1","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H69 N O6 S3 -","- C78 H69 N O6 S3 -","- C624 H552 N8 O48 S24 -","8","1","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.1249","0.0966","","","0.2928","0.3178","","","","","","1.177","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030572","21.924","0.0004","37.2892","0.0007","10.7444","0.0002","90","","90","","90","","8783.9","0.3","173","0.1","173","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C101 H109 N O4 S3 Si3 -","- C101 H109 N O4 S3 Si3 -","- C404 H436 N4 O16 S12 Si12 -","4","0.5","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.0691","0.0607","","","0.1596","0.168","","","","","","1.049","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030573","10.4022","0.0006","13.0301","0.0008","14.716","0.0008","109.281","0.004","95.936","0.005","93.636","0.005","1862.52","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H25 B F15 N Si2 -","- C37 H25 B F15 N Si2 -","- C74 H50 B2 F30 N2 Si4 -","2","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0748","0.047","","","0.103","0.1205","","","","","","1.03","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030574","19.0787","0.0006","12.0494","0.0002","34.269","0.0012","90","","111.9","0.002","90","","7309.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 B F15 N Si2 -","- C37 H25 B F15 N Si2 -","- C296 H200 B8 F120 N8 Si16 -","8","2","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0764","0.0539","","","0.1283","0.1431","","","","","","1.044","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030575","13.0052","0.0002","7.3635","0.0001","20.9912","0.0004","90","","101.869","0.001","90","","1967.22","0.06","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F5 N O Si -","- C22 H18 F5 N O Si -","- C88 H72 F20 N4 O4 Si4 -","4","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","0.71073","MoKα","","0.052","0.0448","","","0.1158","0.1225","","","","","","1.04","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030576","24.4029","0.0008","6.2523","0.0002","29.3312","0.001","90","","102.229","0.002","90","","4373.6","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 F5 O S Si2 -","- C20 H21 F5 O S Si2 -","- C160 H168 F40 O8 S8 Si16 -","8","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0507","0.0459","","","0.1286","0.1329","","","","","","1.044","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030577","23.8836","0.0007","10.9631","0.0003","29.7545","0.0006","90","","108.263","0.002","90","","7398.4","0.3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H21 B F15 N Si2 -","- C33 H21 B F15 N Si2 -","- C264 H168 B8 F120 N8 Si16 -","8","2","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0869","0.0684","","","0.1967","0.212","","","","","","1.064","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030578","14.2884","0.0002","10.0454","0.0002","23.209","0.0005","90","","94.795","0.001","90","","3319.59","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 B F15 N Si2 -","- C33 H21 B F15 N Si2 -","- C132 H84 B4 F60 N4 Si8 -","4","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","0.71073","MoKα","","0.1116","0.0723","","","0.1341","0.155","","","","","","1.071","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030579","14.518","0.01","6.084","0.004","20.729","0.01","90","","128.85","0.03","90","","1425.9","1.6","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Wang, Xu; Li, Shen-Yan; Pan, Ying-Ming; Wang, Heng-Shan; Chen, Zhen-Feng; Huang, Ke-Bin","Regioselective palladium-catalyzed decarboxylative cross-coupling reaction of alkenyl acids with coumarins: synthesis of 3-styrylcoumarin compounds.","The Journal of organic chemistry","2015","80","4","2407","2412","10.1021/jo502572j","","","0.71073","MoKα","","0.1024","0.0632","","","0.1882","0.2284","","","","","","1.0792","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030580","6.195","0.001","9.737","0.001","19.016","0.002","90","","90","","90","","1147.1","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-t-butyl(hydroxymethyl)phenylphosphine oxide","","- C11 H17 O2 P -","- C11 H17 O2 P -","- C44 H68 O8 P4 -","4","1","","Sowa, Sylwia; Stankevič, Marek; Szmigielska, Anna; Małuszyńska, Hanna; Kozioł, Anna E; Pietrusiewicz, K Michał","Reduction of Functionalized Tertiary Phosphine Oxides with BH3.","The Journal of organic chemistry","2015","80","3","1672","1688","10.1021/jo502623g","","","1.54184","CuKα","","0.0313","0.0297","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030581","8.2615","0.0004","10.9454","0.0009","23.208","0.002","90","","97.076","0.008","90","","2082.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O2 S -","- C22 H30 N2 O2 S -","- C88 H120 N8 O8 S4 -","4","1","","Kim, Jinho; Stahl, Shannon S.","Cu-Catalyzed Aerobic Oxidative Three-Component Coupling Route to N-Sulfonyl Amidines via an Ynamine Intermediate.","The Journal of organic chemistry","2015","80","4","2448","2454","10.1021/jo5029198","","x-ray","1.54178","CuKα","K-L~3~","0.0327","0.0326","","","0.0843","0.0844","","","","","","1.049","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030582","9.0178","0.0003","8.8539","0.0003","46.2151","0.0014","90","","93.785","0.002","90","","3681.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N2 -","- C50.65 H44.4 N2 -","- C202.6 H177.6 N8 -","4","1","","Diner, Colin; Scott, David E.; Tykwinski, Rik R.; Gray, Murray R.; Stryker, Jeffrey M.","Scalable, chromatography-free synthesis of alkyl-tethered pyrene-based materials. Application to first-generation ""archipelago model"" asphaltene compounds.","The Journal of organic chemistry","2015","80","3","1719","1726","10.1021/jo502650m","","","1.54178","CuKα","","0.119","0.0719","","","0.1731","0.212","","","","","","1.021","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030583","6.9967","0.0003","8.5345","0.0005","9.7334","0.0006","110.752","0.005","94.833","0.004","106.902","0.005","508.51","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Guthrie, Daryl A.; Ho, Anthony; Takahashi, Cyrus G.; Collins, Anthony; Morris, Matthew; Toscano, John P.","""Catch-and-Release"" of HNO with Pyrazolones.","The Journal of organic chemistry","2015","80","3","1338","1348","10.1021/jo502330w","","","0.71073","MoKα","","0.0399","0.035","","","0.0976","0.1011","","","","","","1.059","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030584","17.043","0.0006","17.043","0.0006","11.1065","0.0009","90","","90","","90","","3226","0.3","293","2","293","2","","","","","","","","4","P 4/n","-P 4a","85","","","","- C18 H20 F2 O2 -","- C18 H20 F2 O2 -","- C144 H160 F16 O16 -","8","","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.1401","0.0829","","","0.1661","0.1952","","","","","","1.084","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030585","6.6313","0.001","10.6643","0.0017","21.166","0.003","90","","90.379","0.003","90","","1496.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C64 H56 F8 O12 S4 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.0936","0.0738","","","0.1598","0.1699","","","","","","1.16","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030586","9.5872","0.0006","19.0689","0.0013","9.796","0.0006","90","","97.789","0.002","90","","1774.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.087","0.0704","","","0.1603","0.1713","","","","","","1.146","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030587","8.5636","0.0008","9.5609","0.0009","10.2957","0.001","75.98","0.002","75.691","0.002","72.424","0.002","765.76","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.1235","0.0789","","","0.1705","0.196","","","","","","1.073","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030588","10.1133","0.0017","13.543","0.002","23.296","0.004","90","","90","","90","","3190.7","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Br N O4 S -","- C40 H32 Br N O4 S -","- C160 H128 Br4 N4 O16 S4 -","4","1","","Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts.","The Journal of organic chemistry","2015","80","3","1727","1734","10.1021/jo502668c","","","0.71075","MoKα","","0.0492","0.0391","","","0.0688","0.0727","","","","","","0.985","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030589","13.021","0.0013","13.5047","0.0014","22.336","0.002","95.904","0.009","103.415","0.006","92.267","0.004","3792.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Br N O6 S -","- C44 H40 Br N O6 S -","- C176 H160 Br4 N4 O24 S4 -","4","2","","Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts.","The Journal of organic chemistry","2015","80","3","1727","1734","10.1021/jo502668c","","","0.71075","MoKα","","0.0713","0.0518","","","0.1234","0.137","","","","","","1.055","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030590","6.9842","0.0003","8.328","0.0003","36.1818","0.0018","90","","90","","90","","2104.49","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N O8 P -","- C18 H28 N O8 P -","- C72 H112 N4 O32 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0709","0.0542","","","0.1321","0.1479","","","","","","1.047","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030591","10.158","0.005","6.593","0.005","13.228","0.005","90","0.004","98.716","0.005","90","0.005","875.7","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Br N O6 P -","- C15 H21 Br N O6 P -","- C30 H42 Br2 N2 O12 P2 -","2","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0657","0.0533","","","0.1002","0.1094","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030592","12.68","0.02","19.14","0.03","6.208","0.012","90","","90","","90","","1507","4","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 S -","- C17 H18 O6 S -","- C68 H72 O24 S4 -","4","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","0.71075","MoKα","","","0.0977","","","","0.2489","","","","","","1.08","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030593","8.1853","0.0003","8.4902","0.0002","10.5848","0.0003","94.6382","0.0017","108.843","0.0017","91.7329","0.0018","692.65","0.04","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","1","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","1.54187","CuKα","","0.0616","0.0551","","","0.1406","0.1633","","","","","","1.151","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030594","11.8115","0.0015","12.0852","0.0016","13.2004","0.0018","94.688","0.009","106.38","0.009","105.365","0.008","1718.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N2 O8 S -","- C34 H42 N2 O8 S -","- C68 H84 N4 O16 S2 -","2","1","","Aher, Ravindra D.; Kumar, B. Senthil; Sudalai, Arumugam","Proline-Catalyzed Sequential syn-Mannich and [4 + 1]-Annulation Cascade Reactions To Form Densely Functionalized Pyrrolidines.","The Journal of organic chemistry","2015","80","3","2024","2031","10.1021/jo5028886","","","0.71073","MoKα","","0.111","0.0898","","","0.1652","0.1743","","","","","","1.19","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030595","9.605","0.0003","9.8138","0.0003","13.498","0.0004","92.198","0.002","101.769","0.002","90.037","0.002","1244.63","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 Br N2 -","- C14 H11 Br N2 -","- C56 H44 Br4 N8 -","4","2","","Mahesh, Devulapally; Sadhu, Pradeep; Punniyamurthy, Tharmalingam","Copper(I)-Catalyzed Regioselective Amination of N-Aryl Imines Using TMSN3 and TBHP: A Route to Substituted Benzimidazoles.","The Journal of organic chemistry","2015","80","3","1644","1650","10.1021/jo502574u","","","0.71073","MoKα","","0.0772","0.0472","","","0.1486","0.1669","","","","","","1.096","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030596","8.795","0.002","8.642","0.002","17.912","0.005","90","","95.751","0.004","90","","1354.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Civit, Marc G.; Sanz, Xavier; Vogels, Christopher M.; Webb, Jonathan D.; Geier, Stephen J.; Decken, Andreas; Bo, Carles; Westcott, Stephen A.; Fernández, Elena","Thioboration of α,β-Unsaturated Ketones and Aldehydes toward the Synthesis of β-Sulfido Carbonyl Compounds.","The Journal of organic chemistry","2015","80","4","2148","2154","10.1021/jo5026354","","","0.71073","MoKα","","0.0774","0.068","","","0.1947","0.1984","","","","","","1.005","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030597","10.1519","0.0009","11.209","0.001","14.0068","0.0013","90","","97","0.001","90","","1582","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","2","","Zhou, Yirong; Yang, Qin; Shen, Jian; Chen, Xin; Peng, Yiyuan; Gong, Yuefa","Merging asymmetric Henry reaction with organocatalytic cascade reaction for the construction of a chiral indolizidine alkaloid skeleton.","The Journal of organic chemistry","2015","80","3","1446","1456","10.1021/jo502379v","","","0.71073","MoKα","","0.0708","0.0367","","","0.0657","0.0748","","","","","","0.911","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030598","7.349","0.002","7.076","0.002","19.278","0.006","90","","94.651","0.005","90","","999.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 Cl I N O -","- C9 H5 Cl I N O -","- C36 H20 Cl4 I4 N4 O4 -","4","1","","Chen, Wenwen; Zhang, Jianlan; Wang, Bo; Zhao, Zhouxing; Wang, Xinyan; Hu, Yuefei","Tandem Synthesis of 3-Chloro-4-iodoisoxazoles from 1-Copper(I) Alkynes, Dichloroformaldoxime, and Molecular Iodine.","The Journal of organic chemistry","2015","80","4","2413","2417","10.1021/jo502634h","","","0.71073","MoKα","","0.0293","0.0243","","","0.0844","0.1141","","","","","","1.07","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030599","8.7897","0.0004","9.3515","0.0005","27.8276","0.0012","90","","90","","90","","2287.34","0.19","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O2 S -","- C23 H35 N3 O2 S -","- C92 H140 N12 O8 S4 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.0441","0.038","","","0.0794","0.0821","","","","","","1.012","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030600","17.4169","0.0007","17.4169","0.0007","13.7581","0.0005","90","","90","","120","","3614.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 65","P 65","170","sy1ja686b","","","- C24 H35 N3 O2 -","- C24 H35 N3 O2 -","- C144 H210 N18 O12 -","6","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.71073","MoKα","","0.0522","0.0378","","","0.084","0.0898","","","","","","1.075","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030601","4.8715","0.0002","13.7364","0.0005","31.9079","0.001","90","","90","","90","","2135.18","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.076","0.0479","","","0.1058","0.1223","","","","","","1.035","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030602","15.08539","0.00016","22.7205","0.0002","12.63479","0.00012","90","","95.2052","0.0009","90","","4312.69","0.07","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C156 H180 N36 O48 -","12","3","","Guthrie, Daryl A.; Nourian, Saghar; Takahashi, Cyrus G.; Toscano, John P.","Curtailing the Hydroxylaminobarbituric Acid-Hydantoin Rearrangement To Favor HNO Generation.","The Journal of organic chemistry","2015","80","3","1349","1356","10.1021/jo5023316","","","1.54178","CuKα","","0.0503","0.0452","","","0.1284","0.1333","","","","","","1.057","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030611","7.235","0.0006","7.7188","0.0006","10.6228","0.0009","92.941","0.007","94.611","0.007","102.675","0.007","575.45","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F N2 O5 -","- C11 H13 F N2 O5 -","- C22 H26 F2 N4 O10 -","2","1","","Clarkson, Rob; Komsta, Zofia; Mayes, Benjamin A.; Moussa, Adel; Shelbourne, Montserrat; Stewart, Alistair; Tyrrell, Andrew J.; Wallis, Laura L.; Weymouth-Wilson, Alexander C","Synthesis of 2,3-Dideoxy-2-fluoro-2,3-endo-methylene- and 2,3-Dideoxy-2-fluoro-3-C-hydroxymethyl-2,3-endo-methylene-pentofuranoses and Their Use in the Preparation of Conformationally Locked Bicyclic Nucleosides.","The Journal of organic chemistry","2015","80","4","2198","2215","10.1021/jo502712g","","","1.54184","CuKα","","0.0529","0.0432","","0.1141","0.106","0.1141","","","","","","1.0099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030612","5.909","0.002","9.42","0.003","12.251","0.004","97.002","0.01","92.212","0.009","103.538","0.01","656.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Br N2 O2 -","- C11 H17 Br N2 O2 -","- C22 H34 Br2 N4 O4 -","2","1","","Huber, Tatjana; Kaiser, Daniel; Rickmeier, Jens; Magauer, Thomas","Experimental Studies on the Selective β-C-H Halogenation of Enones.","The Journal of organic chemistry","2015","80","4","2281","2294","10.1021/jo502809d","","","0.71073","MoKα","","0.1943","0.1051","","","0.2586","0.3029","","","","","","1.091","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030613","15.3129","0.0005","6.1061","0.0002","18.3965","0.0007","90","","97.713","0.004","90","","1704.55","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl2 N O -","- C21 H13 Cl2 N O -","- C84 H52 Cl8 N4 O4 -","4","1","","Song, Xian-Rong; Qiu, Yi-Feng; Song, Bo; Hao, Xin-Hua; Han, Ya-Ping; Gao, Pin; Liu, Xue-Yuan; Liang, Yong-Min","BF3·Et2O-Promoted Cleavage of the Csp-Csp2 Bond of 2-Propynolphenols/Anilines: Route to C2-Alkenylated Benzoxazoles and Benzimidazoles.","The Journal of organic chemistry","2015","80","4","2263","2271","10.1021/jo502761x","","","0.71073","MoKα","","0.1002","0.0526","","","0.0932","0.1157","","","","","","1.034","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030624","40.0502","0.001","23.755","0.0005","28.4445","0.0006","90","","129.97","0.0007","90","","20739.6","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H72 Cl4 Ir2 O2 P2 -","- C50 H72 Cl4 Ir2 O2 P2 -","- C800 H1152 Cl64 Ir32 O32 P32 -","16","2","","Nagata, Tomoya; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Correction to iridium-catalyzed annulative coupling of 2-arylbenzoyl chlorides with alkynes: selective formation of phenanthrene derivatives.","The Journal of organic chemistry","2014","79","24","12205","","10.1021/jo5022986","","","0.71073","MoKα","","0.0625","0.0411","","","0.0917","0.1008","","","","","","1.011","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030625","18.879","0.003","13.056","0.002","9.5076","0.0016","90","","93.811","0.011","90","","2338.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 Br2 N O3 -","- C28 H17 Br2 N O3 -","- C112 H68 Br8 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1706","0.0676","","","0.1589","0.224","","","","","","1.002","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030626","9.4896","0.001","14.785","0.0016","17.2235","0.0018","90","","93.408","0.003","90","","2412.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br N O4 -","- C29 H20 Br N O4 -","- C116 H80 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0859","0.0387","","","0.0959","0.1342","","","","","","1.027","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030627","15.7067","0.0019","16.039","0.002","17.011","0.002","90","","90","","90","","4285.4","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0788","0.0408","","","0.0812","0.0945","","","","","","1.001","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030628","16.2285","0.001","15.8298","0.0009","16.6687","0.0012","90","","90","","90","","4282.1","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1089","0.0466","","","0.0749","0.0894","","","","","","0.999","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030629","15.467","0.003","16.39","0.004","17.407","0.004","90","","90","","90","","4412.7","1.7","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0921","0.046","","","0.0847","0.1016","","","","","","1.041","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030630","16.2118","0.0008","16.0178","0.0007","16.699","0.0008","90","","90","","90","","4336.4","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0841","0.0425","","","0.0866","0.1007","","","","","","1.02","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030631","8.4535","0.0007","9.2384","0.0006","14.6945","0.0009","76.924","0.004","81.781","0.004","75.721","0.004","1078.68","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O5 -","- C27 H19 N O5 -","- C54 H38 N2 O10 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0611","0.0448","","","0.1034","0.1138","","","","","","1.035","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030632","8.4303","0.0011","9.4086","0.0013","14.632","0.002","80.941","0.005","85.672","0.005","76.665","0.004","1114.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O4 S -","- C27 H19 N O4 S -","- C54 H38 N2 O8 S2 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.062","0.0471","","","0.1139","0.1241","","","","","","1.051","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030633","15.4319","0.0006","17.3202","0.0007","7.7726","0.0003","90","","102.562","0.002","90","","2027.76","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Br F3 N O3 -","- C23 H13 Br F3 N O3 -","- C92 H52 Br4 F12 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0537","0.0318","","","0.0805","0.1084","","","","","","1.122","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030634","10.1637","0.0018","15.39","0.003","15.061","0.003","90","","107.319","0.002","90","","2249","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Br N O3 -","- C28 H18 Br N O3 -","- C112 H72 Br4 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0483","0.0322","","","0.0804","0.0972","","","","","","1.104","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030635","8.438","0.0013","18.194","0.002","14.098","0.002","90","","91.025","0.006","90","","2164","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C104 H64 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1406","0.0597","","","0.1028","0.1247","","","","","","1.002","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030636","7.3736","0.0003","11.2042","0.0005","13.9298","0.0005","92.092","0.003","104.25","0.003","100.314","0.003","1093.46","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C52 H44 Br2 N2 O6 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1355","0.0574","","","0.1407","0.2032","","","","","","0.99","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030637","8.5974","0.0009","19.016","0.0017","13.0707","0.0013","90","","90.944","0.007","90","","2136.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N O3 -","- C26 H22 Cl N O3 -","- C104 H88 Cl4 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1617","0.1496","","","0.4385","0.4433","","","","","","1.16","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030638","10.5165","0.0006","11.0302","0.0006","11.792","0.0006","83.822","0.003","67.724","0.003","72.66","0.003","1208.23","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C54 H48 Br2 N2 O8 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1175","0.0506","","","0.1336","0.1721","","","","","","1.005","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030639","15.167","0.006","7.776","0.003","20.869","0.008","90","","97.136","0.007","90","","2442.2","1.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C108 H96 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1615","0.0605","","","0.1293","0.1639","","","","","","1.009","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030640","9.6599","0.0004","11.2115","0.0005","11.2494","0.0005","82.924","0.002","82.893","0.002","67.717","0.002","1114.82","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C48 H40 Br2 N2 O6 S2 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0623","0.0513","","","0.1389","0.1449","","","","","","1.17","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030641","9.3495","0.0005","10.1654","0.0006","16.1135","0.0009","99.921","0.002","105.683","0.002","96.551","0.002","1431.4","0.14","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","2","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.1353","0.0605","","","0.114","0.1389","","","","","","1.02","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030642","10.8173","0.0005","10.915","0.0006","14.5641","0.0007","73.997","0.002","72.905","0.002","74.292","0.002","1545.89","0.14","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.0761","0.0514","","","0.1207","0.1432","","","","","","1.063","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030643","7.3806","0.0008","16.057","0.002","9.1541","0.001","90","","109.663","0.004","90","","1021.6","0.2","122","2","122","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.0925","0.0475","","","0.0944","0.1118","","","","","","1.029","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030647","15.5917","0.0002","6.83809","0.0001","14.0291","0.0002","90","","97.0284","","90","","1484.51","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 O4 S2 -","- C36 H30 O4 S2 -","- C72 H60 O8 S4 -","2","0.5","","Takeda, Takashi; Akutagawa, Tomoyuki","Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues.","The Journal of organic chemistry","2015","80","4","2455","2461","10.1021/acs.joc.5b00021","","","1.54187","CuKα","","","0.0489","","","","0.1415","","","","","","1.064","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030648","15.7337","0.0007","7.0498","0.0004","9.911","0.0005","90","","90","","90","","1099.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0822","0.0439","","","0.0819","0.0974","","","","","","1.017","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030649","14.4847","0.0004","14.2985","0.0004","16.2284","0.0005","90","","90","","90","","3361.06","0.17","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C136 H168 N24 O40 -","8","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0974","0.0485","","","0.1073","0.1337","","","","","","1.018","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030650","13.2661","0.0008","8.4355","0.0004","11.2895","0.0006","90","","110.075","0.003","90","","1186.61","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0901","0.0507","","","0.1062","0.1274","","","","","","1.033","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030651","13.9795","0.0004","8.4328","0.0002","14.2374","0.0004","90","","91.868","0.002","90","","1677.5","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0838","0.0484","","","0.1062","0.1234","","","","","","1.021","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030652","8.5834","0.0003","14.8435","0.0005","16.2877","0.0006","90","","99.823","0.001","90","","2044.76","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0616","0.0445","","","0.1121","0.1242","","","","","","1.031","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030653","10.4755","0.0004","14.1633","0.0006","10.9706","0.0004","90","","100.198","0.002","90","","1601.97","0.11","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0475","0.0363","","","0.0826","0.0886","","","","","","1.019","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030654","7.0209","0.0002","7.6049","0.0002","23.4143","0.0005","90","","90","","90","","1250.17","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C48 H48 Br4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.045","0.0322","","","0.0613","0.0645","","","","","","1.028","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030655","7.5869","0.0004","14.3161","0.0008","7.9651","0.0004","90","","117.226","0.002","90","","769.28","0.07","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C34 H28 N8 O8 -","2","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0669","0.0454","","","0.0919","0.1051","","","","","","1.037","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030669","6.6807","0.0005","7.3529","0.0006","17.0246","0.0013","90","","90","","90","","836.29","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Wagner, Alexander; Ofial, Armin R.","Potassium Thiocyanate as Source of Cyanide for the Oxidative α-Cyanation of Tertiary Amines.","The Journal of organic chemistry","2015","80","5","2848","2854","10.1021/jo502846c","","","0.71073","MoKα","","0.0353","0.031","","","0.074","0.0761","","","","","","1.09","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030670","8.171","0.008","8.979","0.008","11.675","0.011","95.56","0.03","95.62","0.03","101.11","0.03","830.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C36 H34 N6 O8 -","2","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.1948","0.088","","","0.2","0.2386","","","","","","0.935","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030671","7.595","0.0004","13.7694","0.0008","15.7113","0.0012","64.051","0.002","88.667","0.003","76.613","0.002","1431.54","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br Cl2 N3 O5 -","- C30 H24 Br Cl2 N3 O5 -","- C60 H48 Br2 Cl4 N6 O10 -","2","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.0664","0.0421","","","0.102","0.1105","","","","","","1.015","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030672","7.9707","0.0019","8.873","0.002","16.273","0.004","90","","90","","90","","1150.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.0817","0.0433","","","0.0793","0.0921","","","","","","1.006","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030673","8.7186","0.001","9.7432","0.0011","9.7497","0.0015","110.309","0.009","99.085","0.01","112.934","0.009","672.86","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 F N -","- C18 H16 F N -","- C36 H32 F2 N2 -","2","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0434","0.0356","","","0.0998","0.1027","","","","","","1.101","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030674","9.2639","0.0017","9.809","0.002","10.047","0.002","102.428","0.015","108.884","0.014","114.342","0.014","719.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Br N -","- C18 H16 Br N -","- C36 H32 Br2 N2 -","2","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0897","0.0581","","","0.136","0.1457","","","","","","1.009","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030675","9.666","0.003","9.8149","0.0018","15.315","0.003","90","","95.091","0.019","90","","1447.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N -","- C18 H16 Br N -","- C72 H64 Br4 N4 -","4","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0626","0.0528","","","0.1343","0.1378","","","","","","1.016","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030683","6.0225","0.0004","13.2389","0.0011","14.6415","0.0014","67.651","0.008","82.712","0.007","84.717","0.006","1069.75","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Br3 Cl3 O6 -","- C17 H14 Br3 Cl3 O6 -","- C34 H28 Br6 Cl6 O12 -","2","1","","Meng, Fan-Yi; Huang, Shou-Ling; Liu, Yi-Hung; Hu, Ziqiang; Lai, Guoqiao; Luh, Tien-Yau","Stereoselective Formation of Eight-Membered Rings by Radical Cyclization of Silylenedioxy-Tethered Bis-methacrylate Derivatives.","The Journal of organic chemistry","2015","80","5","2869","2873","10.1021/jo502947k","","","1.54178","CuKα","","0.0604","0.0487","","","0.1257","0.1347","","","","","","0.992","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030688","8.7841","0.0005","9.9078","0.0005","27.3053","0.0014","90","","90","","90","","2376.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O6 S -","- C21 H31 N O6 S -","- C84 H124 N4 O24 S4 -","4","1","","Wang, Huijing; Tang, Pei; Zhou, Qilong; Zhang, Dan; Chen, Zhitao; Huang, Hongxiu; Qin, Yong","One-pot synthesis of multisubstituted butyrolactonimidates: total synthesis of (-)-nephrosteranic Acid.","The Journal of organic chemistry","2015","80","5","2494","2502","10.1021/jo5029166","","","0.71073","MoKα","","0.1064","0.0608","","","0.1204","0.143","","","","","","1.015","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030689","4.01959","0.00008","13.20565","0.00016","27.5746","0.0004","90","","90","","90","","1463.7","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.","The Journal of organic chemistry","2015","80","5","2573","2581","10.1021/jo502619k","","x-ray","1.54184","CuKα","","0.0307","0.03","","","0.0812","0.0821","","","","","","1.054","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030690","19.0777","0.0003","6.19859","0.0001","19.4124","0.0003","90","","94.8297","0.0015","90","","2287.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 O2 -","- C29 H32 O2 -","- C116 H128 O8 -","4","1","","Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.","The Journal of organic chemistry","2015","80","5","2573","2581","10.1021/jo502619k","","x-ray","1.54184","CuKα","","0.0543","0.0471","","","0.1272","0.1366","","","","","","1.029","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030691","10.986","0.0009","11.1385","0.0009","14.9183","0.0012","110.909","0.003","105.303","0.003","98.68","0.003","1582.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H13 Br F3 N O2 S -","- C15 H13 Br F3 N O2 S -","- C60 H52 Br4 F12 N4 O8 S4 -","4","2","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0883","0.0735","","","0.1989","0.2046","","","","","","1.182","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030692","6.805","0.002","8.529","0.003","15.363","0.005","74.591","0.007","89.569","0.008","87.535","0.007","858.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Br F3 N O2 S -","- C16 H15 Br F3 N O2 S -","- C32 H30 Br2 F6 N2 O4 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0672","0.0584","","","0.1577","0.164","","","","","","1.06","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030693","15.2115","0.0011","7.396","0.0005","12.4873","0.0009","90","","91.302","0.002","90","","1404.51","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O2 S -","- C15 H12 F3 N O2 S -","- C60 H48 F12 N4 O8 S4 -","4","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0388","0.0362","","","0.0927","0.0948","","","","","","1.036","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030694","6.9579","0.0004","10.516","0.0006","10.5474","0.0006","65.766","0.002","80.838","0.002","77.224","0.002","684.28","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H13 Br F3 N O2 S -","- C12 H13 Br F3 N O2 S -","- C24 H26 Br2 F6 N2 O4 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0235","0.0221","","","0.058","0.0587","","","","","","1.069","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030695","8.112","0.003","10.284","0.004","11.166","0.004","82.569","0.006","72.55","0.006","70.601","0.006","837.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Br F3 N O3 S -","- C16 H15 Br F3 N O3 S -","- C32 H30 Br2 F6 N2 O6 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.026","0.0246","","","0.0653","0.066","","","","","","1.072","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030696","5.9416","0.0005","20.512","0.0016","12.1325","0.0009","90","","97.383","0.002","90","","1466.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br F3 N O4 S -","- C12 H13 Br F3 N O4 S -","- C48 H52 Br4 F12 N4 O16 S4 -","4","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0403","0.0327","","","0.0716","0.074","","","","","","1.108","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030697","5.7035","0.0002","7.8753","0.0003","45.6289","0.0015","90","","90","","90","","2049.5","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl O3 S -","- C22 H23 Cl O3 S -","- C88 H92 Cl4 O12 S4 -","4","1","","Borah, Madhurjya; Gogoi, Paramartha; Indukuri, Kiran; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Tetrahydrothiophenes and -thiopyrans via Thia-Prins Cyclization Reaction.","The Journal of organic chemistry","2015","80","5","2641","2648","10.1021/jo502831w","","","0.71073","MoKα","","0.0491","0.0422","","","0.0948","0.1028","","","","","","1.101","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030707","9.167","0.006","20.155","0.014","10.011","0.007","90","","105.418","0.016","90","","1783","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao","Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides.","The Journal of organic chemistry","2015","80","5","2842","2847","10.1021/jo502823m","","","0.71073","MoKα","","0.1175","0.0497","","","0.0974","0.1125","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030708","12.3418","0.0014","12.5826","0.0014","9.6895","0.0012","90","","106.033","0.002","90","","1446.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-tosyl-2,3,5,6,7,7a-hexahydro-1H-indole","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","","Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao","Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides.","The Journal of organic chemistry","2015","80","5","2842","2847","10.1021/jo502823m","","","0.71073","MoKα","","0.0578","0.0402","","","0.0881","0.0974","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030715","7.1052","0.0002","8.8559","0.0003","15.3747","0.0006","101.83","0.002","92.394","0.002","98.705","0.003","933.31","0.06","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Sharma, Mukesh K.; Banwell, Martin Gerhardt; Willis, Anthony Creswick","Chemoenzymatic Routes to Enantiomerically Enriched and Polyoxygenated Perhydro-3,5a-methanoindeno[4,5-c]furans Related to the Tashironin Class of Sesquiterpene.","The Journal of organic chemistry","2015","","","150224113214000","","10.1021/acs.joc.5b00303","","","0.71073","MoKα","","0.0729","0.0464","","0.1038","0.0953","0.1038","","","","","","0.9721","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030725","8.077","0.0005","10.5732","0.0008","26.8277","0.0018","90","","90","","90","","2291.1","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Ha, Min Woo; Lee, Myungmo; Choi, Sujee; Kim, Seek; Hong, Suckchang; Park, Yohan; Kim, Mi-Hyun; Kim, Taek-Soo; Lee, Jihoon; Lee, Jae Kyun; Park, Hyeung-Geun","Construction of Chiral α-Amino Quaternary Stereogenic Centers via Phase-Transfer Catalyzed Enantioselective α-Alkylation of α-Amidomalonates.","The Journal of organic chemistry","2015","80","6","3270","3279","10.1021/jo502791d","","","0.71075","MoKα","","","0.0447","","","","0.1297","","","","","","1.032","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030726","8.3004","0.0004","21.1079","0.0009","14.7263","0.0006","90","","90.917","0.003","90","","2579.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","4","","Wang, Weiguo; Peng, Xianglong; Qin, Xiaoyu; Zhao, Xiangyun; Ma, Chen; Tung, Chen-Ho; Xu, Zhenghu","Synthesis of Quinolinones with Palladium-Catalyzed Oxidative Annulation between Acrylamides and Arynes.","The Journal of organic chemistry","2015","80","5","2835","2841","10.1021/jo5027673","","","1.54184","CuKα","","0.1285","0.0976","","","0.2486","0.2936","","","","","","1.062","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030727","8.9484","0.0019","10.234","0.002","11.213","0.002","116.439","0.002","93.526","0.003","110.517","0.002","831.7","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N3 O4 -","- C16 H16 Cl N3 O4 -","- C32 H32 Cl2 N6 O8 -","2","1","","Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G.","Taming chlorine azide: access to 1,2-azidochlorides from alkenes.","The Journal of organic chemistry","2015","80","5","2740","2755","10.1021/acs.joc.5b00009","","","0.71073","MoKα","","0.1047","0.0618","","","0.1429","0.1714","","","","","","1.048","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030737","34.465","0.005","16.955","0.002","15.653","0.002","90","","103.019","0.002","90","","8912","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 B Br N -","- C24 H31 B Br N -","- C384 H496 B16 Br16 N16 -","16","4","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.0721","0.0551","","","0.1357","0.1449","","","","","","1.061","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030738","12.188","0.003","12.09","0.003","16.69","0.004","90","","95.644","0.005","90","","2447.4","1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 B N -","- C30 H36 B N -","- C120 H144 B4 N4 -","4","1","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.0525","0.0381","","","0.0953","0.1001","","","","","","0.985","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030739","10.199","0.002","10.769","0.002","12.368","0.003","98.32","0.03","106.48","0.03","111.72","0.03","1161.6","0.6","293.1","","293.1","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 B N O -","- C28 H28 B N O -","- C56 H56 B2 N2 O2 -","2","1","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.1558","0.0768","","","0.1571","0.1895","","","","","","1.022","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030748","13.839","0.006","11.892","0.005","7.497","0.003","90","","99.943","0.007","90","","1215.3","0.9","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 N O2 S2 -","- C11 H8 F3 N O2 S2 -","- C44 H32 F12 N4 O8 S8 -","4","1","","Shao, Xinxin; Xu, Chunfa; Lu, Long; Shen, Qilong","Structure-reactivity relationship of trifluoromethanesulfenates: discovery of an electrophilic trifluoromethylthiolating reagent.","The Journal of organic chemistry","2015","80","6","3012","3021","10.1021/jo502645m","","","0.71073","MoKα","","0.1069","0.0522","","","0.1197","0.1439","","","","","","0.926","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030749","9.5333","0.0007","11.1732","0.0008","17.3909","0.0012","90","","90","","90","","1852.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Que, Yonglei; Li, Tuanjie; Yu, Chenxia; Wang, Xiang-Shan; Yao, Changsheng","Enantioselective Assembly of Spirocyclic Oxindole-dihydropyranones through NHC-Catalyzed Cascade Reaction of Isatins with N-Hydroxybenzotriazole Esters of α,β-Unsaturated Carboxylic Acid.","The Journal of organic chemistry","2015","80","6","3289","3294","10.1021/jo502920w","","","1.54178","CuKα","","0.055","0.0443","","","0.1007","0.1097","","","","","","1.017","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030750","8.339","0.0002","17.6239","0.0005","20.3855","0.0005","90","","90","","90","","2995.97","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 N3 O6 -","- C33 H51 N3 O6 -","- C132 H204 N12 O24 -","4","1","","Peng, Lingling; Mo, Fanyang; Zhang, Qinghai","Cholate-based synthesis of size-tunable cage compounds.","The Journal of organic chemistry","2015","80","2","1221","1228","10.1021/jo5023734","","","1.54178","CuKα","","0.0343","0.0338","","","0.0883","0.0888","","","","","","1.05","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030751","10.873","0.003","11.858","0.003","20.376","0.005","90","","138.198","0.01","90","","1751.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems.","The Journal of organic chemistry","2015","80","4","2339","2355","10.1021/acs.joc.5b00025","","","0.71073","MoKα","","0.1135","0.0511","","","0.1183","0.1519","","","","","","0.896","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030752","13.196","0.002","8.3712","0.0014","16.808","0.003","90","","99.083","0.002","90","","1833.4","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems.","The Journal of organic chemistry","2015","80","4","2339","2355","10.1021/acs.joc.5b00025","","","0.71073","MoKα","","0.0993","0.0813","","","0.2587","0.2827","","","","","","1.069","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030753","13.9526","0.0006","5.4114","0.0002","16.5276","0.0006","90","","92.316","0.003","90","","1246.87","0.08","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C48 H48 Br8 O4 -","4","1","","Lin, Mei-Huey; Li, Yi-Syuan; Kuo, Chung-Kai; Chen, Chung-Hao; Huang, Yen-Chih; Liang, Kung-Yu; Chen, Yu-Chun; Tsai, Chang-Hsien; Chuang, Tsung-Hsun","Synthesis of Hexahydro-1H-isoindole Derivatives from Arylacyl Bromides via Homoallenic Bromohydrins.","The Journal of organic chemistry","2015","80","4","2462","2466","10.1021/acs.joc.5b00072","","","0.71073","MoKα","","0.0728","0.0372","","","0.0852","0.0967","","","","","","1.012","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030754","10.2831","0.0011","21.4073","0.0019","25.129","0.002","90","","90","","90","","5531.7","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C288 H192 N32 O32 -","16","2","","Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles.","The Journal of organic chemistry","2015","80","4","2384","2391","10.1021/acs.joc.5b00037","","","0.71075","MoKα","","","0.0856","","","","0.2145","","","","","","1.133","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030755","10.0009","0.0003","11.547","0.0003","13.2679","0.0004","89.9142","0.0016","70.0107","0.0013","72.5011","0.0013","1364.45","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 O4 S -","- C34 H30 O4 S -","- C68 H60 O8 S2 -","2","1","","Takeda, Takashi; Akutagawa, Tomoyuki","Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues.","The Journal of organic chemistry","2015","80","4","2455","2461","10.1021/acs.joc.5b00021","","","1.54187","CuKα","","","0.0638","","","","0.1673","","","","","","0.92","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030756","9.3644","0.0019","11.804","0.003","11.909","0.003","65.119","0.011","89.81","0.012","89.633","0.011","1194.2","0.5","","","100.02","","","","","","","","","5","P 1","P 1","1","","","","- C12 H15 Br N2 O -","- C12 H15 Br N2 O -","- C48 H60 Br4 N8 O4 -","4","4","","Fandrick, Keith R.; Mulder, Jason A.; Patel, Nitinchandra D.; Gao, Joe; Konrad, Michael; Archer, Elizabeth; Buono, Frederic G.; Duran, Adil; Schmid, Rolf; Daeubler, Juergen; Desrosiers, Jean-Nicolas; Zeng, Xingzhong; Rodriguez, Sonia; Ma, Shengli; Qu, Bo; Li, Zhibin; Fandrick, Daniel R.; Grinberg, Nelu; Lee, Heewon; Bosanac, Todd; Takahashi, Hidenori; Chen, Zhidong; Bartolozzi, Alessandra; Nemoto, Peter; Busacca, Carl A.; Song, Jinhua J.; Yee, Nathan K.; Mahaney, Paige E.; Senanayake, Chris H.","Development of an Asymmetric Synthesis of a Chiral Quaternary FLAP Inhibitor.","The Journal of organic chemistry","2015","80","3","1651","1660","10.1021/jo502550h","","","1.54178","CuKα","","0.0549","0.051","","","0.1356","0.1477","","","","","","1.0878","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030763","18.6833","0.0009","10.3132","0.0005","27.1247","0.0014","90","","94.236","0.003","90","","5212.2","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H13 Cl F12 O2 Si -","- C26 H12 F12 O2 Si -","- C208 H96 F96 O16 Si8 -","8","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","0.71073","MoKα","","0.0448","0.0383","","","0.1005","0.1041","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030764","9.3373","0.0002","20.6773","0.0004","12.0406","0.0003","90","","109.931","0.001","90","","2185.44","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F12 O2 Si -","- C20 H12 F12 O2 Si -","- C80 H48 F48 O8 Si4 -","4","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","1.54178","CuKα","","0.0347","0.0325","","","0.0894","0.0918","","","","","","1.024","","","","has coordinates,has disorder","178486","2020-10-21","18:00:00",""
"4030765","7.4888","0.0002","20.7278","0.0005","13.801","0.0003","90","","90.005","0.001","90","","2142.28","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F12 O2 Si -","- C20 H12 F12 O2 Si -","- C80 H48 F48 O8 Si4 -","4","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","1.54178","CuKα","","0.0409","0.0393","","","0.1039","0.1055","","","","","","1.038","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030766","9.7682","0.0002","12.0747","0.0002","12.4636","0.0003","76.595","0.001","87.118","0.001","78.923","0.001","1403.34","0.05","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 F26 Na2 O12 Si2 -","- C46 H40 F26 Na2 O12 Si2 -","- C46 H40 F26 Na2 O12 Si2 -","1","0.5","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","0.71073","MoKα","","0.0403","0.0341","","","0.1047","0.1183","","","","","","1.06","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4030767","7.6917","0.0009","11.1008","0.0016","14.3086","0.0019","90","","90","","90","","1221.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0581","0.0437","","","0.0959","0.1035","","","","","","1.024","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030768","8.1102","0.0014","5.2791","0.0009","13.309","0.002","90","","105.678","0.003","90","","548.62","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0448","0.0385","","","0.0976","0.1017","","","","","","1.026","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030769","10.6143","0.0001","29.5816","0.0004","13.6374","0.0002","90","","98.3194","0.0007","90","","4236.92","0.09","173","","173","2","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 O3 P2 Pd -","- C40 H76 O3 P2 Pd -","- C160 H304 O12 P8 Pd4 -","4","1","","Mutule, Ilga; Joo, Beomjun; Medne, Zane; Kalnins, Toms; Vedejs, Edwin; Suna, Edgars","Stereoselective synthesis of the diazonamide a macrocyclic core.","The Journal of organic chemistry","2015","80","6","3058","3066","10.1021/jo5029419","","","0.71073","MoKα","","0.097","0.064","","0.281","0.194","0.148","","","1.389","1.582","1.582","1.528","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030770","8.5221","0.0006","8.5221","0.0006","57.101","0.008","90","","90","","120","","3591.4","0.6","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C27 H22 Br N O6 -","- C27 H22 Br N O6 -","- C162 H132 Br6 N6 O36 -","6","1","","Peris, Gorka; Vedejs, Edwin","Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a.","The Journal of organic chemistry","2015","80","6","3050","3057","10.1021/jo502939a","","","0.71073","MoKα","","0.046","0.0345","","","0.072","0.0757","","","","","","1.049","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030771","25.7647","0.0019","7.9823","0.0005","15.4643","0.001","90","","117.091","0.004","90","","2831.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F3 N4 O2 -","- C15 H9 F3 N4 O2 -","- C120 H72 F24 N32 O16 -","8","1","","Yamajala, K. Durga Bhaskar; Patil, Mahendra; Banerjee, Shaibal","Pd-catalyzed regioselective arylation on the C-5 position of N-aryl 1,2,3-triazoles.","The Journal of organic chemistry","2015","80","6","3003","3011","10.1021/jo5026145","","","0.71073","MoKα","","0.069","0.0449","","","0.1328","0.152","","","","","","1.076","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030777","10.7344","0.0008","15.1368","0.0011","12.8068","0.001","90","","102.089","0.005","90","","2034.8","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br2 O3 S -","- C20 H20 Br2 O3 S -","- C80 H80 Br8 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0897","0.0404","","","0.0883","0.1061","","","","","","0.993","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030778","10.7739","0.0006","12.4913","0.0008","13.7969","0.0008","90","","105.516","0.003","90","","1789.12","0.19","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br O2 S -","- C20 H17 Br O2 S -","- C80 H68 Br4 O8 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0543","0.0376","","","0.097","0.105","","","","","","1.056","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030779","11.8651","0.0008","17.8961","0.0012","8.7169","0.0005","90","","103.874","0.003","90","","1796.9","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl2 O2 S -","- C19 H16 Cl2 O2 S -","- C76 H64 Cl8 O8 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0534","0.04","","","0.101","0.112","","","","","","1.023","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030780","11.1799","0.0015","11.3455","0.0014","14.897","0.002","90","","90","","90","","1889.6","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0367","0.0286","","","0.0626","0.0785","","","","","","1.175","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030781","11.6199","0.0011","18.4852","0.0015","10.268","0.001","90","","102.098","0.005","90","","2156.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.1094","0.0499","","","0.1375","0.1692","","","","","","0.952","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030782","11.1601","0.0007","11.3394","0.0007","14.8359","0.001","90","","90","","90","","1877.5","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0473","0.0389","","","0.084","0.0876","","","","","","1.029","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030783","25.0058","0.0012","13.0551","0.0006","12.6318","0.0005","90","","90","","90","","4123.7","0.3","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C168 H168 Br8 O24 S8 -","8","2","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.1661","0.0452","","","0.0652","0.0867","","","","","","0.934","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030784","7.9027","0.0006","8.5524","0.0007","28.369","0.002","90","","96.068","0.005","90","","1906.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br O3 S -","- C20 H21 Br O3 S -","- C80 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0899","0.0585","","","0.1217","0.1318","","","","","","1.077","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030799","27.793","0.002","9.7527","0.0004","27.915","0.002","90","","120.11","0.01","90","","6545.5","1","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H46 N6 O4 -","- C32 H46 N6 O4 -","- C256 H368 N48 O32 -","8","2","","Moussodia, Ralph-Olivier; Acherar, Samir; Romero, Eugénie; Didierjean, Claude; Jamart-Grégoire, Brigitte","Evidence of Nanotubular Self-Organization in Solution and Solid States of Heterochiral Cyclo 1:1 [α/α-N(α)-Bn-hydrazino]mers Series.","The Journal of organic chemistry","2015","80","6","3022","3029","10.1021/jo502684g","","x-ray","0.71073","MoKα","","0.1338","0.1132","","","0.2899","0.3126","","","","","","1.31","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030800","17.6227","0.0003","11.7212","0.0002","16.611","0.0002","90","","116.651","0.001","90","","3066.61","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C136 H128 N16 O8 S8 -","8","2","","Andreoli, Federico; Kaid-Slimane, Radia; Coppola, Fabien; Farran, Daniel; Roussel, Christian; Vanthuyne, Nicolas","Access to N-thioalkenyl and N-(o-thio)aryl-Benzimidazol-2-ones by Ring Opening of Thiazolobenzimidazolium and Benzimidazobenzothiazolium Salts and C-O Bond Cleavage of an Alkoxide.","The Journal of organic chemistry","2015","","","150311084704007","","10.1021/acs.joc.5b00221","","x-ray","0.71073","MoKα","","0.0832","0.0495","","","0.1195","0.1419","","","","","","1.021","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030818","9.402","0.003","15.737","0.003","10.672","0.003","90","","99.933","0.011","90","","1555.4","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,7aS*)-1-benzhydryl-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Kise, Naoki; Sakurai, Toshihiko","Intermolecular Reductive Coupling of Esters with Benzophenones by Low-valent Titanium: Synthesis of Diarylmethyl ketones Revisited.","The Journal of organic chemistry","2015","","","150317073852008","","10.1021/acs.joc.5b00102","","","0.71075","MoKα","","0.0705","0.0617","","","0.1601","0.1763","","","","","","1.076","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030825","11.6028","0.0002","13.7155","0.0002","15.4868","0.0003","74.898","0.001","72.606","0.001","70.883","0.001","2185.69","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H57 N O12 -","- C49 H57 N O12 -","- C98 H114 N2 O24 -","2","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0392","0.0385","","","0.0997","0.1006","","","","","","1.016","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030826","8.7786","0.0003","13.1685","0.0004","23.0265","0.0007","78.201","0.002","88.483","0.002","81.806","0.002","2579.03","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0731","0.0525","","","0.1415","0.1594","","","","","","1.036","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030827","8.5228","0.0002","33.0695","0.0008","11.6141","0.0003","90","","108.023","0.003","90","","3112.76","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.5418","CuKα","","0.0864","0.079","","","0.1994","0.2032","","","","","","1.164","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030828","15.068","0.0004","23.3472","0.0006","24.7931","0.0006","90","","90","","90","","8722.1","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92.54 H120.54 Cl1.63 O16 -","- C92.543 H120.543 Cl1.629 O16 -","- C370.172 H482.172 Cl6.516 O64 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.1139","0.1021","","","0.2677","0.2767","","","","","","1.03","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030829","8.7216","0.0001","22.4584","0.0004","15.5439","0.0003","90","","100.141","0.001","90","","2997.07","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0362","0.0359","","","0.0873","0.0876","","","","","","1.076","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030830","25.712","0.005","23.741","0.005","16.888","0.003","90","","90","0.03","90","","10309","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 O8 -","- C56 H76 O8 -","- C448 H608 O64 -","8","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.1268","0.1173","","","0.3285","0.3341","","","","","","1.09","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030837","20.529","0.018","6.669","0.006","12.889","0.011","90","","95.761","0.013","90","","1756","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.1072","0.0407","","","0.0661","0.0744","","","","","","0.778","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030838","6.485","0.0012","11.608","0.002","35.604","0.007","90","","92.732","0.004","90","","2677.1","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H38 O4 S Si -","- C25 H38 O4 S Si -","- C100 H152 O16 S4 Si4 -","4","2","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.4334","0.0868","","","0.1273","0.1846","","","","","","0.67","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030839","7.857","0.0016","11.876","0.003","13.396","0.003","70.095","0.004","77.111","0.004","79.851","0.004","1138.8","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si -","- C19 H33 N O2 S Si -","- C38 H66 N2 O4 S2 Si2 -","2","2","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.1223","0.0437","","","0.0791","0.092","","","","","","0.744","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030848","6.071","0.003","18.734","0.007","7.024","0.003","90","","98.101","0.014","90","","790.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","1.54178","CuKα","","0.0357","0.0348","","","0.0951","0.0956","","","","","","1.081","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030849","6.6036","0.0008","19.939","0.003","6.6798","0.0008","90","","110.291","0.009","90","","824.94","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","0.71073","MoKα","","0.0326","0.0293","","","0.0768","0.0791","","","","","","1.056","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030877","5.83","0.005","8.288","0.008","16.725","0.016","90","","92.845","0.009","90","","807.1","1.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Wei, Ai-Jia; Nie, Jing; Zheng, Yan; Ma, Jun-An","Ni-Catalyzed Highly Chemo-, Regio-, and Enantioselective Decarboxylative Aldol Reaction of β,γ-Unsaturated α-Ketoesters with β-Ketoacids.","The Journal of organic chemistry","2015","80","8","3766","3776","10.1021/jo502741z","","","0.71073","MoKα","","0.0683","0.0442","","","0.0989","0.108","","","","","","0.846","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030891","5.082","0.012","9.83","0.02","18","0.04","90","","94.98","0.05","90","","896","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C40 H36 Br2 N2 O4 -","2","1","","Huang, You-Ming; Zheng, Chang-Wu; Zhao, Gang","Asymmetric Robinson-Type Annulation Reaction between β-Ketoamides and α,β-Unsaturated Ketones.","The Journal of organic chemistry","2015","80","8","3798","3805","10.1021/jo502904n","","","0.71073","MoKα","","0.1139","0.0839","","","0.2333","0.2551","","","","","","1.1","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030892","3.882","0.005","12.069","0.014","12.451","0.016","106.586","0.014","94.219","0.019","90.27","0.02","557.4","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O -","- C15 H11 N O -","- C30 H22 N2 O2 -","2","1","","Mayo, Muhammad Shareef; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Isoquinolone Synthesis through SNAr Reaction of 2-Halobenzonitriles with Ketones Followed by Cyclization.","The Journal of organic chemistry","2015","80","8","3998","4002","10.1021/acs.joc.5b00357","","","0.71073","MoKα","","0.1549","0.1247","","","0.3586","0.3851","","","","","","1.063","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030917","10.3476","0.0016","21.312","0.003","9.2867","0.0015","90","","90","","90","","2048","0.5","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)-Catalyzed Oxidative Annulation of 2-Phenylimidazo[1,2-a]pyridines with Alkynes: Mono versus Double C-H Activation.","The Journal of organic chemistry","2015","80","7","3471","","10.1021/acs.joc.5b00059","","","0.71073","MoKα","","0.1068","0.0543","","","0.0922","0.1097","","","","","","0.973","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030918","8.72","0.003","23.945","0.008","8.704","0.003","90","","112.823","0.005","90","","1675.1","1","252","","252","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O4 -","- C16 H16 Cl N3 O4 -","- C64 H64 Cl4 N12 O16 -","4","1","","Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G.","Taming chlorine azide: access to 1,2-azidochlorides from alkenes.","The Journal of organic chemistry","2015","80","5","2740","2755","10.1021/acs.joc.5b00009","","","0.71073","MoKα","","0.0868","0.078","","","0.2064","0.2117","","","","","","1.152","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030927","8.9655","0.0006","6.4598","0.0004","12.7951","0.0008","90","","102.099","0.003","90","","724.57","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O7 -","- C14 H18 O7 -","- C28 H36 O14 -","2","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0331","0.0329","","","0.0888","0.089","","","","","","1.067","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030928","10.5288","0.0003","11.2256","0.0003","14.5218","0.0003","87.88","0.002","68.77","0.002","76.367","0.002","1552.59","0.07","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O7 -","- C15 H20 O7 -","- C60 H80 O28 -","4","4","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0862","0.0777","","","0.2228","0.2377","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030929","9.5965","0.0009","10.3616","0.0009","22.821","0.002","90","","90","","90","","2269.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C104 H88 O24 S4 -","4","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0278","0.0258","","","0.0639","0.0657","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030930","9.0936","0.0002","7.4943","0.0001","11.9251","0.0002","90","","95.444","0.001","90","","809.03","0.02","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C46 H32 O2 -","2","1","","Srinivas, Harathi D.; Maity, Prantik; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective Copper-Catalyzed Alkynylation of Benzopyranyl Oxocarbenium Ions","The Journal of Organic Chemistry","2015","","","150407082540000","","10.1021/acs.joc.5b00364","","","1.54178","CuKα","","0.0264","0.0259","","","0.0672","0.0676","","","","","","1.039","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030931","11.7748","0.0008","5.8863","0.0003","17.0638","0.001","90","","110.044","0.007","90","","1111.06","0.12","294.29","0.1","294.29","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Tian, Tian; Li, Liqi; Xue, Jijun; Zhang, Jie; Li, Ying","Enantioselective Syntheses of Spiroketals via a Tandem Reaction of Cu(I) -Catalyzed Cycloetherification and H-Bond-induced [4 + 2] Cyclization.","The Journal of organic chemistry","2015","","","150407100357003","","10.1021/acs.joc.5b00384","","","0.71073","MoKα","","0.0623","0.038","","","0.0746","0.083","","","","","","1.02","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030932","11.5731","0.0004","20.5327","0.0008","38.4094","0.0014","90","","90","","90","","9127.1","0.6","297.1","0.4","297.1","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C448 H392 O84 -","28","7","","Tian, Tian; Li, Liqi; Xue, Jijun; Zhang, Jie; Li, Ying","Enantioselective Syntheses of Spiroketals via a Tandem Reaction of Cu(I) -Catalyzed Cycloetherification and H-Bond-induced [4 + 2] Cyclization.","The Journal of organic chemistry","2015","","","150407100357003","","10.1021/acs.joc.5b00384","","","0.7107","MoKα","","0.1155","0.0624","","","0.1025","0.1285","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030933","18.2934","0.0018","8.0986","0.0008","15.5225","0.0015","90","","108.665","0.002","90","","2178.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N O2 P -","- C26 H28 N O2 P -","- C104 H112 N4 O8 P4 -","4","1","","Han, Lei; Lei, Yang; Xing, Ping; Zhao, Xiao-Long; Jiang, Biao","[2.2]paracyclophane-derived monodentate phosphoramidite ligands for copper-catalyzed asymmetric conjugate addition of diethylzinc to substituted chalcones.","The Journal of organic chemistry","2015","80","8","3752","3757","10.1021/jo502715f","","","0.71073","MoKα","","0.0774","0.0524","","","0.1377","0.1496","","","","","","1.017","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030942","5.5812","0.0007","47.12","0.006","9.2435","0.0011","90","","103.343","0.003","90","","2365.3","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Rananaware, Anushri; Bhosale, Rajesh S.; Ohkubo, Kei; Patil, Hemlata; Jones, Lathe A.; Jackson, Sam L.; Fukuzumi, Shunichi; Bhosale, Sidhanath V.; Bhosale, Sheshanath V.","Tetraphenylethene-Based Star Shaped Porphyrins: Synthesis, Self-assembly, and Optical and Photophysical Study.","The Journal of organic chemistry","2015","80","8","3832","3840","10.1021/jo502760e","","","0.71073","MoKα","","0.0972","0.0659","","","0.1531","0.1684","","","","","","1.028","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030943","11.6944","0.0018","10.2243","0.0016","16.901","0.003","90","","96.579","0.004","90","","2007.5","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 N2 O8 -","- C48 H36 N2 O8 -","- C96 H72 N4 O16 -","2","0.5","","Chowdhury, Aniket; Mukherjee, Partha Sarathi","Electron-rich triphenylamine-based sensors for picric Acid detection.","The Journal of organic chemistry","2015","80","8","4064","4075","10.1021/acs.joc.5b00348","","","0.71073","MoKα","","0.081","0.0483","","","0.1282","0.1419","","","","","","1.06","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4030953","9.517","0.003","21.237","0.008","11.104","0.004","90","","104.868","0.009","90","","2169.1","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O4 -","- C29 H18 O4 -","- C116 H72 O16 -","4","1","","Shirke, Rajendra P.; Ramasastry, S. S. V.","Modular assembly of furotropones and benzofurotropones, and study of their physicochemical properties.","The Journal of organic chemistry","2015","80","10","4893","4903","10.1021/acs.joc.5b00226","","","0.71073","MoKα","","0.1766","0.0632","","","0.1323","0.1823","","","","","","0.914","","","","has coordinates","138270","2020-10-21","18:00:00",""
"4030954","12.68993","0.00011","9.69273","0.00008","15.41784","0.00012","90","","100.547","0.0008","90","","1864.35","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O3 Si -","- C20 H20 N2 O3 Si -","- C80 H80 N8 O12 Si4 -","4","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","1.54184","CuKα","","0.0325","0.0316","","","0.0801","0.0809","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030955","6.6005","0.0003","10.33","0.0003","15.2977","0.0005","96.372","0.003","95.057","0.003","98.899","0.003","1018.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O4 Si -","- C21 H22 N2 O4 Si -","- C42 H44 N4 O8 Si2 -","2","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","1.54184","CuKα","","0.0524","0.0444","","","0.1026","0.1061","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030956","10.7185","0.001","16.4457","0.0017","21.179","0.002","90","","90","","90","","3733.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 Si -","- C19 H20 N2 O4 Si -","- C152 H160 N16 O32 Si8 -","8","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","0.7107","MoKα","","0.0575","0.0419","","","0.0899","0.0961","","","","","","1.032","","","","has coordinates","138282","2020-10-21","18:00:00",""
"4030957","6.286","0.0012","7.3672","0.0015","28.272","0.006","90","","92.047","0.013","90","","1308.4","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 Br2 O6 -","- C29 H28 Br2 O6 -","- C58 H56 Br4 O12 -","2","1","","Wang, Bian-Lin; Gao, Hai-Tao; Li, Wei-Dong Z","Total synthesis of (+)-iresin.","The Journal of organic chemistry","2015","80","10","5296","5301","10.1021/acs.joc.5b00365","","","0.71075","MoKα","","0.074","0.053","","","0.1339","0.1477","","","","","","0.84","","","","has coordinates","138271","2020-10-21","18:00:00",""
"4030958","7.2875","0.0003","10.6142","0.0004","14.7414","0.0006","90","","91.936","0.004","90","","1139.61","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Deka, Manash J.; Indukuri, Kiran; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Synthesis of Five-, Six-, and Seven-Membered 1,3- and 1,4-Heterocyclic Compounds via Intramolecular Hydroalkoxylation/Hydrothioalkoxylation of Alkenols/Thioalkenols.","The Journal of organic chemistry","2015","80","9","4349","4359","10.1021/acs.joc.5b00049","","","0.71073","MoKα","","0.0463","0.0386","","","0.0807","0.0851","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030959","11.7891","0.0001","17.3916","0.0002","17.8781","0.0003","74.6642","0.0006","74.5511","0.0006","87.2285","0.0008","3406.36","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Br2 Cl6 O8 -","- C48 H32 Br2 Cl6 O8 -","- C144 H96 Br6 Cl18 O24 -","3","1.5","","Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers.","The Journal of organic chemistry","2015","80","11","5687","5695","10.1021/acs.joc.5b00645","","","0.71","MoKα","","0.1322","0.0991","","","0.2467","0.2734","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030960","8.3918","0.0002","9.3294","0.0003","12.1587","0.0003","70.646","0.002","82.2385","0.0012","72.7588","0.0012","857.04","0.04","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","6-Bromo-5-methoxy-13a-methyl-8H-dibenzo[b,h]xanthene-8,13(13aH)-dione","","- C23 H15 Br O4 -","- C23 H15 Br O4 -","- C46 H30 Br2 O8 -","2","1","","Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers.","The Journal of organic chemistry","2015","80","11","5687","5695","10.1021/acs.joc.5b00645","","","0.71075","MoKα","","0.0348","0.034","","","0.0797","0.0802","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030961","7.8772","0.0016","9.0475","0.0018","26.626","0.005","90","","90","","90","","1897.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O4 -","- C21 H16 Br N O4 -","- C84 H64 Br4 N4 O16 -","4","1","","Hu, Zhi-Peng; Zhuang, Zhe; Liao, Wei-Wei","Asymmetric Synthesis of Dihydronaphthoquinones Containing Adjacent Stereocenters via a Sulfa-Michael Addition Triggered Ring-Expansion Approach.","The Journal of organic chemistry","2015","80","9","4627","4637","10.1021/acs.joc.5b00502","","","0.71073","MoKα","","0.1059","0.0518","","","0.1131","0.1354","","","","","","0.939","","","","has coordinates,has disorder","138284","2020-10-21","18:00:00",""
"4030962","7.6245","0.0009","10.3617","0.0012","11.7154","0.0014","92.793","0.0016","106.432","0.0014","93.7434","0.0016","883.67","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br Cl N O3 -","- C19 H17 Br Cl N O3 -","- C38 H34 Br2 Cl2 N2 O6 -","2","1","","Damera, Krishna; Yu, Bingchen; Wang, Binghe","Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization.","The Journal of organic chemistry","2015","80","11","5457","5463","10.1021/acs.joc.5b00249","","","0.71073","MoKα","","0.0736","0.0496","","","0.1132","0.1238","","","","","","1.015","","","","has coordinates","152868","2020-10-21","18:00:00",""
"4030963","7.737","0.002","10.668","0.003","11.524","0.003","95.567","0.004","108.801","0.004","95.3","0.004","888.4","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C40 H40 Br2 N2 O8 -","2","1","","Damera, Krishna; Yu, Bingchen; Wang, Binghe","Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization.","The Journal of organic chemistry","2015","80","11","5457","5463","10.1021/acs.joc.5b00249","","","0.71073","MoKα","","0.059","0.044","","","0.1029","0.1097","","","","","","1.059","","","","has coordinates","152868","2020-10-21","18:00:00",""
"4030964","8.88","0.0016","10.855","0.003","16.771","0.003","90","","90","","90","","1616.6","0.6","293","","296.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N S -","- C20 H18 N S -","- C80 H72 N4 S4 -","4","1","","Jha, Mukund; Shelke, Ganesh M.; Cameron, T. Stanley; Kumar, Anil","Access to Substituted Dihydrothiopyrano[2,3-b]indoles via Sequential Rearrangements During S-Alkylation and Au-Catalyzed Hydroarylation on Indoline-2-thiones.","The Journal of organic chemistry","2015","80","10","5272","5278","10.1021/jo5025943","","","0.71075","MoKα","","","0.0764","","","","0.0822","","","","","","1.168","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030965","10.9511","0.0005","7.0532","0.0003","18.2429","0.0009","90","","94.658","0.005","90","","1404.43","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O4 -","- C16 H14 N O4 -","- C64 H56 N4 O16 -","4","1","","Murthy, Akondi Srirama; Donikela, Sangeetha; Reddy, Cirandur Suresh; Chegondi, Rambabu","Palladium-catalyzed regioselective domino cyclization of cyclohexadienones.","The Journal of organic chemistry","2015","80","11","5566","5571","10.1021/acs.joc.5b00493","","","0.71073","MoKα","","0.1256","0.0867","","","0.2326","0.3051","","","","","","1.186","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030966","32.74","0.005","14.888","0.002","38.686","0.005","90","","99.017","0.011","90","","18624","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,10-Dioxa-4^4,6^4,8^4-tri-tert-butyl-4^1,6^1,8^1-trimethoxy-1(1,4)-anthraquinona-4,6,8(2,6)-tribenzenacyclodecaphane","","","- C107 H119 Cl3 N2 O14 -","- C107 H119 Cl3 N2 O14 -","- C856 H952 Cl24 N16 O112 -","8","1","","Bürger, M; Katzsch, F.; Brendler, E.; Gruber, T.","Synthesis of macrocyclic receptors with intrinsic fluorescence featuring quinizarin moieties.","The Journal of organic chemistry","2015","80","10","4882","4892","10.1021/acs.joc.5b00223","","","0.71073","MoKα","","0.0497","0.0438","","","0.1","0.1028","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030967","10.6542","0.0008","23.6126","0.0017","9.1002","0.0006","90","","109.129","0.001","90","","2163","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-acetyl-4-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazol-1-yl)acetate","","- C21 H18 N4 O7 -","- C21 H18 N4 O7 -","- C84 H72 N16 O28 -","4","1","","Kamal, Ahmed; Sastry, K. N. Visweswara; Chandrasekhar, D.; Mani, Geeta Sai; Adiyala, Praveen Reddy; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Maurya, Ram Awatar","One-pot, three-component approach to the synthesis of 3,4,5-trisubstituted pyrazoles.","The Journal of organic chemistry","2015","80","9","4325","4335","10.1021/jo502946g","","","0.71073","MoKα","","0.0869","0.0692","","","0.1719","0.1852","","","","","","1.134","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030968","22.0146","0.0015","6.9363","0.0003","24.0365","0.0015","90","","95.483","0.006","90","","3653.6","0.4","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0824","0.0499","","","0.1161","0.1368","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030969","6.648","0.002","7.314","0.003","20.372","0.007","85.053","0.005","86.533","0.004","70.707","0.004","930.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C44 H38 N2 O8 -","2","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0967","0.0559","","","0.0934","0.1091","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030970","6.8676","0.0004","19.5592","0.001","13.2959","0.001","90","","102.771","0.006","90","","1741.79","0.19","293","2","293","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C21 H16 O5 -","- C21 H16 O5 -","- C84 H64 O20 -","4","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0489","0.0398","","","0.1007","0.1082","","","","","","1.025","","","","has coordinates","138286","2020-10-21","18:00:00",""
"4030971","10.659","0.002","8.0066","0.0016","14.918","0.003","90","","103.12","0.03","90","","1239.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 B F4 N2 O4 -","- C24 H27 B F4 N2 O4 -","- C48 H54 B2 F8 N4 O8 -","2","1","","Pellegrino, Sara; Bonetti, Andrea; Clerici, Francesca; Contini, Alessandro; Moretto, Alessandro; Soave, Raffaella; Gelmi, Maria Luisa","1H-Azepine-2-oxo-5-amino-5-carboxylic Acid: A 310 Helix Inducer and an Effective Tool for Functionalized Gold Nanoparticles.","The Journal of organic chemistry","2015","80","11","5507","5516","10.1021/acs.joc.5b00396","","","0.71073","MoKα","","0.1381","0.0844","","","0.2312","0.2712","","","","","","1.015","","","","has coordinates,has disorder","141370","2020-10-21","18:00:00",""
"4030972","8.1555","0.0009","14.7517","0.0016","11.9062","0.0013","90","","98.459","0.003","90","","1416.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(N,N-Diethylamino)pyrene","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.0416","0.0368","","","0.1025","0.1069","","","","","","1.059","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030973","4.5911","0.0016","15.185","0.005","15.531","0.005","90","","93.104","0.009","90","","1081.2","0.6","102","","102","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyanopyrene","","- C17 H9 N -","- C17 H9 N -","- C68 H36 N4 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.0647","0.0398","","","0.0992","0.1128","","","","","","1.039","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030974","8.6919","0.0007","7.6012","0.0006","23.777","0.002","90","","91.495","0.002","90","","1570.4","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyano-7-(N,N-diethylamino)pyrene","","- C21 H18 N2 -","- C21 H18 N2 -","- C84 H72 N8 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.052","0.038","","","0.1014","0.1111","","","","","","1.041","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030975","8.893","0.0003","25.5926","0.0008","14.1377","0.0004","90","","90.01","","90","","3217.67","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N3 O8 -","- C35 H35 N3 O8 -","- C140 H140 N12 O32 -","4","2","","Dai, Wei; Jiang, Xiao-Li; Wu, Qiong; Shi, Feng; Tu, Shu-Jiang","Diastereo- and Enantioselective Construction of 3,3'-Pyrrolidinyldispirooxindole Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions.","The Journal of organic chemistry","2015","80","11","5737","5744","10.1021/acs.joc.5b00708","","","1.54178","CuKα","","0.0836","0.0799","","","0.1989","0.2048","","","","","","1.064","","","","has coordinates","140165","2020-10-21","18:00:00",""
"4030976","12.2059","0.0005","6.2367","0.0002","13.0601","0.0005","90","","108.288","0.001","90","","943.98","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C50 H38 O4 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71073","MoKα","","0.0357","0.0311","","","0.0728","0.0741","","","","","","1.341","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030977","12.0467","0.0006","6.5161","0.0003","12.2531","0.0005","90","","117.784","0.002","90","","850.95","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H14 N O P -","- C21 H14 N O P -","- C42 H28 N2 O2 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71075","MoKα","","0.063","0.0446","","","0.0866","0.0956","","","","","","1.197","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030978","7.8592","0.0003","15.6109","0.0005","9.489","0.0006","90","","90.895","0.006","90","","1164.06","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 I N S -","- C13 H8 I N S -","- C52 H32 I4 N4 S4 -","4","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.034","0.031","","0.0844","0.0826","0.0844","","","","","","0.9994","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030979","7.4374","0.0006","8.7655","0.0008","9.8437","0.0009","113.251","0.008","92.4","0.007","111.062","0.008","537.44","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C24 H16 I2 N6 -","2","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.0519","0.0438","","0.1225","0.1084","0.1225","","","","","","0.9344","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030980","10.2961","0.0003","10.9654","0.0003","11.4803","0.0008","107.119","0.008","105.292","0.007","104.881","0.007","1113.45","0.14","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H9 Cl3 F6 I N O4 S2 -","- C15 H9 Cl3 F6 I N O4 S2 -","- C30 H18 Cl6 F12 I2 N2 O8 S4 -","2","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71073","MoKα","","0.0795","0.0716","","0.1959","0.1889","0.1959","","","","","","0.9144","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030981","11.8176","0.0002","20.2033","0.0004","14.6196","0.001","90","","93.472","0.007","90","","3484.1","0.3","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F6 I N O4 S2 -","- C14 H8 F6 I N O4 S2 -","- C112 H64 F48 I8 N8 O32 S16 -","8","2","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.0391","0.0342","","0.0913","0.0887","0.0913","","","","","","0.9778","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030982","9.37265","0.00013","9.64096","0.00014","17.4564","0.0002","90","","90","","90","","1577.38","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0347","0.0337","","","0.0863","0.0876","","","","","","1.052","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030983","10.8866","0.00016","14.8755","0.0002","10.23202","0.00014","90","","90","","90","","1657.01","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0337","0.0323","","","0.0848","0.0865","","","","","","1.024","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030984","15.74885","0.00018","15.74885","0.00018","11.05787","0.00017","90","","90","","120","","2375.2","0.05","120","0.1","120","0.1","","","","","","","","5","P 61","P 61","169","","","","- C14 H17 F3 N2 O2 -","- C14 H17 F3 N2 O2 -","- C84 H102 F18 N12 O12 -","6","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0816","0.0756","","","0.221","0.2306","","","","","","1.09","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030985","9.46505","0.0001","10.5284","0.00011","18.0621","0.0002","90","","90","","90","","1799.92","0.03","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0929","0.0941","","","","","","1.096","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030986","9.42849","0.00013","10.19836","0.00014","17.3158","0.0003","90","","90","","90","","1665","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0354","0.0339","","","0.0889","0.0908","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030987","8.6606","0.0003","8.8909","0.0002","11.7871","0.0004","78.273","0.003","86.46","0.003","78.272","0.003","869.92","0.05","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O S -","- C19 H22 N2 O S -","- C38 H44 N4 O2 S2 -","2","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0407","0.0391","","","0.106","0.1072","","","","","","1.087","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030988","9.53269","0.00013","9.99519","0.00013","17.74","0.0003","90","","90","","90","","1690.29","0.04","119.99","0.1","119.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0338","0.0318","","","0.0806","0.0824","","","","","","1.042","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030989","14.2453","0.0004","6.382","0.0002","19.0726","0.0006","90","","104.567","0.003","90","","1678.22","0.09","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O S -","- C19 H22 N2 O S -","- C76 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.1201","0.1146","","","0.2766","0.2848","","","","","","1.292","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030990","5.78072","0.00013","9.29719","0.00017","27.664","0.0005","90","","90","","90","","1486.79","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N2 O S -","- C14 H17 F3 N2 O S -","- C56 H68 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0474","0.0464","","","0.1238","0.1257","","","","","","1.059","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030991","9.42268","0.00011","10.66811","0.00013","18.2399","0.0002","90","","90","","90","","1833.51","0.04","119.97","0.1","119.97","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O S -","- C19 H19 F3 N2 O S -","- C76 H76 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0312","0.0297","","","0.078","0.0794","","","","","","1.025","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030992","11.36582","0.00011","15.33727","0.00014","9.60241","0.00009","90","","90","","90","","1673.9","0.03","119.97","0.1","119.97","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H20 F2 N2 O2 -","- C19 H20 F2 N2 O2 -","- C76 H80 F8 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0304","0.0301","","","0.0795","0.0799","","","","","","1.033","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030993","17.9716","0.00018","10.96238","0.00011","19.195","0.0002","90","","90","","90","","3781.64","0.07","119.99","0.1","119.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 N2 O2 -","- C19 H20 Cl2 N2 O2 -","- C152 H160 Cl16 N16 O16 -","8","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0496","0.0452","","","0.1214","0.1269","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030994","9.31801","0.00006","10.65613","0.00007","18.11473","0.00012","90","","90","","90","","1798.68","0.02","120.3","0.6","120.3","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F2 N2 O S -","- C19 H20 F2 N2 O S -","- C76 H80 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0243","0.024","","","0.0634","0.0635","","","","","","1.088","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030995","7.3111","0.0004","8.9012","0.0005","14.1362","0.0008","72.375","0.005","78.013","0.005","74.229","0.005","835.84","0.09","120.3","0.5","120.3","0.5","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 F2 N2 O2 -","- C18 H20 F2 N2 O2 -","- C36 H40 F4 N4 O4 -","2","2","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0633","0.0522","","","0.1394","0.1508","","","","","","1.011","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030996","8.1156","0.0006","19.852","0.0012","12.9765","0.0009","90","","90","","90","","2090.7","0.2","121","2","121","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl3 F2 N2 O S -","- C19 H21 Cl3 F2 N2 O S -","- C76 H84 Cl12 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0741","0.0609","","","0.1738","0.1851","","","","","","1.101","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030997","11.711","0.0003","5.8434","0.0002","15.8296","0.0004","90","","97.347","0.001","90","","1074.36","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","2","","Mondal, Mukulesh; Chen, Shi; Othman, Nabil; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-Catalyzed Diastereoselective Synthesis of β-Lactones from Disubstituted Ketenes and α-Chiral Oxyaldehydes.","The Journal of organic chemistry","2015","80","11","5789","5794","10.1021/acs.joc.5b00869","","","1.54178","CuKα","","0.0476","0.0427","","","0.1091","0.1152","","","","","","1.077","","","","has coordinates","140160","2020-10-21","18:00:00",""
"4030998","12.3053","0.0013","23.4741","0.0016","7.5861","0.0009","90","","92.857","0.009","90","","2188.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O5 -","- C22 H28 N O5 -","- C88 H112 N4 O20 -","4","1","","Kuş, Melih; Artok, Levent; Aygün, Muhittin","Palladium-Catalyzed Alkoxycarbonylation of Conjugated Enyne Oxiranes: A Diastereoselective Method for the Synthesis of 7-Hydroxy-2,3,5-trienoates.","The Journal of organic chemistry","2015","80","11","5494","5506","10.1021/acs.joc.5b00382","","x-ray","0.71073","MoKα","","0.1656","0.0676","","","0.1515","0.1984","","","","","","1","","","","has coordinates","140164","2020-10-21","18:00:00",""
"4030999","10.8246","0.0006","10.8803","0.0007","13.0456","0.0008","94.704","0.003","112.232","0.002","104.549","0.003","1349.47","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl3 N2 Ru -","- C29 H29 Cl3 N2 Ru -","- C58 H58 Cl6 N4 Ru2 -","2","1","","Rajkumar, Subramani; Karthik, Shanmugam; Gandhi, Thirumanavelan","Ru(II)-Catalyzed β-Carboline Directed C-H Arylation and Isolation of Its Cycloruthenated Intermediates.","The Journal of organic chemistry","2015","80","11","5532","5545","10.1021/acs.joc.5b00411","","","0.71073","MoKα","","0.0433","0.0294","","","0.0709","0.0808","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031000","16.5482","0.0003","5.5074","0.0001","20.1616","0.0004","90","","100.835","0.002","90","","1804.72","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","1","","Kocsis, Laura S.; Kagalwala, Husain N.; Mutto, Sharlene; Godugu, Bhaskar; Bernhard, Stefan; Tantillo, Dean J.; Brummond, Kay M.","Mechanistic Insight into the Dehydro-Diels-Alder Reaction of Styrene-Ynes.","The Journal of organic chemistry","2015","80","23","11686","11698","10.1021/acs.joc.5b00200","","","1.54178","CuKα","","0.1114","0.0651","","","0.1508","0.1719","","","","","","1.187","","","","has coordinates","170821","2020-10-21","18:00:00",""
"4031001","9.3949","0.0007","10.2467","0.0009","16.5514","0.0016","90","","103.123","0.002","90","","1551.7","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Pan, Yuan-Yuan; Wu, Ya-Nan; Chen, Zhen-Zhen; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of 3-Iminoindol-2-amines and Cyclic Enaminones via Palladium-Catalyzed Isocyanide Insertion-Cyclization.","The Journal of organic chemistry","2015","80","11","5764","5770","10.1021/acs.joc.5b00727","","","0.71073","MoKα","","0.1363","0.0561","","","0.1328","0.1912","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031002","24.847","0.003","8.6971","0.001","25.52","0.003","90","","111.133","0.002","90","","5143.9","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C248 H240 N16 O16 -","8","1","","Li, Bin; Guo, Shenghai; Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Selective Access to 3-Cyano-1H-indoles, 9H-Pyrimido[4,5-b]indoles, or 9H-Pyrido[2,3-b]indoles through Copper-Catalyzed One-Pot Multicomponent Cascade Reactions.","The Journal of organic chemistry","2015","80","11","5444","5456","10.1021/acs.joc.5b00239","","","0.71073","MoKα","","0.0693","0.0405","","","0.0981","0.1132","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031003","9.982","0.002","10.135","0.002","11.35","0.002","64.99","0.03","67.67","0.03","88.86","0.03","948.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Li, Bin; Guo, Shenghai; Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Selective Access to 3-Cyano-1H-indoles, 9H-Pyrimido[4,5-b]indoles, or 9H-Pyrido[2,3-b]indoles through Copper-Catalyzed One-Pot Multicomponent Cascade Reactions.","The Journal of organic chemistry","2015","80","11","5444","5456","10.1021/acs.joc.5b00239","","","0.71073","MoKα","","0.0828","0.0667","","","0.2331","0.2777","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031004","18.44","0.007","9.281","0.003","18.624","0.008","90","","108.026","0.018","90","","3031","2","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O2 Si -","- C15 H23 N O2 Si -","- C120 H184 N8 O16 Si8 -","8","1","","Geyer, Marcel; Karlsson, Olle; Baus, Johannes A.; Wellner, Eric; Tacke, Reinhold","Si- and C-Functional Organosilicon Building Blocks for Synthesis Based on 4-Silacyclohexan-1-ones Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,6-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl).","The Journal of organic chemistry","2015","80","11","5804","5811","10.1021/acs.joc.5b00774","","","0.71073","MoKα","","0.0537","0.0397","","","0.089","0.0966","","","","","","1.029","","","","has coordinates","140168","2020-10-21","18:00:00",""
"4031005","17.67","0.005","11.484","0.003","17.09","0.004","90","","108.22","0.02","90","","3294.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 N O3 Si -","- C16 H25 N O3 Si -","- C128 H200 N8 O24 Si8 -","8","1","","Geyer, Marcel; Karlsson, Olle; Baus, Johannes A.; Wellner, Eric; Tacke, Reinhold","Si- and C-Functional Organosilicon Building Blocks for Synthesis Based on 4-Silacyclohexan-1-ones Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,6-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl).","The Journal of organic chemistry","2015","80","11","5804","5811","10.1021/acs.joc.5b00774","","","0.71073","MoKα","","0.0526","0.0366","","","0.0851","0.093","","","","","","1.043","","","","has coordinates","140168","2020-10-21","18:00:00",""
"4031006","14.934","0.0003","10.3766","0.0003","15.7056","0.0004","90","","116.087","0.002","90","","2185.87","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl3 N O3 Si -","- C16 H30 Cl3 N O3 Si -","- C64 H120 Cl12 N4 O12 Si4 -","4","1","","Kumar, Varun; Klimovica, Kristine; Rasina, Dace; Jirgensons, Aigars","2-Vinyl Threoninol Derivatives via Acid-Catalyzed Allylic Substitution of Bisimidates.","The Journal of organic chemistry","2015","80","11","5934","5943","10.1021/acs.joc.5b00529","","","0.71073","MoKα","","0.1013","0.0571","","","0.1223","0.1441","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031007","11.435","0.0005","13.7734","0.0004","27.2118","0.0017","90","","90","","90","","4285.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H12 Co2 O6 S -","- C23 H12 Co2 O6 S -","- C184 H96 Co16 O48 S8 -","8","1","","Danilkina, Natalia A.; Lyapunova, Anna G.; Khlebnikov, Alexander F.; Starova, Galina L.; Bräse, Stefan; Balova, Irina A.","Ring-Closing Metathesis of Co2(CO)6-Alkyne Complexes for the Synthesis of 11-Membered Dienediynes: Overcoming Thermodynamic Barriers.","The Journal of organic chemistry","2015","80","11","5546","5555","10.1021/acs.joc.5b00409","","","0.7107","MoKα","","0.071","0.0431","","","0.0728","0.082","","","","","","1.035","","","","has coordinates","154709","2020-10-21","18:00:00",""
"4031008","23.139","0.005","7.1275","0.0015","23.454","0.005","90","","96.439","0.007","90","","3843.7","1.4","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H63 N O2 Si -","- C40 H63 N O2 Si -","- C160 H252 N4 O8 Si4 -","4","1","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.1594","0.0653","","","0.1086","0.137","","","","","","1.013","","","","has coordinates","140159","2020-10-21","18:00:00",""
"4031009","4.5889","0.0002","46.758","0.002","8.8264","0.0005","90","","104.958","0.003","90","","1829.69","0.15","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.118","0.1027","","","0.274","0.2845","","","","","","1.051","","","","has coordinates,has disorder","140159","2020-10-21","18:00:00",""
"4031018","5.5907","0.0017","13.518","0.004","5.7882","0.0017","90","","92.261","0.007","90","","437.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0992","0.0633","","","0.144","0.1634","","","","","","1.039","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031019","10.902","0.009","11.579","0.009","11.064","0.009","90","","112.415","0.015","90","","1291.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 Cl N O4 Si -","- C24 H34 Cl N O4 Si -","- C48 H68 Cl2 N2 O8 Si2 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0515","0.0475","","","0.1309","0.1353","","","","","","1.042","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031024","24.205","0.016","10.18","0.006","14.216","0.008","90","","107.461","0.014","90","","3342","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Gao, Qinghe; Liu, Shan; Wu, Xia; Zhang, Jingjing; Wu, Anxin","Coproduct Promoted Povarov Reaction: Synthesis of Substituted Quinolines from Methyl Ketones, Arylamines, and α-Ketoesters.","The Journal of organic chemistry","2015","80","11","5984","5991","10.1021/acs.joc.5b00785","","","0.71073","MoKα","","0.1621","0.0654","","","0.1736","0.2292","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031025","10.3117","0.0005","11.9449","0.0007","20.2093","0.0013","90","","97.899","0.003","90","","2465.6","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O2 Si -","- C26 H38 O2 Si -","- C104 H152 O8 Si4 -","4","1","","LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean","Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.","The Journal of organic chemistry","2015","80","11","5877","5886","10.1021/acs.joc.5b00914","","","0.71075","MoKα","","","0.0579","","","","0.0699","","","","","","1.077","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031026","8.0594","0.0003","11.3396","0.0005","13.1503","0.0004","92.0232","0.0014","103.648","0.0015","102.583","0.002","1135.05","0.08","173.1","","173.1","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 O2 Si -","- C24 H34 O2 Si -","- C48 H68 O4 Si2 -","2","1","","LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean","Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.","The Journal of organic chemistry","2015","80","11","5877","5886","10.1021/acs.joc.5b00914","","","0.7107","MoKα","","","0.0374","","","","0.059","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031027","19.9653","0.0005","11.0573","0.0005","19.3517","0.0006","90","","111.054","0.003","90","","3986.9","0.3","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C176 H136 Br8 N16 O8 -","8","2","","You, Yong; Cui, Bao-Dong; Zhou, Ming-Qiang; Zuo, Jian; Zhao, Jian-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Friedel-Crafts Cascade Reaction of 3-Pyrrolyl-oxindoles and α,β-Unsaturated Aldehydes for the Construction of Chiral Spiro[5,6-dihydropyrido[1,2-a]pyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2015","80","11","5951","5957","10.1021/acs.joc.5b00597","","","1.54184","CuKα","","0.0378","0.035","","","0.0892","0.0921","","","","","","1.034","","","","has coordinates","154707","2020-10-21","18:00:00",""
"4031028","8.351","0.0003","10.3972","0.0005","19.702","0.0009","76.5053","0.0014","87.3402","0.0013","84.9412","0.0014","1656.37","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Allyl 2-(diphenylsulfuranylidene)-3-oxobutanoate","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","2","","Klimczyk, Sebastian; Huang, Xueliang; Kählig, Hanspeter; Veiros, Luís F; Maulide, Nuno","Stereoselective gold(i) domino catalysis of allylic isomerization and olefin cyclopropanation: mechanistic studies.","The Journal of organic chemistry","2015","80","11","5719","5729","10.1021/acs.joc.5b00666","","","0.71073","MoKα","","0.0693","0.0433","","","0.0948","0.1034","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031029","9.6424","0.0006","10.3792","0.0009","15.5817","0.001","101.835","0.006","99.157","0.006","110.433","0.007","1384.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Br N4 O3 S -","- C30 H27 Br N4 O3 S -","- C60 H54 Br2 N8 O6 S2 -","2","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0685","0.0433","","","0.0945","0.1073","","","","","","1.046","","","","has coordinates","140161","2020-10-21","18:00:00",""
"4031030","14.5464","0.0007","13.4795","0.0007","18.7867","0.0012","90","","128.458","0.003","90","","2884.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 I N4 O3 S -","- C30 H27 I N4 O3 S -","- C120 H108 I4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0635","0.0425","","","0.0926","0.1053","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031031","10.098","0.0008","10.4098","0.0008","14.2493","0.0013","81.816","0.007","71.45","0.007","80.408","0.006","1393.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N4 O3 S -","- C31 H30 N4 O3 S -","- C62 H60 N8 O6 S2 -","2","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0825","0.0511","","","0.1162","0.1377","","","","","","1.037","","","","has coordinates","140161","2020-10-21","18:00:00",""
"4031032","12.6036","0.0005","24.3794","0.0008","10.3073","0.0003","90","","100.851","0.003","90","","3110.48","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N4 O3 S -","- C30 H27 Cl N4 O3 S -","- C120 H108 Cl4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0705","0.0514","","","0.1517","0.165","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031033","12.6036","0.0007","24.4452","0.0012","10.3548","0.0004","90","","100.952","0.005","90","","3132.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Br N4 O3 S -","- C30 H27 Br N4 O3 S -","- C120 H108 Br4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0776","0.047","","","0.1192","0.1326","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031034","10.6858","0.0004","6.5912","0.0003","15.6583","0.0007","90","","100.169","0.003","90","","1085.52","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C50 H64 O8 -","2","1","","Williams, David R.; Gladen, Paul T.; Pinchman, Joseph R.","Total synthesis of neodolastane diterpenes trichoaurantianolides C and d.","The Journal of organic chemistry","2015","80","11","5474","5493","10.1021/acs.joc.5b00355","","x-ray","1.54178","CuKα","","0.0421","0.0346","","","0.0805","0.0842","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031035","22.497","0.003","5.437","0.0007","16.731","0.003","90","","110.762","0.017","90","","1913.6","0.5","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Ruiz-Olalla, Andrea; Retamosa, María de Gracia; Cossío, Fernando P","Densely Substituted l-Proline Esters as Catalysts for Asymmetric Michael Additions of Ketones to Nitroalkenes.","The Journal of organic chemistry","2015","80","11","5588","5599","10.1021/acs.joc.5b00495","","x-ray","1.54184","CuKα","","0.0924","0.0658","","","0.1475","0.1674","","","","","","0.998","","","","has coordinates,has disorder","141372","2020-10-21","18:00:00",""
"4031036","4.0495","0.0013","5.6747","0.0018","41.897","0.013","90","","91.009","0.005","90","","962.6","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br O S -","- C10 H7 Br O S -","- C40 H28 Br4 O4 S4 -","4","1","","Mal, Kanchan; Kaur, Amanpreet; Haque, Fazle; Das, Indrajit","PPh3·HBr-DMSO: A Reagent System for Diverse Chemoselective Transformations.","The Journal of organic chemistry","2015","80","12","6400","6410","10.1021/acs.joc.5b00846","","","0.71073","MoKα","","0.0495","0.0423","","","0.1059","0.11","","","","","","1.064","","","","has coordinates","140156","2020-10-21","18:00:00",""
"4031038","5.75012","0.00008","14.30489","0.00018","25.1436","0.0003","90","","90","","90","","2068.18","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Cl2 N O -","- C24 H21 Cl2 N O -","- C96 H84 Cl8 N4 O4 -","4","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0909","0.0926","","","","","","1.03","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031039","6.11584","0.00008","7.91067","0.00011","22.5849","0.0003","90","","93.7987","0.0012","90","","1090.27","0.03","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 Cl2 N O -","- C25 H23 Cl2 N O -","- C50 H46 Cl4 N2 O2 -","2","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0338","0.0336","","","0.089","0.0892","","","","","","1.038","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031040","11.2911","0.0014","11.5932","0.0013","12.2066","0.0014","90","","90","","90","","1597.8","0.3","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","1","","Slater, Kara A.; Friestad, Gregory K.","Mn-Mediated Radical-Ionic Annulations of Chiral N-Acylhydrazones.","The Journal of organic chemistry","2015","80","12","6432","6440","10.1021/acs.joc.5b00863","","","0.71073","MoKα","","0.0643","0.0406","","","0.0804","0.0893","","","","","","1.024","","","","has coordinates,has disorder","140149","2020-10-21","18:00:00",""
"4031041","9.8962","0.0002","12.3956","0.0002","14.3686","0.0003","103.711","0.001","104.868","0.001","107.407","0.001","1528.58","0.05","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C72 H92 N4 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0638","0.055","","","0.1233","0.1312","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031042","11.4645","0.0002","10.3142","0.0002","17.1773","0.0003","90","","100.207","0.001","90","","1999.02","0.06","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0636","0.0534","","","0.1217","0.1303","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031043","10.9544","0.0002","15.5811","0.0002","16.24","0.0003","90","","93.015","0.0001","90","","2768.03","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 S -","- C33 H34 N2 S -","- C132 H136 N8 S4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0712","0.0564","","","0.1228","0.1339","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031044","10.3678","0.0001","20.1857","0.0003","38.4806","0.0006","90","","95.39","0.001","90","","8017.66","0.19","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H62 Al N2 -","- C44.5 H62 Al N2 -","- C356 H496 Al8 N16 -","8","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.1156","0.0772","","","0.1678","0.1899","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031045","14.0496","0.0008","9.4","0.0005","21.414","0.0012","90","","104.563","0.005","90","","2737.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C128 H144 N8 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0702","0.048","","","0.1065","0.1207","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031046","9.5726","0.0001","10.3245","0.0002","19.003","0.0003","89.129","0.001","79.111","0.001","79.743","0.001","1814.49","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H58 Al N3 -","- C38 H58 Al N3 -","- C76 H116 Al2 N6 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0531","0.047","","","0.1096","0.1156","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031047","15.5641","0.0002","9.7761","0.0002","20.3018","0.0003","90","","91.927","0.002","90","","3087.3","0.09","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C144 H184 N8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0727","0.0528","","","0.1161","0.1306","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031048","16.316","0.003","18.957","0.004","24.372","0.005","90","","93.41","0.03","90","","7525","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Al N2 S -","- C41 H51 Al N2 S -","- C328 H408 Al8 N16 S8 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.1035","0.0672","","","0.1299","0.149","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031049","24.337","0.0003","14.4058","0.0002","23.6049","0.0003","90","","116.255","0.001","90","","7421.96","0.18","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Al N2 O -","- C41 H51 Al N2 O -","- C328 H408 Al8 N16 O8 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0809","0.0593","","","0.1238","0.1378","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031050","12.2472","0.0002","14.9329","0.0002","15.3099","0.0002","90","","105.568","0.001","90","","2697.25","0.07","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 N2 O -","- C33 H34 N2 O -","- C132 H136 N8 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0656","0.0544","","","0.1283","0.1361","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031051","9.5999","0.0003","21.4717","0.0007","21.4092","0.0008","90","","103.025","0.002","90","","4299.5","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C192 H240 N16 O8 -","8","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0673","0.0559","","","0.1447","0.1556","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031052","11.2789","0.0002","14.8836","0.0002","16.6853","0.0003","108.907","0.001","93.118","0.001","90.678","0.001","2644.64","0.08","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H41 N3 -","- C30 H41 N3 -","- C120 H164 N12 -","4","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0895","0.0718","","","0.1562","0.1699","","","","","","1.095","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031053","13.3302","0.0002","17.4231","0.0003","13.193","0.0002","90","","112.82","0.001","90","","2824.28","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 N3 O2 -","- C31 H41 N3 O2 -","- C124 H164 N12 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.085","0.0635","","","0.1315","0.147","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031054","11.7512","0.0002","13.6029","0.0002","16.0553","0.0002","90","","90","","90","","2566.45","0.07","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0385","0.035","","","0.0779","0.0813","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031055","9.6606","0.0005","10.3697","0.0004","19.904","0.0011","90","","94.215","0.004","90","","1988.54","0.17","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0547","0.0429","","","0.1017","0.1096","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031056","35.9358","0.0004","10.7792","0.0003","13.7801","0.0002","90","","105.597","0.001","90","","5141.29","0.17","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C256 H240 N16 O16 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.05","0.0424","","","0.0989","0.1058","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031057","9.3621","0.0002","10.0342","0.0002","18.8087","0.0005","91.158","0.001","99.102","0.001","115.881","0.001","1561.73","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Al N -","- C34 H46 Al N -","- C68 H92 Al2 N2 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.089","0.0736","","","0.1772","0.1926","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031058","12.6115","0.0002","13.0653","0.0002","14.4113","0.0002","67.348","","71.132","","86.941","0.001","2066.77","0.05","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","2","","Bornadiego, Ana; Díaz, Jesús; Marcos, Carlos F.","Regioselective Tandem [4 + 1]-[4 + 2] Synthesis of Amino-Substituted Dihydroxanthones and Xanthones.","The Journal of organic chemistry","2015","80","12","6165","6172","10.1021/acs.joc.5b00658","","","0.71073","MoKα","","0.054","0.0434","","","0.1384","0.1506","","","","","","1.1487","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031059","5.283","0.0012","10.535","0.003","18.544","0.004","84.255","0.018","85.865","0.017","89.552","0.019","1024.2","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1572","0.0813","","","0.1928","0.2601","","","","","","1.009","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031060","5.4181","0.0006","15.648","0.0015","12.4307","0.0015","90","","92.416","0.009","90","","1053","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1251","0.0637","","","0.1392","0.1723","","","","","","1.046","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031061","5.4242","0.0013","15.518","0.005","23.693","0.005","90","","90","","90","","1994.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2514","0.0757","","","0.0784","0.117","","","","","","0.976","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031062","10.7814","0.001","10.1234","0.0008","26.655","0.003","90","","90.485","0.01","90","","2909.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N3 O7 -","- C28 H33 N3 O7 -","- C112 H132 N12 O28 -","4","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2651","0.0999","","","0.2027","0.2498","","","","","","0.969","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031063","8.7262","0.0002","17.1531","0.0005","11.8482","0.0003","90","","92.796","0.001","90","","1771.34","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Slauson, Stephen R.; Pemberton, Ryan; Ghosh, Partha; Tantillo, Dean J.; Aubé, Jeffrey","Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions.","The Journal of organic chemistry","2015","80","10","5260","5271","10.1021/acs.joc.5b00804","","","1.54178","CuKα","","0.0314","0.0313","","","0.0746","0.0748","","","","","","1.083","","","","has coordinates","138001","2020-10-21","18:00:00",""
"4031064","10.1366","0.0003","6.8043","0.0002","22.8035","0.0007","90","","101.968","0.001","90","","1538.63","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Slauson, Stephen R.; Pemberton, Ryan; Ghosh, Partha; Tantillo, Dean J.; Aubé, Jeffrey","Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions.","The Journal of organic chemistry","2015","80","10","5260","5271","10.1021/acs.joc.5b00804","","","1.54178","CuKα","","0.0388","0.0379","","","0.0975","0.0982","","","","","","1.138","","","","has coordinates","138002","2020-10-21","18:00:00",""
"4031065","5.2638","0.0002","19.753","0.0008","46.4372","0.0018","90","","90","","90","","4828.3","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H52 I2 N4 O11 -","- C51 H52 I2 N4 O11 -","- C204 H208 I8 N16 O44 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0347","0.0301","","","0.0734","0.0752","","","","","","1.047","","","","has coordinates,has disorder","138003","2020-10-21","18:00:00",""
"4031066","4.9813","0.0006","15.186","0.0017","30.852","0.004","90","","90","","90","","2333.8","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 I N2 O5 -","- C25 H25 I N2 O5 -","- C100 H100 I4 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0699","0.0562","","","0.1352","0.1418","","","","","","1.012","","","","has coordinates","138004","2020-10-21","18:00:00",""
"4031067","4.8504","0.0004","11.6933","0.0009","18.5551","0.0015","90","","96.39","0.004","90","","1045.85","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0465","0.0357","","","0.0851","0.0906","","","","","","1.046","","","","has coordinates","138005","2020-10-21","18:00:00",""
"4031068","5.1384","0.0003","15.0009","0.0009","28.0218","0.0016","90","","90","","90","","2159.9","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C100 H104 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0886","0.054","","","0.1053","0.1172","","","","","","1.072","","","","has coordinates","138006","2020-10-21","18:00:00",""
"4031069","9.4075","0.0008","12.1987","0.001","27.339","0.002","90","","90","","90","","3137.4","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O7 -","- C35 H38 N2 O7 -","- C140 H152 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.117","0.0547","","","0.1057","0.1246","","","","","","1.012","","","","has coordinates,has disorder","138007","2020-10-21","18:00:00",""
"4031070","11.494","0.003","12.538","0.003","16.684","0.004","90","","90","","90","","2404.4","1","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl3 N O4 S -","- C23 H18 Cl3 N O4 S -","- C92 H72 Cl12 N4 O16 S4 -","4","1","","Wen, Jiangwei; Wei, Wei; Xue, Shengnan; Yang, Daoshan; Lou, Yu; Gao, Chaoyang; Wang, Hua","Metal-Free Oxidative Spirocyclization of Alkynes with Sulfonylhydrazides Leading to 3-Sulfonated Azaspiro[4,5]trienones.","The Journal of organic chemistry","2015","80","10","4966","4972","10.1021/acs.joc.5b00361","","","0.71073","MoKα","","0.0817","0.0579","","","0.1332","0.1458","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031071","10.83","0.002","10.354","0.002","11.114","0.002","90","","94.62","0.03","90","","1242.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Cl2 N O5 -","- C26 H25 Cl2 N O5 -","- C52 H50 Cl4 N2 O10 -","2","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0365","0.0277","","","0.0647","0.0667","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031072","5.6009","0.0011","14.502","0.003","24.919","0.005","90","","90","","90","","2024","0.7","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0403","0.0381","","","0.0823","0.084","","","","","","1.077","","","","has coordinates","138010","2020-10-21","18:00:00",""
"4031073","6.3432","0.0004","11.6806","0.0009","11.8916","0.0009","90","0.006","97.09","0.006","90","0.006","874.34","0.11","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cyanoadamantan form A1","","","- C11 H13 N -","- C11 H13 N -","- C44 H52 N4 -","4","1","","Bremer, Matthias; Untenecker, Harald; Gunchenko, Pavel A.; Fokin, Andrey A.; Schreiner, Peter R.","Inverted Carbon Geometries: Challenges to Experiment and Theory.","The Journal of organic chemistry","2015","80","12","6520","6524","10.1021/acs.joc.5b00845","","x-ray","1.5418","CuKα","","0.0483","0.04","","","0.1035","0.1096","","","","","","1.061","","","","has coordinates","140148","2020-10-21","18:00:00",""
"4031074","10.3611","0.0012","6.327","0.0008","14.2252","0.0017","90","","110.316","0.0017","90","","874.52","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C38 H34 Br2 N4 O6 -","2","1","","Mao, Jian-Hui; Wang, Zi-Tian; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Oxidative Annulations of α,β-Unsaturated Aldehydes with Hydrazones: Selective Synthesis of Optically Active 4,5-Dihydropyridazin-3-ones and Pyridazin-3-ones.","The Journal of organic chemistry","2015","80","12","6350","6359","10.1021/acs.joc.5b00784","","","0.71073","MoKα","","0.0258","0.0233","","","0.0529","0.0538","","","","","","0.855","","","","has coordinates","140150","2020-10-21","18:00:00",""
"4031075","17.1991","0.0006","32.3567","0.0012","5.9359","0.0002","90","","90","","90","","3303.4","0.2","158","2","158","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H57 O7 -","- C34 H56.992 O7 -","- C136 H227.968 O28 -","4","1","","Jastrzębska, Izabella; Morawiak, Maja; Rode, Joanna E.; Seroka, Barbara; Siergiejczyk, Leszek; Morzycki, Jacek W.","Oxidation of Olefins with Benzeneseleninic Anhydride in the Presence of TMSOTf.","The Journal of organic chemistry","2015","80","12","6052","6061","10.1021/acs.joc.5b00410","","","1.54178","CuKα","","0.0705","0.0576","","","0.16","0.1647","","","","","","1.04","","","","has coordinates,has disorder","141368","2020-10-21","18:00:00",""
"4031076","8.8431","0.0015","9.2418","0.0009","11.882","0.0018","69.782","0.011","88.764","0.016","79.097","0.013","893.8","0.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C26 H14 O2 -","- C26 H14 O2 -","- C52 H28 O4 -","2","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.0698","0.054","","","0.1445","0.1575","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031077","15.365","0.003","14.272","0.003","16.775","0.003","90","","90","","90","","3678.6","1.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P b c a","-P 2ac 2ab","61","","","","- C28 H14 -","- C28 H14 -","- C224 H112 -","8","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0602","","","0.1456","0.1499","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031078","21.7286","0.0007","7.9945","0.0002","13.6141","0.0004","90","","90.9662","0.0012","90","","2364.56","0.12","150","2","150","2","","","","","","","synthesized by Dr. Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 Br4 -","- C28 H14 Br4 -","- C112 H56 Br16 -","4","0.5","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.0494","0.0326","","","0.0774","0.0835","","","","","","1.044","","","","has coordinates","140152","2020-10-21","18:00:00",""
"4031079","11.5848","0.0003","19.1308","0.0005","13.8902","0.0003","90","","97.353","0.001","90","","3053.12","0.13","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl2 -","- C36 H44 Cl2 -","- C144 H176 Cl8 -","4","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0414","","","0.0953","0.1066","","","","","","1.023","","","","has coordinates","140152","2020-10-21","18:00:00",""
"4031080","15.3762","0.0012","9.3483","0.0007","6.8213","0.0006","90","","90","","90","","980.5","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","2,2-dinitropropane-1,3-diyl dicarbamate","2,2-dinitropropane-1,3-diyl dicarbamate","","- C5 H8 N4 O8 -","- C5 H8 N4 O8 -","- C20 H32 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0616","0.042","","","0.0718","0.0822","","","","","","1.047","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031081","13.471","0.003","6.399","0.0007","9.737","0.0013","90","","106.543","0.018","90","","804.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-dinitropropyl carbamate","2,2-dinitropropyl carbamate","","- C4 H7 N3 O6 -","- C4 H7 N3 O6 -","- C16 H28 N12 O24 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0712","0.0507","","","0.1211","0.135","","","","","","1.066","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031082","13.4255","0.0008","10.2488","0.0006","7.469","0.0005","90","","95.778","0.006","90","","1022.48","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4,4-trinitrobutyl carbamate","4,4,4-trinitrobutyl carbamate","","- C5 H8 N4 O8 -","- C5 H8 N4 O8 -","- C20 H32 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0737","0.0573","","","0.1542","0.1684","","","","","","1.057","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031083","14.716","0.003","5.985","0.0009","9.6928","0.0012","90","","103.728","0.014","90","","829.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-fluoro-2,2-dinitroethyl nitrocarbamate","2-fluoro-2,2-dinitroethyl nitrocarbamate","","- C3 H3 F N4 O8 -","- C3 H3 F N4 O8 -","- C12 H12 F4 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0419","0.0306","","","0.0671","0.0735","","","","","","1.043","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031084","10.1269","0.0005","9.6783","0.0004","26.0397","0.0012","90","","90","","90","","2552.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","","- C5 H6 N6 O12 -","- C5 H6 N6 O12 -","- C40 H48 N48 O96 -","8","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0388","0.0295","","","0.0703","0.0762","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031085","15.4551","0.0006","6.2566","0.0002","9.7445","0.0004","90","","105.824","0.004","90","","906.55","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-dinitropropyl nitrocarbamate","2,2-dinitropropyl nitrocarbamate","","- C4 H6 N4 O8 -","- C4 H6 N4 O8 -","- C16 H24 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0387","0.0312","","","0.0742","0.0791","","","","","","1.051","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031086","8.569","0.001","10.803","0.0008","25.531","0.0005","90","","90","","90","","2363.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,4,4-trinitrobutyl nitrocarbamate","4,4,4-trinitrobutyl nitrocarbamate","","- C5 H7 N5 O10 -","- C5 H7 N5 O10 -","- C40 H56 N40 O80 -","8","2","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.1046","0.076","","","0.2012","0.2352","","","","","","1.033","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031087","14.207","0.005","18.011","0.006","20.025","0.007","89.45","0.05","74.45","0.04","88.09","0.04","4934","3","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H90 Br12 N6 -","- C108 H90 Br12 N6 -","- C216 H180 Br24 N12 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.2613","0.1124","","","0.1938","0.236","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031088","20.366","0.006","15.717","0.004","21.878","0.006","90","","116.18","0.03","90","","6285","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Br4 N2 -","- C36.0005 H30 Br4 N2 -","- C288.004 H240 Br32 N16 -","8","2","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.134","0.0482","","","0.0581","0.0642","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031089","10.559","0.004","12.438","0.004","25.464","0.009","92.67","0.05","92.01","0.05","101.27","0.05","3273","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 Br8 N4 -","- C72 H60 Br8 N4 -","- C144 H120 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.2392","0.0634","","","0.0639","0.0745","","","","","","0.885","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031090","13.461","0.004","14.296","0.004","14.91","0.005","95.41","0.03","111.3","0.03","90.28","0.03","2659","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.5 H51 Br6 Cl2 N3 -","- C57.499 H51 Br6 Cl2 N3 -","- C114.998 H102 Br12 Cl4 N6 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1153","0.0487","","","0.0971","0.1076","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031091","15.649","0.005","16.371","0.006","17.414","0.006","103.6","0.03","104.12","0.03","107.62","0.03","3886","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 Br8 N4 -","- C92.001 H72 Br8 N4 -","- C184.002 H144 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1379","0.0675","","","0.1027","0.125","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031092","8.5347","0.0019","10.853","0.003","16.733","0.004","77.67","0.04","86.61","0.04","67.97","0.05","1403.2","0.8","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H76 N4 -","- C72 H76 N4 -","- C72 H76 N4 -","1","0.5","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.0931","0.0576","","","0.1117","0.1268","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031093","11.184","0.004","14.37","0.006","16.37","0.006","85.38","0.05","88","0.04","73.02","0.05","2507.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 Br6 Cl2 N3 -","- C54 H47 Br6 Cl2 N3 -","- C108 H94 Br12 Cl4 N6 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1649","0.1069","","","0.2428","0.2696","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031094","13.356","0.004","16.431","0.005","20.106","0.006","72.86","0.03","77.55","0.03","70.52","0.03","3941","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H68 Br8 N4 -","- C98 H68 Br8 N4 -","- C196 H136 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1245","0.0635","","","0.1049","0.1246","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031096","8.2829","0.0012","10.089","0.0015","30.145","0.004","90","","91.266","0.008","90","","2518.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C100 H128 N8 O20 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Microwave-Assisted Copper-Catalyzed Four-Component Tandem Synthesis of 3-N-Sulfonylamidine Coumarins.","The Journal of organic chemistry","2015","80","12","6291","6299","10.1021/acs.joc.5b00738","","","0.71073","MoKα","","0.0672","0.0459","","","0.1239","0.1365","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031097","11.997","0.0005","18.4263","0.0007","12.1195","0.0004","90","","108.212","0.002","90","","2544.93","0.17","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 S -","- C27 H28 N2 O4 S -","- C108 H112 N8 O16 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Microwave-Assisted Copper-Catalyzed Four-Component Tandem Synthesis of 3-N-Sulfonylamidine Coumarins.","The Journal of organic chemistry","2015","80","12","6291","6299","10.1021/acs.joc.5b00738","","","0.71073","MoKα","","0.0972","0.0506","","","0.1445","0.1713","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031098","7.5235","0.0004","15.9222","0.0009","20.545","0.0012","90","","90","","90","","2461.1","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0266","0.0261","","","0.0744","0.0751","","","","","","0.997","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031099","7.3352","0.0015","15.87","0.003","20.672","0.004","90","","90","","90","","2406.4","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0278","0.0267","","","0.069","0.0697","","","","","","1.052","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031100","11.158","0.002","6.258","0.0011","12.637","0.003","90","","113.207","0.002","90","","811","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H15 Br O -","- C23 H15 Br O -","- C46 H30 Br2 O2 -","2","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71069","MoKα","","","0.046","","","","0.1278","","","","","","1.073","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031101","7.48247","0.0001","12.22704","0.00013","17.86813","0.00019","90","","90","","90","","1634.73","0.03","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl (S)-2-(1-(4-nitrophenyl)-1,4-dioxopentan-3-yl)malonate","","- C16 H17 N O8 -","- C16 H17 N O8 -","- C64 H68 N4 O32 -","4","1","","Lippur, Kristin; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","CaCl2, Bisoxazoline, and Malonate: A Protocol for an Asymmetric Michael Reaction.","The Journal of organic chemistry","2015","80","12","6336","6341","10.1021/acs.joc.5b00769","","x-ray","1.54184","CuKα","","0.0249","0.0241","","","0.061","0.0616","","","","","","1.049","","","","has coordinates","140147","2020-10-21","18:00:00",""
"4031102","12.7684","0.0012","5.9698","0.0004","20.444","0.003","90","","100.819","0.011","90","","1530.6","0.3","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","","0.71073","MoKα","","0.1434","0.0861","","","0.2156","0.307","","","","","","1.049","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031103","10.5067","0.0008","11.0853","0.0008","15.2577","0.0011","87.332","0.006","89.286","0.006","62.328","0.007","1572","0.2","294.58","0.1","294.58","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","2","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","x-ray","0.71073","MoKα","","0.0643","0.0449","","","0.0907","0.1069","","","","","","1.081","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031104","11.2301","0.0009","4.8137","0.0004","15.8196","0.0017","90","","97.237","0.009","90","","848.37","0.13","182","30","182","30","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O3 S -","- C7 H9 N O3 S -","- C28 H36 N4 O12 S4 -","4","1","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","","0.71073","MoKα","","0.0852","0.052","","","0.1188","0.1425","","","","","","1.02","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031105","9.6196","0.0004","11.5783","0.0005","28.3556","0.0013","90","","90","","90","","3158.2","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.053","0.0418","","","0.0929","0.1009","","","","","","1.049","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031106","7.6641","0.0003","17.3063","0.0008","10.5169","0.0004","90","","93.678","0.004","90","","1392.06","0.1","100","0.1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.0576","0.0426","","","0.0983","0.1069","","","","","","1.048","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031107","9.985","0.0007","14.3686","0.0013","16.9433","0.0009","69.827","0.007","77.025","0.006","74.068","0.007","2171.3","0.3","100","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O -","- C29 H25 N O -","- C116 H100 N4 O4 -","4","2","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.1439","0.0651","","","0.1483","0.1964","","","","","","0.959","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031108","11.6205","0.0002","11.36761","0.00017","19.4826","0.0004","90","","105.549","0.002","90","","2479.41","0.08","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O4 -","- C29 H31 N O4 -","- C116 H124 N4 O16 -","4","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","","1.5418","CuKα","","0.0507","0.0403","","","0.1074","0.1175","","","","","","1.027","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031109","13.4777","0.0007","9.3088","0.0007","17.2255","0.0013","90","","106.022","0.003","90","","2077.2","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C21.67 H23.67 B N2 O5.67 -","- C21.67 H23.68 B N2 O5.67 -","- C86.68 H94.72 B4 N8 O22.68 -","4","1","","Eberlin, Ludovic; Carboni, Bertrand; Whiting, Andrew","Regioisomeric and Substituent Effects upon the Outcome of the Reaction of 1-Borodienes with Nitrosoarene Compounds.","The Journal of organic chemistry","2015","80","13","6574","6583","10.1021/acs.joc.5b00593","","x-ray","0.71073","MoKα","","0.0661","0.0426","","","0.0955","0.1068","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031110","15.2114","0.0014","7.1506","0.0007","12.2547","0.0012","90","","90","","90","","1333","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam","Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.","The Journal of organic chemistry","2015","80","13","6776","6783","10.1021/acs.joc.5b00820","","","0.71073","MoKα","","0.0576","0.0406","","","0.0922","0.1023","","","","","","1.114","","","","has coordinates","140145","2020-10-21","18:00:00",""
"4031111","9.493","0.0005","8.0554","0.0004","23.9965","0.0012","90","","94.04","0.003","90","","1830.45","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O7 S -","- C17 H19 N O7 S -","- C68 H76 N4 O28 S4 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam","Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.","The Journal of organic chemistry","2015","80","13","6776","6783","10.1021/acs.joc.5b00820","","","0.71073","MoKα","","0.0481","0.0404","","","0.1135","0.12","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031112","9.3764","0.0007","14.5912","0.0011","16.0093","0.0012","84.4469","0.0017","85.6663","0.0018","87.7373","0.0018","2172.6","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H62 F3 O5 P Pd S -","- C45 H62 F3 O5 P Pd S -","- C90 H124 F6 O10 P2 Pd2 S2 -","2","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0536","0.0387","","","0.0849","0.094","","","","","","1.012","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031113","11.31","0.0017","17.578","0.003","17.184","0.003","90","","102.713","0.002","90","","3332.6","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Cl O2 P Pd -","- C34 H50 Cl O2 P Pd -","- C136 H200 Cl4 O8 P4 Pd4 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0342","0.0313","","","0.0852","0.0877","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031114","12.9777","0.001","14.6182","0.0011","19.5826","0.0015","90","","90","","90","","3715","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 F3 O5 P Pd S -","- C35 H54 F3 O5 P Pd S -","- C140 H216 F12 O20 P4 Pd4 S4 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0207","0.0193","","","0.0472","0.0481","","","","","","1.052","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031115","25.014","0.003","12.749","0.0013","18.2583","0.0019","90","","90","","90","","5822.6","1.1","200","2","200","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C55 H75 Cl O4 P2 Pd2 -","- C55 H75 Cl O4 P2 Pd2 -","- C220 H300 Cl4 O16 P8 Pd8 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.1578","0.0617","","","0.0961","0.1215","","","","","","1.033","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4031116","17.8856","0.0014","14.336","0.0011","31.032","0.003","90","","97.703","0.002","90","","7885.1","1.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H54 F3 O3 P Pd S -","- C39 H54 F3 O3 P Pd S -","- C312 H432 F24 O24 P8 Pd8 S8 -","8","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0884","0.0484","","","0.1008","0.1186","","","","","","1.032","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031117","10.5192","0.0002","21.7942","0.0005","19.6037","0.0005","90","","91.659","0.002","90","","4492.41","0.18","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H63 N O2 P Pd -","- C51 H63 N O2 P Pd -","- C204 H252 N4 O8 P4 Pd4 -","4","2","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","1.54178","CuKα","","0.1002","0.0816","","","0.2032","0.2184","","","","","","1.094","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4031118","14.2001","0.0013","15.3974","0.0014","16.3997","0.0015","102.011","0.002","100.472","0.002","105.765","0.001","3265.3","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 Cl O2 P Pd -","- C33 H48 Cl O2 P Pd -","- C132 H192 Cl4 O8 P4 Pd4 -","4","2","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.051","0.0334","","","0.0738","0.0831","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031119","9.722","0.0002","10.9729","0.0002","21.2502","0.0005","90","","90","","90","","2266.94","0.08","150","","150","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.0869","0.0518","","0.1121","0.0921","0.0879","","","","","","0.9293","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031120","17.588","0.0004","5.8983","0.0002","18.3453","0.0006","90","","118.522","0.0011","90","","1672.15","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.0672","0.0425","","0.1054","0.0966","0.1054","","","","","","0.9359","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031121","12.1751","0.0002","9.859","0.0001","14.8593","0.0002","90","","111.057","0.0006","90","","1664.52","0.04","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.1044","0.1012","","0.2218","0.2207","0.2218","","","","","","1.0803","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031122","16.6322","0.001","24.935","0.0011","9.3624","0.0004","90","","98.764","0.005","90","","3837.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","2","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","1.5418","CuKα","","0.1385","0.0767","","0.2405","0.1925","0.2399","","","","","","1.0928","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031123","5.5475","0.0005","16.3419","0.0015","19.7031","0.0016","90","","90","","90","","1786.2","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Drouillat, B.; Wright, K.; Quinodoz, P.; Marrot, J.; Couty, F.","Aza-[2,3]-Wittig Sigmatropic Rearrangement of Allylic Tertiary Amines: A Successful Example with High Chirality Transfer.","The Journal of organic chemistry","2015","80","13","6936","6940","10.1021/acs.joc.5b01230","","","0.71073","MoKα","","0.0635","0.0427","","","0.0903","0.1006","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031124","5.537","0.003","8.819","0.005","25.832","0.016","90","","90","","90","","1261.4","1.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 -","- C15 H18 N2 -","- C60 H72 N8 -","4","1","","Shih, Yu-Chiao; Tsai, Pei-Hua; Hsu, Chia-Chun; Chang, Chih-Wei; Jhong, Yuandong; Chen, Yun-Chung; Chien, Tun-Cheng","Biomimetic Approach toward the Total Synthesis of rac-2-(Acylmethylene)pyrrolidine Alkaloids.","The Journal of organic chemistry","2015","80","13","6669","6678","10.1021/acs.joc.5b00836","","","0.71073","MoKα","","0.1531","0.0593","","","0.1119","0.1459","","","","","","0.981","","","","has coordinates","152866","2020-10-21","18:00:00",""
"4031125","13.509","0.002","14.199","0.002","21.895","0.003","90","","90","","90","","4199.8","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H29 N O Se -","- C25 H29 N O Se -","- C200 H232 N8 O8 Se8 -","8","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.0362","0.031","","","0.0823","0.0858","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031126","9.993","0.003","8.339","0.003","24.66","0.008","90","","91.37","0.004","90","","2054.4","1.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O S -","- C24 H25 N O S -","- C96 H100 N4 O4 S4 -","4","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.1232","0.0653","","","0.1606","0.2127","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031127","6.9162","0.0002","7.8388","0.0002","9.2345","0.0003","103.149","0.001","106.046","0.002","99.634","0.002","454.13","0.02","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H19 N O Se -","- C22 H19 N O Se -","- C22 H19 N O Se -","1","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.6889","","","0.0565","0.0558","","","0.1389","0.1394","","","","","","1.08","","","","has coordinates","140136","2020-10-21","18:00:00",""
"4031128","12.013","0.004","12.215","0.003","13.938","0.004","90","","105.871","0.004","90","","1967.3","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.1163","0.0682","","","0.1272","0.1526","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031129","8.5697","0.0017","14.922","0.003","9.629","0.003","90","","96.435","0.003","90","","1223.6","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H19 B N4 O5 -","- C9 H19 B N4 O5 -","- C36 H76 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0438","0.0428","","","0.1409","0.1426","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031130","18.8403","0.0004","18.8403","0.0004","9.439","0.0004","90","","90","","90","","3350.44","0.17","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H86 B4 K4 N12 O29 -","- C40 H86 B4 K4 N12 O29 -","- C80 H172 B8 K8 N24 O58 -","2","0.25","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0349","0.0298","","","0.0713","0.0739","","","","","","1","","","","has coordinates,has disorder","140143","2020-10-21","18:00:00",""
"4031131","9.1143","0.0008","11.9915","0.0011","15.5531","0.0014","90","","97.131","0.002","90","","1686.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H25 B N4 O5 -","- C15 H25 B N4 O5 -","- C60 H100 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0428","0.0388","","","0.0935","0.0962","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031132","7.635","0.0008","15.3201","0.0015","23.135","0.002","90","","91.59","0.002","90","","2705","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C128 H96 Cl8 N8 O16 -","8","2","","Chandra Mohan, Darapaneni; Ravi, Chitrakar; Pappula, Venkatanarayana; Adimurthy, Subbarayappa","Synthesis of Indolizines through Oxidative Linkage of C-C and C-N Bonds from 2-Pyridylacetates.","The Journal of organic chemistry","2015","80","13","6846","6855","10.1021/acs.joc.5b00477","","","0.71073","MoKα","","0.1086","0.083","","","0.1599","0.1696","","","","","","1.222","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031133","12.1682","0.0012","10.0256","0.001","17.779","0.0013","90","","120.663","0.005","90","","1865.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Chandra Mohan, Darapaneni; Ravi, Chitrakar; Pappula, Venkatanarayana; Adimurthy, Subbarayappa","Synthesis of Indolizines through Oxidative Linkage of C-C and C-N Bonds from 2-Pyridylacetates.","The Journal of organic chemistry","2015","80","13","6846","6855","10.1021/acs.joc.5b00477","","","0.71073","MoKα","","0.0436","0.0391","","","0.1046","0.1088","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031134","9.5146","0.0005","10.4175","0.0008","22.0011","0.0016","91.882","0.006","95.119","0.005","93.892","0.005","2165.3","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 F O3 S Si -","- C22 H23 F O3 S Si -","- C88 H92 F4 O12 S4 Si4 -","4","2","","Chen, Qiao; Yu, Hongmei; Xu, Zhaoqing; Lin, Li; Jiang, Xianxing; Wang, Rui","Development and Application of O-(Trimethylsilyl)aryl Fluorosulfates for the Synthesis of Arynes.","The Journal of organic chemistry","2015","80","13","6890","6896","10.1021/acs.joc.5b00923","","x-ray","0.71073","MoKα","","0.1422","0.0732","","","0.1572","0.2154","","","","","","1.034","","","","has coordinates","140140","2020-10-21","18:00:00",""
"4031135","4.0706","0.0004","18.1822","0.0013","13.7386","0.0008","90","","94.167","0.006","90","","1014.14","0.14","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 -","- C12 H9 Cl N2 -","- C48 H36 Cl4 N8 -","4","1","","Zhang, Zhiguo; Li, Junlong; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin","Iron-Catalyzed Intramolecular C(sp(2))-N Cyclization of 1-(N-Arylpyrrol-2-yl)ethanone O-Acetyl Oximes toward Pyrrolo[1,2-a]quinoxaline Derivatives.","The Journal of organic chemistry","2015","80","13","6875","6884","10.1021/acs.joc.5b00915","","","1.54184","CuKα","","0.0688","0.0523","","","0.1462","0.1641","","","","","","1.034","","","","has coordinates","140144","2020-10-21","18:00:00",""
"4031136","11.547","0.003","10.075","0.002","14.611","0.003","90","","90.595","0.002","90","","1699.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0426","0.0344","","","0.0859","0.0908","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031137","8.3947","0.0006","11.2061","0.0008","37.337","0.002","90","","90","","90","","3512.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 S -","- C17 H24 O4 S -","- C136 H192 O32 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0477","0.0386","","","0.105","0.1184","","","","","","1.09","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031138","13.3424","0.0004","13.8449","0.0004","19.8273","0.0006","90","","90","","90","","3662.58","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","1.54178","CuKα","","0.0309","0.0305","","","0.0794","0.0797","","","","","","1.063","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031139","9.6603","0.0004","13.1438","0.0004","15.3603","0.001","68.361","0.005","83.034","0.006","77.125","0.005","1765.67","0.16","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 N4 O11 S -","- C33 H43 N4 O11 S -","- C66 H86 N8 O22 S2 -","2","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71075","","","0.0603","0.0545","","","","0.2044","","","","","","1.7193","","","","has coordinates","152865","2020-10-21","18:00:00",""
"4031140","13.0212","0.0003","9.6819","0.0002","39.807","0.003","90","","94.832","0.007","90","","5000.6","0.4","366","2","366","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N4 O10 S -","- C23 H28 N4 O10 S -","- C184 H224 N32 O80 S8 -","8","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54178","CuKα","","0.0529","0.0488","","","0.1311","0.1341","","","","","","1.072","","","","has coordinates","152865","2020-10-21","18:00:00",""
"4031141","11.3485","0.0002","12.9448","0.0002","18.7575","0.0013","90","","94.659","0.007","90","","2746.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 O10 S -","- C25 H32 N4 O10 S -","- C100 H128 N16 O40 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54187","CuKα","","0.0778","0.0655","","","0.1481","0.1561","","","","","","1.017","","","","has coordinates,has disorder","152865","2020-10-21","18:00:00",""
"4031142","9.2452","0.0009","13.4235","0.0013","13.8572","0.0013","90.827","0.006","92.071","0.007","103.914","0.007","1667.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N4 O11 S -","- C32 H42 N4 O11 S -","- C64 H84 N8 O22 S2 -","2","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71075","MoKα","","0.0704","0.0547","","","0.1245","0.1328","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031143","10.2479","0.0002","12.9727","0.0002","20.7998","0.0015","90","","92.979","0.007","90","","2761.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 O10 S -","- C25 H32 N4 O10 S -","- C100 H128 N16 O40 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54187","CuKα","","0.0342","0.0338","","","0.0997","0.1001","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031144","8.7426","0.0016","22.229","0.0015","13.9732","0.0011","90","","107.122","0.01","90","","2595.2","0.6","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H37 N O4 S -","- C27.5 H37 N O4 S -","- C110 H148 N4 O16 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71073","MoKα","","0.0969","0.0746","","","0.1319","0.1413","","","","","","1.105","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031146","21.9809","0.0006","5.6654","0.0001","18.7773","0.0005","90","","94.717","0.001","90","","2330.43","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F17 N O2 S -","- C18 H14 F17 N O2 S -","- C72 H56 F68 N4 O8 S4 -","4","1","","Dzandzi, James P. K.; Beckford Vera, Denis R.; Genady, Afaf R.; Albu, Silvia A.; Eltringham-Smith, Louise J; Capretta, Alfredo; Sheffield, William P.; Valliant, John F.","Fluorous Analogue of Chloramine-T: Preparation, X-ray Structure Determination, and Use as an Oxidant for Radioiodination and s-Tetrazine Synthesis.","The Journal of organic chemistry","2015","80","14","7117","7125","10.1021/acs.joc.5b00988","","","1.54178","CuKα","","0.0774","0.0675","","","0.2093","0.2187","","","","","","1.094","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031147","5.9298","0.0001","9.006","0.0002","44.0769","0.0011","90","","90.116","0.001","90","","2353.87","0.09","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl F17 N O2 S -","- C18 H13 Cl F17 N O2 S -","- C72 H52 Cl4 F68 N4 O8 S4 -","4","1","","Dzandzi, James P. K.; Beckford Vera, Denis R.; Genady, Afaf R.; Albu, Silvia A.; Eltringham-Smith, Louise J; Capretta, Alfredo; Sheffield, William P.; Valliant, John F.","Fluorous Analogue of Chloramine-T: Preparation, X-ray Structure Determination, and Use as an Oxidant for Radioiodination and s-Tetrazine Synthesis.","The Journal of organic chemistry","2015","80","14","7117","7125","10.1021/acs.joc.5b00988","","","1.54178","CuKα","","0.0729","0.0613","","","0.1548","0.1621","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031148","12.5944","0.0004","8.1531","0.0002","13.457","0.0005","90","","94.025","0.002","90","","1378.4","0.08","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /cyclohexanone (1:1)","","- C34 H36 O5 -","- C34 H36 O5 -","- C68 H72 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0488","0.0388","","","0.0986","0.1045","","","","","","1.037","","","","has coordinates","152870","2020-10-21","18:00:00",""
"4031149","10.3843","0.0003","15.2193","0.0003","18.2734","0.0004","90","","90","","90","","2887.96","0.12","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /2-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C140 H152 O20 -","4","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.04","0.0335","","","0.082","0.0862","","","","","","1.03","","","","has coordinates,has disorder","152870","2020-10-21","18:00:00",""
"4031150","12.4493","0.0006","8.2368","0.0004","13.9466","0.0007","90","","95.843","0.002","90","","1422.69","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol/3-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C70 H76 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0532","0.0459","","","0.1269","0.1356","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031151","8.181","0.002","9.952","0.003","10.163","0.003","79.296","0.006","68.813","0.005","65.825","0.005","703.2","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","none","(+)-(2R,3R)-1,1,4,4-tetraphenylbutane-1,2,3,4-tetraol/ 4-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C35 H38 O5 -","1","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0791","0.0515","","","0.1269","0.1338","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031152","5.6115","0.0011","9.994","0.0019","28.653","0.006","90","","90","","90","","1606.9","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Suga, Hiroyuki; Sekikawa, Yurie; Misawa, Shunta; Kinugawa, Daito; Oda, Rinnosuke; Itoh, Kennosuke; Toda, Yasunori; Kiyono, Ryotaro","Chiral Lewis Acid-Catalyzed Enantioselective Cycloadditions between Indoles and Cyclic Carbonyl Ylides Derived from Diazodiketone or Diazoketoester Derivatives.","The Journal of organic chemistry","2015","80","13","6687","6696","10.1021/acs.joc.5b00835","","","0.71073","MoKα","","0.0301","0.0264","","","0.0523","0.0533","","","","","","0.949","","","","has coordinates","140138","2020-10-21","18:00:00",""
"4031153","7.494","0.009","11.707","0.015","34.23","0.04","90","","90","","90","","3003","6","293.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","","Saikia, Pallabi; Gogoi, Sanjib; Boruah, Romesh C.","Carbon-Carbon Bond Cleavage Reaction: Synthesis of Multisubstituted Pyrazolo[1,5-a]pyrimidines.","The Journal of organic chemistry","2015","80","13","6885","6889","10.1021/acs.joc.5b00933","","","0.71075","MoKα","","","0.1085","","","","0.0896","","","","","","6.395","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031154","15.4352","0.0006","11.6815","0.0004","12.8772","0.0005","90","","109.697","0.0012","90","","2185.98","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PRB006","","","- C31 H22 S -","- C31 H22 S -","- C124 H88 S4 -","4","1","","Röse, Philipp; Garcia, Carmen Carlota Magraner; Pünner, Florian; Harms, Klaus; Hilt, Gerhard","Cobalt-Catalyzed Cross-Benzannulation of Conjugated Enynes and Diynes.","The Journal of organic chemistry","2015","80","14","7311","7316","10.1021/acs.joc.5b01198","","","0.71073","MoKα","","0.0368","0.0331","","","0.0817","0.0843","","","","","","1.052","","","","has coordinates","152871","2020-10-21","18:00:00",""
"4031155","11.199","0.0004","12.1908","0.0004","15.6001","0.0005","84.885","0.002","73.475","0.002","67.037","0.001","1879.46","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Furopyrrole","","","- C38 H45 N O12 S -","- C38 H45 N O12 S -","- C76 H90 N2 O24 S2 -","2","1","","Ghosh, Asit; Pandey, Ashok Kumar; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Donor-Acceptor Cyclopropane and N-Tosylaziridinedicarboxylate: One-Step Synthesis of Functionalized 2H-Furo[2,3-c]pyrroles.","The Journal of organic chemistry","2015","80","14","7235","7242","10.1021/acs.joc.5b00705","","","0.71073","MoKα","","0.0783","0.0498","","","0.1164","0.1291","","","","","","1.024","","","","has coordinates","152874","2020-10-21","18:00:00",""
"4031156","4.98554","0.00007","20.3658","0.0004","21.6733","0.0003","90","","90","","90","","2200.59","0.06","293.7","0.2","293.7","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zhang, Shuang; Luo, Yong-Chun; Hu, Xiu-Qin; Wang, Zhu-Yin; Liang, Yong-Min; Xu, Peng-Fei","Enantioselective Amine-Catalyzed [4 + 2] Annulations of Allene Ketones and 2,3-Dioxopyrrolidine Derivatives: Synthesis of 4H-Pyran Derivatives.","The Journal of organic chemistry","2015","80","14","7288","7294","10.1021/acs.joc.5b00961","","","1.5418","CuKα","","0.0391","0.0368","","","0.1032","0.1071","","","","","","1.032","","","","has coordinates","152876","2020-10-21","18:00:00",""
"4031157","15.7456","0.0009","11.6139","0.0003","14.381","0.0007","90","","115.775","0.006","90","","2368.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C96 H112 O32 -","8","2","","Mahendar, Lodi; Satyanarayana, Gedu","Domino One-Pot Process for the Synthesis of Isobenzofuran-1(3H)-ones via [Cu]-Catalysis Using Water as the Green Solvent.","The Journal of organic chemistry","2015","80","14","7089","7098","10.1021/acs.joc.5b00888","","","0.7107","MoKα","","0.147","0.0693","","","0.1808","0.2319","","","","","","1.05","","","","has coordinates","152881","2020-10-21","18:00:00",""
"4031158","12.2544","0.0012","14.9319","0.0015","18.2704","0.0017","90","","106.077","0.01","90","","3212.4","0.6","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","","Mahendar, Lodi; Satyanarayana, Gedu","Domino One-Pot Process for the Synthesis of Isobenzofuran-1(3H)-ones via [Cu]-Catalysis Using Water as the Green Solvent.","The Journal of organic chemistry","2015","80","14","7089","7098","10.1021/acs.joc.5b00888","","","0.7107","MoKα","","0.124817","0.063481","","","","0.188906","","","","","","1.08053","","","","has coordinates","152881","2020-10-21","18:00:00",""
"4031159","15.584","0.002","12.3431","0.0019","13.574","0.002","90","","121.346","0.001","90","","2229.9","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound 5bh","","","- C23 H24 Br N2 O5.5 -","- C23 H24 Br N2 O5.5 -","- C92 H96 Br4 N8 O22 -","4","1","","Di Iorio, Nicola; Righi, Paolo; Ranieri, Silvia; Mazzanti, Andrea; Margutta, Riccardo G.; Bencivenni, Giorgio","Vinylogous Reactivity of Oxindoles Bearing Nonsymmetric 3-Alkylidene Groups.","The Journal of organic chemistry","2015","80","14","7158","7171","10.1021/acs.joc.5b01022","","","0.71073","MoKα","","0.0402","0.0356","","","0.0901","0.0929","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031161","5.7556","0.0012","9.6236","0.0019","20.198","0.004","90","","92.65","0.03","90","","1117.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.0877","0.0714","","","0.1941","0.2074","","","","","","1.255","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031162","12.881","0.003","9.3888","0.0019","20.978","0.004","90","","90","","90","","2537","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl4 N6 -","- C26 H18 Cl4 N6 -","- C104 H72 Cl16 N24 -","4","0.5","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.061","0.0527","","","0.1783","0.1909","","","","","","1.337","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031167","15.15","0.004","15.15","","5.685","0.002","90","","90","","120","","1130","0.5","100","","100","","","","","","","","","3","P 31","P 31","144","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C42 H66 O15 -","3","1","","Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S.","Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development.","The Journal of organic chemistry","2015","80","14","7019","7032","10.1021/acs.joc.5b00632","","x-ray","1.54178","CuKα","","0.121","0.1168","","","0.2844","0.2944","","","","","","1.294","","","","has coordinates","152872","2020-10-21","18:00:00",""
"4031168","6.656","0.0011","15.213","0.003","8.0795","0.0014","90","","102.591","0.009","90","","798.4","0.2","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl N O3 S -","- C16 H16 Cl N O3 S -","- C32 H32 Cl2 N2 O6 S2 -","2","1","","Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S.","Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development.","The Journal of organic chemistry","2015","80","14","7019","7032","10.1021/acs.joc.5b00632","","","1.54184","CuKα","","0.0298","0.0288","","","0.0729","0.0834","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031169","7.1","0.0009","13.5894","0.0018","15.327","0.002","90","","91.601","0.005","90","","1478.2","0.3","140","2","140","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C17 H15 I O2 -","- C17 H15 I O2 -","- C68 H60 I4 O8 -","4","1","","Ravindra, Barnala; Maity, Sanjay; Das, Braja Gopal; Ghorai, Prasanta","Organocatalytic, Enantioselective Synthesis of 1- and 3-Substituted Isochromans via Intramolecular Oxa-Michael Reaction of Alkoxyboronate: Synthesis of (+)-Sonepiprazole.","The Journal of organic chemistry","2015","80","14","7008","7018","10.1021/acs.joc.5b00719","","","0.71073","MoKα","","0.0228","0.0214","","","0.0714","0.074","","","","","","0.671","","","","has coordinates","152875","2020-10-21","18:00:00",""
"4031170","19.5452","0.0004","6.7915","0.00012","17.2517","0.0003","90","","90","","90","","2290.01","0.07","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 O2 S -","- C13 H14 O2 S -","- C104 H112 O16 S8 -","8","1","","Higashimae, Shinya; Tamai, Taichi; Nomoto, Akihiro; Ogawa, Akiya","Selective Thiolative Lactonization of Internal Alkynes Bearing a Hydroxyl Group with Carbon Monoxide and Organic Disulfides Catalyzed by Transition-Metal Complexes.","The Journal of organic chemistry","2015","80","14","7126","7133","10.1021/acs.joc.5b00977","","","0.71075","MoKα","","","0.0413","","","","0.1036","","","","","","1.144","","","","has coordinates","152879","2020-10-21","18:00:00",""
"4031178","8.4161","0.0002","13.3624","0.0003","24.8701","0.0005","90","","90","","90","","2796.87","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N O4 P -","- C32 H32 N O4 P -","- C128 H128 N4 O16 P4 -","4","1","","Zhuang, Yue; He, Yuwei; Zhou, Zihong; Xia, Wang; Cheng, Chuyu; Wang, Meng; Chen, Bin; Zhou, Zhongyuan; Pang, Jiyan; Qiu, Liqin","Synthesis of a Class of Chiral-Bridged Phosphoramidite Ligands and Their Applications in the First Iridium-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatins.","The Journal of organic chemistry","2015","80","14","6968","6975","10.1021/acs.joc.5b00595","","","0.71073","MoKα","","0.0613","0.0377","","","0.0797","0.0906","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031179","6.738","0.0003","10.5506","0.0004","19.1623","0.0008","90","","99.501","0.002","90","","1343.56","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AD-314","","","- C21 H41 N3 O4 Si2 -","- C21 H41 N3 O4 Si2 -","- C42 H82 N6 O8 Si4 -","2","1","","Diez-Martinez, Alba; Kim, Eun-Kyong; Krishnamurthy, Ramanarayanan","Hydrogen-Bonding Complexes of 5-Azauracil and Uracil Derivatives in Organic Medium.","The Journal of organic chemistry","2015","80","14","7066","7075","10.1021/acs.joc.5b00911","","","0.71073","MoKα","","0.0395","0.0359","","","0.099","0.1013","","","","","","1.009","","","","has coordinates","152880","2020-10-21","18:00:00",""
"4031188","9.998","0.002","18.421","0.004","18.701","0.004","90","","101.85","0.03","90","","3370.8","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl I N2 O -","- C17 H14 Cl I N2 O -","- C136 H112 Cl8 I8 N16 O8 -","8","2","","Gazzola, Silvia; Beccalli, Egle M.; Borelli, Tea; Castellano, Carlo; Chiacchio, Maria Assunta; Diamante, Daria; Broggini, Gianluigi","Copper(II)-Catalyzed Alkoxyhalogenation of Alkynyl Ureas and Amides as a Route to Haloalkylidene-Substituted Heterocycles.","The Journal of organic chemistry","2015","80","14","7226","7234","10.1021/acs.joc.5b01227","","","0.71073","MoKα","","0.0634","0.0406","","","0.11","0.1247","","","","","","0.988","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031191","7.8979","0.0002","7.0132","0.0002","27.3048","0.0009","90","","95.306","0.003","90","","1505.92","0.08","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Liu, Xianglei; Li, Bin; Gu, Zhenhua","Palladium-Catalyzed Heck-type Domino Cyclization and Carboxylation to Synthesize Carboxylic Acids by Utilizing Chloroform as the Carbon Monoxide Source.","The Journal of organic chemistry","2015","80","15","7547","7554","10.1021/acs.joc.5b01126","","","1.54184","CuKα","","0.0601","0.0508","","","0.156","0.1644","","","","","","1.078","","","","has coordinates","154691","2020-10-21","18:00:00",""
"4031266","16.7819","0.0004","9.7325","0.0003","25.9139","0.0008","90","","100.705","0.003","90","","4158.9","0.2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 Cl2 N2 O14 -","- C45 H40 Cl2 N2 O14 -","- C180 H160 Cl8 N8 O56 -","4","0.5","","Du, Yu-Liu; Zhu, Yi-Fan; Han, Zhi-Yong","Pd(II)-Catalyzed Cycloisomerization/Dipolar Cycloaddition Cascade of N-Arylnitrone Alkynes with Olefins.","The Journal of organic chemistry","2015","80","15","7732","7738","10.1021/acs.joc.5b00717","","","1.54184","CuKα","","0.0761","0.068","","","0.1878","0.1967","","","","","","1.088","","","","has coordinates","154692","2020-10-21","18:00:00",""
"4031279","20.039","0.0015","5.3151","0.0004","25.268","0.002","90","","90.051","0.003","90","","2691.3","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H22 Br2 N2 O10 Se2 -","- C22 H22 Br2 N2 O10 Se2 -","- C88 H88 Br8 N8 O40 Se8 -","4","2","","Singh, Vijay P.; Poon, Jia-Fei; Butcher, Ray J.; Lu, Xi; Mestres, Gemma; Ott, Marjam Karlsson; Engman, Lars","Effect of a Bromo Substituent on the Glutathione Peroxidase Activity of a Pyridoxine-like Diselenide.","The Journal of organic chemistry","2015","80","15","7385","7395","10.1021/acs.joc.5b00797","","","0.71073","MoKα","","0.0536","0.0492","","","0.1261","0.1309","","","","","","1.085","","","","has coordinates","154682","2020-10-21","18:00:00",""
"4031280","18.5268","0.0006","8.4433","0.0004","16.9773","0.0007","90","","102.391","0.002","90","","2593.85","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br2 N2 O10 Se -","- C22 H22 Br2 N2 O10 Se -","- C88 H88 Br8 N8 O40 Se4 -","4","1","","Singh, Vijay P.; Poon, Jia-Fei; Butcher, Ray J.; Lu, Xi; Mestres, Gemma; Ott, Marjam Karlsson; Engman, Lars","Effect of a Bromo Substituent on the Glutathione Peroxidase Activity of a Pyridoxine-like Diselenide.","The Journal of organic chemistry","2015","80","15","7385","7395","10.1021/acs.joc.5b00797","","","0.71073","MoKα","","0.0759","0.0489","","","0.1056","0.1163","","","","","","1.038","","","","has coordinates","154682","2020-10-21","18:00:00",""
"4031281","6.27393","0.00018","16.0274","0.0005","20.185","0.0005","90","","90","","90","","2029.7","0.1","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br F N O2 -","- C23 H17 Br F N O2 -","- C92 H68 Br4 F4 N4 O8 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","x-ray","1.54184","CuKα","","0.0573","0.0501","","","0.1447","0.1532","","","","","","1.019","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031282","8.1655","0.0003","15.7026","0.0005","20.6676","0.001","90","","90","","90","","2649.99","0.18","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Br3 N3 O -","- C24 H32 Br3 N3 O -","- C96 H128 Br12 N12 O4 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","","1.54184","CuKα","","0.033","0.0305","","","0.074","0.0758","","","","","","1.035","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031283","9.9015","0.0005","13.1057","0.0007","16.6329","0.0009","108.373","0.003","90.458","0.003","102.806","0.003","1990.33","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O5 S -","- C21 H21 N O5 S -","- C84 H84 N4 O20 S4 -","4","2","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of Homoallenyl Amides.","The Journal of organic chemistry","2015","80","15","7604","7612","10.1021/acs.joc.5b01182","","","0.71073","MoKα","","","0.0811","","","0.1492","0.1735","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031284","7.6255","0.0003","9.563","0.0003","13.5894","0.0005","76.619","0.002","81.045","0.002","84.502","0.002","950.48","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C36 H50 N2 O8 S2 -","2","1","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of Homoallenyl Amides.","The Journal of organic chemistry","2015","80","15","7604","7612","10.1021/acs.joc.5b01182","","","0.71073","MoKα","","0.0899","0.0626","","","0.1845","0.2045","","","","","","1.282","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031285","17.0568","0.0011","5.3536","0.0003","18.9471","0.0012","90","","114.21","0.008","90","","1577.99","0.19","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl -","- C21 H17 Cl -","- C84 H68 Cl4 -","4","1","","Xu, Shuai; Shangguan, Xianghang; Li, Huan; Zhang, Yan; Wang, Jianbo","Pd(0)-Catalyzed Cross-Coupling of 1,1-Diboronates with 2,2'-Dibromobiphenyls: Synthesis of 9H-Fluorenes.","The Journal of organic chemistry","2015","80","15","7779","7784","10.1021/acs.joc.5b01100","","","0.7107","MoKα","","0.0605","0.0436","","","0.1041","0.1177","","","","","","1.052","","","","has coordinates","154693","2020-10-21","18:00:00",""
"4031286","9.2909","0.0005","10.2262","0.0006","12.7855","0.0011","95.855","0.003","103.035","0.003","116.158","0.002","1033.68","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N,N-diethyl-5-nitro-2-pyrimidinamine","","","- C8 H11 Cl N4 O2 -","- C8 H11 Cl N4 O2 -","- C32 H44 Cl4 N16 O8 -","4","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.048","0.0476","","","0.1251","0.1256","","","","","","1.039","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031287","6.7981","0.0005","12.5573","0.0008","12.871","0.0009","115.807","0.0015","91.4548","0.0019","91.888","0.002","987.66","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-(4-Chloro-5-nitro-2-pyrimidinyl)morpholine","","","- C8 H9 Cl N4 O3 -","- C8 H9 Cl N4 O3 -","- C32 H36 Cl4 N16 O12 -","4","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54184","CuKα","","0.0292","0.0291","","","0.0779","0.0784","","","","","","1.074","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031288","9.0358","0.0018","18.005","0.004","6.8441","0.0014","90","","110.52","0.03","90","","1042.8","0.4","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-5-nitro-2-(1-piperidinyl)-pyrimidine","","","- C9 H11 Cl N4 O2 -","- C9 H11 Cl N4 O2 -","- C36 H44 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54184","CuKα","","0.0395","0.0371","","","0.0936","0.0943","","","","","","1.168","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031289","4.5744","0.0001","9.2398","0.0003","28.2011","0.0008","90","","92.171","0.002","90","","1191.11","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-(4-chlorobutyl)-N-methyl-5-nitro-2-pyrimidinamine","","","- C9 H12 Cl2 N4 O2 -","- C9 H12 Cl2 N4 O2 -","- C36 H48 Cl8 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0323","0.0296","","","0.0846","0.0864","","","","","","1.192","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031290","5.1161","0.0001","9.4299","0.0003","13.2397","0.0004","73.055","0.001","81.356","0.001","89.632","0.001","603.6","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N-cyclohexyl-N-methyl-5-nitro-2-pyrimidinamine","","","- C11 H15 Cl N4 O2 -","- C11 H15 Cl N4 O2 -","- C22 H30 Cl2 N8 O4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0352","0.0351","","","0.0889","0.0889","","","","","","1.204","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031291","19.71","0.011","3.775","0.002","23.807","0.014","90","","113.106","0.009","90","","1629.3","1.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-Chloro-N,N-dimethyl-5-nitro-2-pyrimidinamine","","","- C6 H7 Cl N4 O2 -","- C6 H7 Cl N4 O2 -","- C48 H56 Cl8 N32 O16 -","8","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.1102","0.0965","","","0.2263","0.232","","","","","","1.208","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031292","9.7969","0.0003","8.3719","0.0003","14.3309","0.0005","90","","108.517","0.002","90","","1114.55","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chloro-N-methyl-N-phenyl-5-nitro-2-pyrimidinamine","","","- C11 H9 Cl N4 O2 -","- C11 H9 Cl N4 O2 -","- C44 H36 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0378","0.0324","","","0.0942","0.0982","","","","","","1.107","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031293","6.0855","0.0003","7.9433","0.0004","10.3049","0.0005","99.743","0.003","106.984","0.003","100.825","0.003","454.42","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N-ethyl-N-methyl-5-nitro-2-pyrimidinamine","","","- C7 H9 Cl N4 O2 -","- C7 H9 Cl N4 O2 -","- C14 H18 Cl2 N8 O4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0402","0.0389","","","0.1022","0.1033","","","","","","1.056","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031294","15.4117","0.0005","4.5895","0.0002","18.8836","0.0006","90","","97.085","0.001","90","","1325.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-benzyl-N-ethyl-5-nitro-2-pyrimidinamine","","","- C13 H13 Cl N4 O2 -","- C13 H13 Cl N4 O2 -","- C52 H52 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0477","0.0467","","","0.1109","0.1114","","","","","","1.254","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031295","6.9943","0.0005","7.3867","0.0005","10.468","0.0007","97.082","0.002","106.868","0.002","92.782","0.002","511.58","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","4-Chloro-2-(diethylamino)pyrimidine-5-carbonitrile","","","- C9 H11 Cl N4 -","- C9 H11 Cl N4 -","- C18 H22 Cl2 N8 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0297","0.0294","","","0.0805","0.0807","","","","","","1.048","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031296","8.8811","0.0008","10.4187","0.0009","24.2","0.002","87.291","0.003","89.811","0.004","79.757","0.004","2201","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N,N-diethyl-5-trifluoromethyl-2-pyrimidinamine","","","- C9 H11 Cl F3 N3 -","- C9 H11 Cl F3 N3 -","- C72 H88 Cl8 F24 N24 -","8","4","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.134","0.1237","","","0.3101","0.3189","","","","","","1.11","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031297","12.0826","0.0007","14.2388","0.0008","18.9958","0.0012","90","","90","","90","","3268.1","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Ethyl 2-(4-morpholinyl)-6-propyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C128 H176 N32 O24 -","8","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.034","0.0322","","","0.0829","0.0842","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031298","8.9883","0.0007","9.2469","0.0007","16.0819","0.0016","99.512","0.002","94.431","0.002","110.498","0.001","1221.51","0.18","121","2","121","2","","","","","","","","5","P -1","-P 1","2","2-[[[4-[4-[(2-Diethylamino-5-nitropyrimidin-4-yl)oxy]phenoxy]phenyl] sulfonyl]methyl]thiirane","","","- C23 H24 N4 O6 S2 -","- C23 H24 N4 O6 S2 -","- C46 H48 N8 O12 S4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0526","0.0433","","","0.1153","0.1223","","","","","","1.03","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031299","6.2113","0.0011","12.992","0.002","16.159","0.003","68.49","0.003","87.806","0.003","83.013","0.004","1204.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2-[[[4-[4-[(2-Diethylamino-5-nitropyrimidin-4-yl)amino] phenoxy]phenyl]sulfonyl]methyl]thiirane","","","- C23 H25 N5 O5 S2 -","- C23 H25 N5 O5 S2 -","- C46 H50 N10 O10 S4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0776","0.0474","","","0.1042","0.1171","","","","","","1.015","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031300","6.6511","0.0004","30.2073","0.0018","12.8484","0.0008","90","","102.15","0.004","90","","2523.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-phenyl-3,4-bis(p-tolylselanyl)-1-oxaspiro[4.5]dec-3-ene","2-phenyl-3,4-bis(p-tolylselanyl)-1-oxaspiro[4.5]dec-3-ene","","- C29 H30 O Se2 -","- C29 H30 O Se2 -","- C116 H120 O4 Se8 -","4","1","","Casola, Kamila K.; Back, Davi F.; Zeni, Gilson","Iron-Catalyzed Cyclization of Alkynols with Diorganyl Diselenides: Synthesis of 2,5-Dihydrofuran, 3,6-Dihydro-2H-pyran, and 2,5-Dihydro-1H-pyrrole Organoselanyl Derivatives.","The Journal of organic chemistry","2015","80","15","7702","7712","10.1021/acs.joc.5b01448","","","0.71073","MoKα","","0.0868","0.0415","","","0.0971","0.1255","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031307","6.9872","0.0007","11.6575","0.0012","11.8586","0.0012","90","","90","","90","","965.92","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Ramesh, Remya; Bell, Vaughn; Twidle, Andrew M.; Gonnade, Rajesh; Reddy, D. Srinivasa","Enantiospecific Synthesis of Both Enantiomers of the Longtailed Mealybug Pheromone and Their Evaluation in a New Zealand Vineyard.","The Journal of organic chemistry","2015","80","15","7785","7789","10.1021/acs.joc.5b01131","","","0.71073","MoKα","","0.0356","0.0329","","","0.0806","0.0824","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031308","6.874","0.001","7.057","0.001","21.567","0.004","95.44","0.03","96.09","0.03","110.21","0.03","966.5","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H24 B F4 N3 O -","- C19 H24 B F4 N3 O -","- C38 H48 B2 F8 N6 O2 -","2","2","","Rafiński, Zbigniew; Kozakiewicz, Anna","Enantioselective Synthesis of Chromanones Bearing Quaternary Substituted Stereocenters Catalyzed by (1R)-Camphor-Derived N-Heterocyclic Carbenes.","The Journal of organic chemistry","2015","80","15","7468","7476","10.1021/acs.joc.5b01029","","","0.71073","MoKα","","0.1616","0.0942","","","0.2468","0.304","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031309","8.2204","0.001","7.1959","0.0009","26.743","0.003","90","","92.96","0.002","90","","1579.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9,10-dimethoxy-4,5-dihydrobenzo[l]acephenanthrylene","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0794","0.0449","","","0.1068","0.1249","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031310","26.103","0.019","9.905","0.007","4.977","0.004","90","","90","","90","","1286.8","1.7","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","benzo[l]acephenanthrylene","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0711","0.0376","","","0.0822","0.0966","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031311","5.8248","0.0002","14.0599","0.0004","14.9651","0.0005","90","","90","","90","","1225.58","0.07","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","5-methylbenzo[c]phenanthrene","","- C19 H14 -","- C19 H14 -","- C76 H56 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","1.54178","CuKα","","0.0294","0.0291","","","0.0762","0.0766","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031312","7.7302","0.0007","8.0355","0.0007","21.3019","0.0018","90","","96.058","0.001","90","","1315.8","0.2","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","4,5-dihydrobenzo[l]acephenanthrylene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0513","0.0409","","","0.1056","0.1136","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031313","11.9858","0.0011","14.5862","0.0014","8.9045","0.0008","90","","97.01","0.001","90","","1545.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-dimethoxy-8-methylbenzo[c]phenanthrene","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0511","0.0391","","","0.1066","0.1169","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031314","6.84","","8.619","","11.394","","99.62","","92.49","","91.05","","661.427","","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C32 H20 N4 O2 S2 -","2","1","","Hayes, Colin O.; Bell, William K.; Cassidy, Benjamin R.; Willson, C. Grant","Synthesis and Characterization of a Two Stage, Nonlinear Photobase Generator.","The Journal of organic chemistry","2015","80","15","7530","7535","10.1021/acs.joc.5b01078","","","0.71075","MoKα","","0.0591","0.0497","","","0.1239","0.1279","","","","","","0.944","","","","has coordinates","154683","2020-10-21","18:00:00",""
"4031315","10.1197","0.0003","10.3678","0.0003","17.2578","0.0005","90","","102.59","0.003","90","","1767.13","0.09","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Pi, Chao; Cui, Xiuling; Wu, Yangjie","Iridium-Catalyzed Direct C-H Sulfamidation of Aryl Nitrones with Sulfonyl Azides at Room Temperature.","The Journal of organic chemistry","2015","80","15","7333","7339","10.1021/acs.joc.5b01377","","","1.54184","CuKα","","0.0511","0.0429","","","0.1162","0.1234","","","","","","1.029","","","","has coordinates","154685","2020-10-21","18:00:00",""
"4031316","5.789","0.0004","11.4354","0.0009","23.674","0.003","90","","90","","90","","1567.2","0.3","100.2","","100.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 F -","- C24 H15 F -","- C96 H60 F4 -","4","1","","Guo, Biao; Zhou, Yiming; Zhang, Lei; Hua, Ruimao","Brønsted Acid-Promoted One-Pot Synthesis of Chrysene Derivatives via Isochromenylium Intermediate Formed in Situ.","The Journal of organic chemistry","2015","80","15","7635","7641","10.1021/acs.joc.5b01219","","","0.7107","MoKα","","0.0443","0.0381","","","0.079","0.0829","","","","","","1.055","","","","has coordinates","154680","2020-10-21","18:00:00",""
"4031317","9.5933","0.001","10.9297","0.0012","11.8168","0.0014","103.578","0.002","103.645","0.002","101.554","0.002","1126.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Li, Peiyuan; Zhang, Xinying; Fan, Xuesen","Synthesis of Naphtho[1',2':4,5]imidazo[1,2-a]pyridines and Imidazo[5,1,2-cd]indolizines Through Pd-Catalyzed Cycloaromatization of 2-Phenylimidazo[1,2-a]pyridines with Alkynes.","The Journal of organic chemistry","2015","80","15","7508","7518","10.1021/acs.joc.5b01092","","","0.71073","MoKα","","0.0709","0.0445","","","0.1049","0.1208","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031318","10.5565","0.0016","9.6319","0.0015","20.534","0.003","90","","100.558","0.003","90","","2052.5","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Li, Peiyuan; Zhang, Xinying; Fan, Xuesen","Synthesis of Naphtho[1',2':4,5]imidazo[1,2-a]pyridines and Imidazo[5,1,2-cd]indolizines Through Pd-Catalyzed Cycloaromatization of 2-Phenylimidazo[1,2-a]pyridines with Alkynes.","The Journal of organic chemistry","2015","80","15","7508","7518","10.1021/acs.joc.5b01092","","","0.71073","MoKα","","0.1096","0.0494","","","0.1115","0.1389","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031319","15.8651","0.0005","15.8651","0.0005","15.0224","0.0005","90","","90","","120","","3274.58","0.18","296","2","296","2","","","","","","","","4","P -3","-P 3","147","ye218","","","- C22 H24 N2 O4.4 -","- C22 H24 N2 O4.5 -","- C132 H144 N12 O27 -","6","1","","Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi","Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.","The Journal of organic chemistry","2015","80","15","7824","7829","10.1021/acs.joc.5b01375","","","0.71073","","","0.1913","0.072","","","0.1744","0.2404","","","","","","0.95","","","","has coordinates","154690","2020-10-21","18:00:00",""
"4031320","14.4913","0.0004","8.9886","0.0002","15.3931","0.0004","90","","107.536","0.0012","90","","1911.87","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SKL-20150302","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","0.5","","Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi","Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.","The Journal of organic chemistry","2015","80","15","7824","7829","10.1021/acs.joc.5b01375","","","0.71073","","","0.0635","0.0498","","","0.1284","0.1392","","","","","","1.043","","","","has coordinates","154690","2020-10-21","18:00:00",""
"4031321","11.829","0.004","11.851","0.003","13.944","0.004","91.376","0.0007","112.221","0.004","106.673","0.004","1714","0.9","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N2 O2 -","- C44 H29 N2 O2 -","- C88 H58 N4 O4 -","2","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0674","","","","0.2062","","","","","","1.123","","","","has coordinates","154695","2020-10-21","18:00:00",""
"4031322","14.404","0.004","40.3302","0.001","14.91","0.004","90","","113.081","0.004","90","","7968","3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H40 N2 O2.5 -","- C48.5 H38 N2 O2.5 -","- C388 H304 N16 O20 -","8","2","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0987","","","","0.2472","","","","","","1.119","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031323","32.283","0.006","32.283","0.006","21.372","0.004","90","","90","","120","","19290","6","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50.67 H38.67 Cl2 N2 O2 -","- C50.6667 H38 Cl2 N2 O2 -","- C912 H684 Cl36 N36 O36 -","18","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.1321","","","","0.2491","","","","","","1.595","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031324","13.226","0.004","20.839","0.006","12.674","0.004","90","","91.091","0.004","90","","3492.5","1.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N2 O2 -","- C46 H38 N2 O2 -","- C184 H152 N8 O8 -","4","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0629","","","","0.1481","","","","","","1.054","","","","has coordinates","154695","2020-10-21","18:00:00",""
"4031325","12.9987","0.0008","10.6699","0.0006","14.9873","0.0009","90","","101.916","0.002","90","","2033.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 -","- C25.91 H25.775 N2 O1.955 -","- C103.64 H103.1 N8 O7.82 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","0.71073","MoKα","","0.0938","0.0543","","","0.1121","0.1258","","","","","","1.03","","","","has coordinates,has disorder","154679","2020-10-21","18:00:00",""
"4031326","8.1742","0.0011","9.0503","0.0012","15.703","0.002","85.672","0.006","75.381","0.006","74.812","0.006","1084.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 F2 N2 O2 -","- C27 H26 F2 N2 O2 -","- C54 H52 F4 N4 O4 -","2","2","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.0662","0.0648","","","0.1744","0.1764","","","","","","1.1","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031327","8.7419","0.0005","14.4943","0.0008","18.8475","0.0011","90","","99.519","0.002","90","","2355.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F6 N2 O2 -","- C27 H22 F6 N2 O2 -","- C108 H88 F24 N8 O8 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.031","0.03","","","0.0749","0.0762","","","","","","1.066","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031328","8.2724","0.0008","30.084","0.003","8.9736","0.0009","90","","103.993","0.003","90","","2167","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H28 N2 O2 -","- C27 H28 N2 O2 -","- C108 H112 N8 O8 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","0.71073","MoKα","","0.0366","0.0349","","","0.0902","0.0918","","","","","","1.038","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031329","7.1474","0.0004","9.7769","0.0005","10.0809","0.0006","67.2457","0.0017","86.5387","0.0019","78.9053","0.0018","637.4","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H7 Br F6 O2 -","- C11 H7 Br F6 O2 -","- C22 H14 Br2 F12 O4 -","2","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.0353","0.0348","","","0.0903","0.0906","","","","","","1.138","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031330","12.1076","0.0002","9.1845","0.0002","11.6826","0.0002","90","","96.033","0.0012","90","","1291.94","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Tharra, Prabhakararao; Baire, Beeraiah","Mild Approach to 2-Acylfurans via Intercepted Meyer-Schuster Rearrangement of 6-Hydroxyhex-2-en-4-ynals.","The Journal of organic chemistry","2015","80","16","8314","8328","10.1021/acs.joc.5b01420","","","0.71073","MoKα","","0.051","0.0438","","","0.1146","0.122","","","","","","1.024","","","","has coordinates","154698","2020-10-21","18:00:00",""
"4031331","7.20516","0.00013","10.1306","0.0002","19.4721","0.0003","90","","90","","90","","1421.32","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Wauters, I.; Goossens, H.; Delbeke, E.; Muylaert, K.; Roman, B. I.; Van Hecke, K.; Van Speybroeck, V.; Stevens, C. V.","Beyond the Diketopiperazine Family with Alternatively Bridged Brevianamide F Analogues.","The Journal of organic chemistry","2015","80","16","8046","8054","10.1021/acs.joc.5b01161","","","1.5418","CuKα","","0.0286","0.0273","","","0.0705","0.0716","","","","","","1.032","","","","has coordinates","154704","2020-10-21","18:00:00",""
"4031332","15.3163","0.0006","10.7987","0.0004","24.928","0.0012","90","","90","","90","","4123","0.3","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Fe O3 -","- C25 H26 Fe O3 -","- C200 H208 Fe8 O24 -","8","1","","He, Congfa; Wang, Jie; Gu, Zhenhua","BF3·OEt2-Promoted Synthesis of 2,3-Metallocenocyclohexanones: A 1,2-Hydride Shift and Cationic Cyclization Strategy.","The Journal of organic chemistry","2015","80","16","7865","7875","10.1021/acs.joc.5b01511","","","0.71073","MoKα","","0.0768","0.0435","","","0.1164","0.1449","","","","","","1.063","","","","has coordinates","154699","2020-10-21","18:00:00",""
"4031333","8.4016","0.0005","9.9253","0.0006","10.5431","0.0007","90","","97.2928","0.0009","90","","872.06","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.0407","0.0368","","","0.0868","0.09","","","","","","1.03","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031334","8.5648","0.0004","9.8551","0.0005","11.1777","0.0005","90","","98.4207","0.0007","90","","933.3","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O -","- C24 H23 N O -","- C48 H46 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.049","0.0442","","","0.1144","0.1185","","","","","","1.082","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031335","17.079","0.004","9.87","0.002","23.448","0.006","90","","109.51","0.03","90","","3725.7","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 S -","- C22 H19 N3 S -","- C176 H152 N24 S8 -","8","1","","Sun, Jun; Qiu, Jiang-Kai; Zhu, Yi-Long; Guo, Cheng; Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang","Metal-Free Iodine-Catalyzed Synthesis of Fully Substituted Pyrazoles and Its Sulphenylation.","The Journal of organic chemistry","2015","80","16","8217","8224","10.1021/acs.joc.5b01280","","","0.71073","MoKα","","0.2014","0.0747","","","0.0906","0.1334","","","","","","0.97","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031336","15.3818","0.0004","6.9603","0.0002","15.6549","0.0004","90","","119.293","0.001","90","","1461.73","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-dibromo-4-(2,4-dinitrostyryl)phenol","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.0448","0.0279","","","0.0624","0.0682","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031337","17.2796","0.0004","7.1834","0.0002","14.5636","0.0003","90","","94.517","0.001","90","","1802.11","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-dichloro-4-(2,4-dinitrostyryl)phenol","","- C17 H14 Cl2 N2 O6 -","- C17 H14 Cl2 N2 O6 -","- C68 H56 Cl8 N8 O24 -","4","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.042","0.0341","","","0.092","0.0989","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031338","6.9348","0.0002","7.8591","0.0002","15.3115","0.0003","81.896","0.001","77.827","0.001","64.116","0.001","732.76","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-6,-dimehyl-4-(2,4-dinitrostyryl)phenol","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.0715","0.0561","","","0.1736","0.1918","","","","","","1.068","","","","has coordinates","154697","2020-10-21","18:00:00",""
"4031339","5.839","0.0011","7.548","0.0014","24.921","0.005","90","","90","","90","","1098.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Zhang, Lijun; Tu, Bing; Ge, Min; Li, Yimei; Chen, Liangyu; Wang, Wei; Zhou, Shuangliu","Asymmetric Addition of Pyridyl Aluminum Reagents to Aldehydes Catalyzed by a Titanium(IV) Catalytic System of (R)-H8-BINOLate.","The Journal of organic chemistry","2015","80","16","8307","8313","10.1021/acs.joc.5b01410","","","0.71073","MoKα","","0.0614","0.0404","","","0.0999","0.1087","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031340","22.518","0.005","6.2369","0.0011","21.082","0.005","90","","109.938","0.007","90","","2783.3","1","267.5","","267.5","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C152 H96 O24 -","8","1","","Kang, Byungsoo; Lee, Min Hyung; Kim, Mijung; Hwang, Jungwoon; Kim, Hyeong Baik; Chi, Dae Yoon","Transition-Metal-Free Synthesis of 2-Substituted Methyl Benzo[b]furan-3-carboxylates.","The Journal of organic chemistry","2015","80","16","8254","8261","10.1021/acs.joc.5b01311","","","0.71073","MoKα","","0.0694","0.0426","","","0.0917","0.1038","","","","","","1.051","","","","has coordinates","154705","2020-10-21","18:00:00",""
"4031341","17.2205","0.0017","14.5659","0.0013","12.0921","0.0011","90","","116.552","0.002","90","","2713.2","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Wang, Jian-Jun; Feng, Xian; Xun, Zhan; Shi, Da-Qing; Huang, Zhi-Bin","Multicomponent Strategy to Pyrazolo[3,4-e]indolizine Derivatives under Microwave Irradiation.","The Journal of organic chemistry","2015","80","16","8435","8442","10.1021/acs.joc.5b01314","","","0.71073","MoKα","","0.1534","0.0768","","","0.1879","0.218","","","","","","1.12","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031342","15.3429","0.0008","6.5112","0.0004","18.447","0.0009","90","","104.72","0.005","90","","1782.38","0.17","150.02","0.1","150.02","0.1","","","","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","PhBTP","2,6-bis(6-phenyl-1,2,4-triazin-3-yl)pyridine","","- C23 H15 N7 -","- C23 H15 N7 -","- C92 H60 N28 -","4","0.5","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","0.71073","MoKα","","0.0571","0.0445","","","0.1136","0.1225","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031343","26.786","0.003","6.1087","0.0005","32.53","0.004","90","","97.922","0.01","90","","5272","1","150.03","0.1","150.03","0.1","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","PhBTPhen","2,9-bis(6-phenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline","","- C33 H25 N9 O -","- C33 H25 N8.922 O -","- C264 H200 N71.376 O8 -","8","1","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","0.71073","MoKα","","0.1463","0.1048","","","0.2177","0.2377","","","","","","1.183","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031344","8.2989","0.0004","10.3062","0.0005","10.3246","0.0005","72.166","0.005","86.199","0.004","73.29","0.004","804.9","0.07","100","2","100","2","","","","","","","synthesis","4","P -1","-P 1","2","E-INPH","(1E,2E)-2-hydrazono-1-phenylethanone oxime","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","2","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","1.54184","CuKα","","0.0443","0.0388","","","0.1045","0.1101","","","","","","1.046","","","","has coordinates","154712","2020-10-21","18:00:00",""
"4031345","8.6796","0.0008","9.6049","0.0009","10.2306","0.0009","64.897","0.001","77.044","0.001","70.121","0.001","723.1","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H0 I -","- C20 H13 I -","- C40 H26 I2 -","2","1","","Pati, Kamalkishore; Michas, Christopher; Allenger, David; Piskun, Ilya; Coutros, Peter S.; Gomes, Gabriel Dos Passos; Alabugin, Igor V.","Synthesis of Functionalized Phenanthrenes via Regioselective Oxidative Radical Cyclization.","The Journal of organic chemistry","2015","80","23","11706","11717","10.1021/acs.joc.5b01014","","","0.71073","MoKα","","0.02","0.0192","","","0.0499","0.0504","","","","","","1.067","","","","has coordinates","170819","2020-10-21","18:00:00",""
"4031346","8.9434","0.0003","14.4008","0.0004","12.7837","0.0004","90","","93.624","0.002","90","","1643.15","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","2","","You, Yong; Wu, Zhi-Jun; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective Synthesis of 3,3-Disubstituted Oxindoles Bearing Two Different Heteroatoms at the C3 Position by Organocatalyzed Sulfenylation and Selenenylation of 3-Pyrrolyl-oxindoles.","The Journal of organic chemistry","2015","80","16","8470","8477","10.1021/acs.joc.5b01491","","","0.71073","MoKα","","0.046","0.0367","","","0.0825","0.0878","","","","","","1.024","","","","has coordinates","154696","2020-10-21","18:00:00",""
"4031347","6.0708","0.0003","16.5232","0.001","15.1156","0.0009","90","","95.019","0.002","90","","1510.42","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B F4 N -","- C17 H16 B F4 N -","- C68 H64 B4 F16 N4 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0775","0.047","","","0.1068","0.1229","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031348","12.5113","0.0008","7.8864","0.0005","16.105","0.001","90","","102.199","0.0017","90","","1553.19","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 B F4 N O -","- C17 H16 B F4 N O -","- C68 H64 B4 F16 N4 O4 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.065","0.0512","","","0.1119","0.1193","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031349","14.1238","0.0006","7.9707","0.0004","15.8261","0.0007","90","","109.116","0.0013","90","","1683.4","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 B F4 N2 -","- C19 H17 B F4 N2 -","- C76 H68 B4 F16 N8 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0524","0.0355","","","0.0809","0.0884","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031350","7.6174","0.0004","8.8763","0.0005","15.4323","0.0007","90","","117.703","0.002","90","","923.83","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H21 B F4 N2 -","- C21 H21 B F4 N2 -","- C42 H42 B2 F8 N4 -","2","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.033","0.0308","","","0.0779","0.0798","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031351","9.3452","0.0006","8.5145","0.0005","16.845","0.0011","90","","105.795","0.0019","90","","1289.74","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0534","0.0413","","","0.1045","0.1127","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031354","9.6233","0.0007","10.8425","0.0005","14.8348","0.0011","70.176","0.005","72.274","0.006","76.538","0.005","1372.44","0.17","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 Si3 -","- C28 H36 Si3 -","- C56 H72 Si6 -","2","1","","Wei, Baosheng; Li, Heng; Yin, Jianhao; Zhang, Wen-Xiong; Xi, Zhenfeng","Reaction of Dilithio Reagents with PhSiH3: Formation of Siloles and 3-Silacyclopentenes.","The Journal of organic chemistry","2015","80","17","8758","8762","10.1021/acs.joc.5b01595","","","0.71073","MoKα","","0.0748","0.0478","","","0.1065","0.1231","","","","","","1.04","","","","has coordinates","154713","2020-10-21","18:00:00",""
"4031355","8.7839","0.0005","9.3731","0.0006","13.6419","0.001","90","","107.534","0.002","90","","1070.99","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O -","- C14 H16 O -","- C56 H64 O4 -","4","1","","Wang, Junpeng; Kouznetsova, Tatiana B.; Niu, Zhenbin; Rheingold, Arnold L.; Craig, Stephen L.","Accelerating a Mechanically Driven anti-Woodward-Hoffmann Ring Opening with a Polymer Lever Arm Effect.","The Journal of organic chemistry","2015","80","23","11895","11898","10.1021/acs.joc.5b01465","","","0.71073","MoKα","","0.0927","0.0655","","","0.1643","0.1828","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031356","9.766","0.005","9.766","0.005","51.01","0.02","90","","90","","90","","4865","4","273","2","273","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C208 H216 N8 O40 -","8","1","","Zheng, Jianfeng; Lin, Lili; Fu, Kai; Zheng, Haifeng; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Optically Pure Spiro[cyclohexane-oxindoline] Derivatives via Catalytic Asymmetric Diels-Alder Reaction of Brassard-Type Diene with Methyleneindolines.","The Journal of organic chemistry","2015","80","17","8836","8842","10.1021/acs.joc.5b01318","","","0.71073","MoKα","","0.0955","0.0635","","","0.1669","0.1886","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031357","12.797","0.003","7.8816","0.0016","15.067","0.003","90","","100.95","0.03","90","","1492","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Li, Jianxiao; Wu, Wanqing","Cu-Catalyzed Three-Component Cascade Annulation Reaction: An Entry to Functionalized Pyridines.","The Journal of organic chemistry","2015","80","17","8763","8771","10.1021/acs.joc.5b01621","","","0.71073","MoKα","","0.0697","0.043","","","0.1264","0.1709","","","","","","1.049","","","","has coordinates","154714","2020-10-21","18:00:00",""
"4031360","17.0691","0.0013","7.8183","0.0004","20.8356","0.0016","90","0.0007","112.602","0.0008","90","0.0007","2567","0.3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H28 N4 O -","- C33 H28 N4 O -","- C132 H112 N16 O4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0551","0.053","","","0.1574","0.1596","","","","","","1.151","","","","has coordinates","160548","2020-10-21","18:00:00",""
"4031361","10.8505","0.0008","23.1924","0.0011","13.1895","0.0009","90","0.0007","100.181","0.0007","90","0.0007","3266.9","0.4","168","2","168","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl2 N4 O2 S -","- C38 H30 Cl2 N4 O2 S -","- C152 H120 Cl8 N16 O8 S4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0816","0.08","","","0.1404","0.1411","","","","","","1.283","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031362","11.017","0.002","10.63","0.002","14.191","0.003","90","","94.18","0.03","90","","1657.5","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Wan, Jie-Ping; Cao, Shuo; Liu, Yunyun","A Metal- and Azide-Free Multicomponent Assembly toward Regioselective Construction of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2015","80","18","9028","9033","10.1021/acs.joc.5b01121","","","0.71073","MoKα","","0.0743","0.0433","","","0.1032","0.1529","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031487","6.2831","0.0003","11.0852","0.0006","21.113","0.0011","90","","92.069","0.003","90","","1469.55","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl2 N3 S -","- C14 H9 Cl2 N3 S -","- C56 H36 Cl8 N12 S4 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K.","Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.","The Journal of organic chemistry","2015","80","18","9016","9027","10.1021/acs.joc.5b00956","","","0.71073","MoKα","","0.088","0.0567","","","0.1652","0.1814","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031488","5.9017","0.0002","14.1916","0.0004","16.0475","0.0004","90","","92.732","0.002","90","","1342.52","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K.","Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.","The Journal of organic chemistry","2015","80","18","9016","9027","10.1021/acs.joc.5b00956","","","0.71073","MoKα","","0.0653","0.0454","","","0.1489","0.1631","","","","","","1.121","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031489","14.36","0.003","14.521","0.003","18.49","0.004","96.865","0.006","102.787","0.006","103.857","0.005","3589.4","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C145.43 H137.07 Cl17.36 N18 O3.21 Zn2 -","- C145.428 H137.07 Cl17.358 N18 O3.214 Zn2 -","- C145.428 H137.07 Cl17.358 N18 O3.214 Zn2 -","1","0.5","","Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng","Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.","The Journal of organic chemistry","2015","80","18","9360","9364","10.1021/acs.joc.5b01781","","","0.71073","MoKα","","0.2515","0.099","","","0.1919","0.2415","","","","","","1.006","","","","has coordinates,has disorder","160549","2020-10-21","18:00:00",""
"4031490","14.171","0.003","14.945","0.003","17.378","0.003","93.35","0.03","111.87","0.03","115.3","0.03","2982.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C117.72 H89.72 Cl17.16 N18 Zn2 -","- C117.72 H89.72 Cl17.16 N18 Zn2 -","- C117.72 H89.72 Cl17.16 N18 Zn2 -","1","0.5","","Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng","Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.","The Journal of organic chemistry","2015","80","18","9360","9364","10.1021/acs.joc.5b01781","","","0.72","synchrotron","","0.1113","0.0819","","","0.2381","0.2696","","","","","","1.047","","","","has coordinates,has disorder","160549","2020-10-21","18:00:00",""
"4031504","8.7135","0.0003","13.2562","0.0004","14.5624","0.0005","90","","105.533","0.004","90","","1620.64","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F3 -","- C20 H21 F3 -","- C80 H84 F12 -","4","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Acid-Promoted Reaction of Trifluoromethylated Allyl Alcohols with Arenes. Stereoselective Synthesis of CF3-Alkenes and CF3-Indanes.","The Journal of organic chemistry","2015","80","19","9506","9517","10.1021/acs.joc.5b01398","","","1.54184","CuKα","","0.0517","0.0415","","","0.0918","0.0995","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031525","7.5626","0.0004","8.2241","0.0004","11.3238","0.0006","92.818","0.001","104.129","0.002","113.802","0.001","616.18","0.06","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Cl N2 O3 -","- C13 H11 Cl N2 O3 -","- C26 H22 Cl2 N4 O6 -","2","1","","Provencher, Philip A.; Love, Jennifer A.","Synthesis and Performance of a Biomimetic Indicator for Alkylating Agents.","The Journal of organic chemistry","2015","80","19","9603","9609","10.1021/acs.joc.5b01584","","","0.71069","MoKα","","0.0405","0.0364","","","0.095","0.0983","","","","","","1.042","","","","has coordinates","160552","2020-10-21","18:00:00",""
"4031526","9.201","0.0018","9.605","0.0019","9.688","0.0019","105.73","0.03","101.83","0.03","107.8","0.03","744.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br N2 O -","- C17 H16 Br N2 O -","- C34 H32 Br2 N4 O2 -","2","1","","Chang, Yong-Zhi; Li, Ming-Lei; Zhao, Wen-Feng; Wen, Xiaoan; Sun, Hongbin; Xu, Qing-Long","Construction of Oxadiazepines via Lewis Acid-Catalyzed Tandem 1,5-Hydride Shift/Cyclization.","The Journal of organic chemistry","2015","80","19","9620","9627","10.1021/acs.joc.5b01609","","","0.71073","MoKα","","0.1188","0.068","","","0.1493","0.1683","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031527","7.7272","0.0003","21.2361","0.0009","25.093","0.001","90","","90","","90","","4117.7","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C184 H272 O32 -","8","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0517","0.0396","","","0.1033","0.1122","","","","","","1.033","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031528","6.567","0.003","11.997","0.004","12.947","0.004","79.817","0.014","77.04","0.015","76.642","0.015","958.7","0.6","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0706","0.0491","","","0.1421","0.1707","","","","","","0.718","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031529","22.8946","0.0012","10.9943","0.0005","7.9823","0.0005","90","","95.103","0.002","90","","2001.26","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.082","0.0577","","","0.1622","0.1789","","","","","","1.048","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031532","8.5712","0.0007","9.4277","0.0008","11.6959","0.0009","102.743","0.002","93.346","0.002","96.979","0.002","911.45","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trifluormethilamide like-cumeno system","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C42 H40 F6 N2 O8 -","2","1","","Rossini, Allan F. C.; Muraca, Ana Carolina A.; Casagrande, Gleison A.; Raminelli, Cristiano","Total Syntheses of Aporphine Alkaloids via Benzyne Chemistry: An Approach to the Formation of Aporphine Cores.","The Journal of organic chemistry","2015","80","20","10033","10040","10.1021/acs.joc.5b01634","","","1.54178","CuKα","","0.0437","0.0434","","","0.1167","0.1168","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031533","22.779","0.006","12.654","0.003","18.025","0.005","90","","90.008","0.004","90","","5196","2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C15Npcage","","","- C55 H96 Si2 -","- C55 H96 Si2 -","- C220 H384 Si8 -","4","1","","Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.","The Journal of organic chemistry","2015","80","20","9959","9966","10.1021/acs.joc.5b01489","","","0.71073","MoKα","","0.1453","0.1058","","","0.259","0.2935","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031534","13.028","0.009","18.089","0.013","25.708","0.018","74.702","0.012","83.371","0.015","89.177","0.015","5804","7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","C17Npcage","","","- C61 H108 Si2 -","- C61 H108 Si2 -","- C244 H432 Si8 -","4","2","","Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.","The Journal of organic chemistry","2015","80","20","9959","9966","10.1021/acs.joc.5b01489","","","0.71073","MoKα","","0.5361","0.1874","","","0.41","0.574","","","","","","0.885","","","","has coordinates,has disorder","170089","2020-10-21","18:00:00",""
"4031540","15.5042","0.0002","13.5571","0.0002","23.441","0.0004","90","","109.255","0.001","90","","4651.49","0.12","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H15 Cl2 I -","- C30 H15 Cl2 I -","- C240 H120 Cl16 I8 -","8","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0597","0.0404","","","0.0926","0.1011","","","","","","1.027","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031541","11.6133","0.0003","12.2509","0.0003","12.4055","0.0003","85.569","0.001","76.759","0.001","71.624","0.001","1630.42","0.07","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P -1","-P 1","2","","","","- C24 H14 -","- C24 H14 -","- C96 H56 -","4","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0556","0.0439","","","0.109","0.1169","","","","","","1.035","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031542","9.0476","0.0004","11.7771","0.0006","13.5039","0.0007","94.119","0.002","102.219","0.0019","111.081","0.0018","1294.8","0.11","150","2","150","2","","","","","","","synthesized by dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C60 H46 Cl4 Si2 -","- C60 H46 Cl4 Si2 -","- C60 H46 Cl4 Si2 -","1","0.5","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.049","0.0451","","","0.1149","0.1181","","","","","","1.029","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031543","9.9671","0.0008","13.0196","0.0013","17.0747","0.0014","90","","104.557","0.004","90","","2144.6","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 Br -","- C30 H17 Br -","- C120 H68 Br4 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0475","0.031","","","0.0629","0.0676","","","","","","1.02","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031544","13.3977","0.0008","25.4142","0.0017","8.1013","0.0006","90","","96.447","0.003","90","","2741","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C136 H104 N8 O16 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0969","0.0618","","","0.1552","0.1799","","","","","","1.033","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031545","8.9567","0.0003","11.8107","0.0004","22.4244","0.0008","98.4355","0.0015","90.6462","0.0015","90.2978","0.0015","2346.29","0.14","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C23 H14 O -","- C23 H13.6667 O -","- C138 H82 O6 -","6","3","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.1019","0.0911","","","0.2009","0.2057","","","","","","1.181","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031546","15.8116","0.0007","19.4172","0.001","13.1694","0.0006","90","","112.85","0.002","90","","3725.9","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Br2 -","- C24 H14 Br2 -","- C192 H112 Br16 -","8","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0628","0.0367","","","0.0725","0.0795","","","","","","1.019","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031547","15.7725","0.001","20.2392","0.0013","8.0195","0.0005","90","","93.758","0.003","90","","2554.5","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Br2 Si -","- C29 H22 Br2 Si -","- C116 H88 Br8 Si4 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0754","0.0502","","","0.129","0.1407","","","","","","1.058","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031548","8.1007","0.0007","15.4383","0.0014","22.617","0.002","97.056","0.007","92.982","0.006","100.618","0.007","2750.9","0.4","100","2","100","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C71.5 H60 O5 -","- C71.5 H60 O5 -","- C143 H120 O10 -","2","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.7749","synchrotron","","0.1384","0.096","","","0.2689","0.303","","","","","","1.124","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4031554","9.6378","0.0005","10.0839","0.0005","10.0864","0.0005","90.206","0.004","103.919","0.003","115.144","0.003","855.05","0.08","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C32 H50 N2 O12 -","2","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0465","","","","0.1223","","","","","","1.047","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031555","7.012","0.0002","9.5343","0.0003","21.2709","0.0008","90","","93.439","0.003","90","","1419.49","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0449","","","","0.1191","","","","","","1.094","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031556","5.8068","0.0003","9.2151","0.0004","16.0074","0.0006","98.259","0.003","92.438","0.003","92.623","0.003","845.74","0.07","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0624","","","","0.218","","","","","","1.142","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031559","6.181","0.004","7.296","0.004","14.295","0.009","104.493","0.019","92.4","0.03","101.853","0.019","607.9","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C24 H24 Cl2 N2 O6 -","2","1","","Xing, Linlin; Li, Chunbao","Stereoselective Chlorination and Bromination of Enamides and Enamines via an Electrostatic Attraction Effect Using (1,1-Diacetoxyiodo)benzene and a Halide Source.","The Journal of organic chemistry","2015","80","20","10000","10008","10.1021/acs.joc.5b01603","","","0.71073","MoKα","","0.0596","0.0482","","","0.1389","0.1494","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031560","10.4443","0.0004","17.7411","0.0008","12.8612","0.0007","90","","92.33","0.004","90","","2381.12","0.19","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Zhu, Yu-Qin; Dong, Lin","One-Pot Synthesis of Polysubstituted Spirofluorene-Indene via Ru(II)-Catalyzed [3 + 2] Annulation and Intramolecular Friedel-Crafts Cyclization.","The Journal of organic chemistry","2015","80","20","9973","9979","10.1021/acs.joc.5b01517","","","0.71073","MoKα","","0.0687","0.0457","","","0.104","0.1187","","","","","","1.036","","","","has coordinates","170094","2020-10-21","18:00:00",""
"4031615","11.7583","0.0008","12.9661","0.0008","13.8658","0.0009","101.971","0.003","93.135","0.004","116.661","0.003","1821.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H0 N O S -","- C23 N O S -","- C92 N4 O4 S4 -","4","2","","Tang, Jiaming; Xu, Bingqing; Mao, Xi; Yang, Hongyan; Wang, Xiaoxia; Lv, Xin","One-Pot Synthesis of Pyrrolo[3,2,1-kl]phenothiazines through Copper-Catalyzed Tandem Coupling/Double Cyclization Reaction.","The Journal of organic chemistry","2015","80","21","11108","11114","10.1021/acs.joc.5b01745","","","0.71073","MoKα","","0.2071","0.172","","","0.3781","0.3915","","","","","","1.267","","","","has coordinates","170816","2020-10-21","18:00:00",""
"4031702","10.0335","0.0009","12.8124","0.0012","15.7773","0.0014","91.419","0.004","106.952","0.004","91.256","0.004","1938.6","0.3","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H47 O9 -","- C46 H47 O9 -","- C92 H94 O18 -","2","1","","Hong, Kenneth K. C.; Ball, Graham E.; Black, David StC; Kumar, Naresh","The Mosaic of Rottlerin.","The Journal of organic chemistry","2015","80","21","10668","10674","10.1021/acs.joc.5b01827","","","0.71073","MoKα","","0.0927","0.0589","","","0.1624","0.1838","","","","","","1.053","","","","has coordinates,has disorder","170815","2020-10-21","18:00:00",""
"4031703","16.4146","0.001","7.1564","0.0005","21.2383","0.0013","90","","102.908","0.003","90","","2431.8","0.3","150","2","150.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O9 -","- C28 H34 O9 -","- C112 H136 O36 -","4","1","","Hong, Kenneth K. C.; Ball, Graham E.; Black, David StC; Kumar, Naresh","The Mosaic of Rottlerin.","The Journal of organic chemistry","2015","80","21","10668","10674","10.1021/acs.joc.5b01827","","","0.71073","MoKα","","0.06","0.0443","","","0.1192","0.1317","","","","","","1.044","","","","has coordinates","170815","2020-10-21","18:00:00",""
"4031713","21.032","0.003","29.029","0.005","21.783","0.003","90","","93.949","0.003","90","","13268","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H42.5 Cl7.5 S14 Si5 -","- C46.5 H42.5 Cl7.5 S14 Si5 -","- C372 H340 Cl60 S112 Si40 -","8","2","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.2095","0.0925","","","0.1852","0.2344","","","","","","1.113","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031714","11.792","0.005","13.295","0.005","44.329","0.018","90","","90","","90","","6950","5","296","2","296.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C51.3 H47.3 Cl21.9 S14 Si5 -","- C44 H40 S14 Si5 -","- C88 H80 S28 Si10 -","2","0.25","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.118","0.0877","","","0.2543","0.2685","","","","","","1.027","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4031715","12.846","0.005","10.521","0.004","20.355","0.007","90","","103.438","0.006","90","","2675.7","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 S7 Si2 -","- C22 H22 S7 Si2 -","- C88 H88 S28 Si8 -","4","1","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.0516","0.0371","","","0.108","0.124","","","","","","0.822","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031716","6.0282","0.0003","14.1182","0.0006","18.3287","0.0013","90","","90","","90","","1559.91","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N2 O3 S -","- C13 H24 N2 O3 S -","- C52 H96 N8 O12 S4 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","0.71073","MoKα","","0.026","0.0257","","","0.0664","0.0667","","","","","","1.03","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031717","6.0165","0.0005","26.965","0.002","10.5795","0.0009","90","","95.344","0.003","90","","1708.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N2 O3 -","- C17 H23 N2 O3 -","- C68 H92 N8 O12 -","4","2","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0412","0.0373","","","0.0944","0.0975","","","","","","1.04","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031718","9.2507","0.0013","9.5787","0.0012","17.633","0.002","90","","90","","90","","1562.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N2 O3 -","- C14 H25 N2 O3 -","- C56 H100 N8 O12 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0705","0.0644","","","0.1805","0.1904","","","","","","1.036","","","","has coordinates,has disorder","170817","2020-10-21","18:00:00",""
"4031719","9.713","0.0002","9.7647","0.0002","16.4938","0.0003","90","","94.827","0.001","90","","1558.8","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Wang, Chun-Chieh; Ku, Yi-Chen; Chuang, Gary Jing","Photoinduced Decarbonylative Rearrangement of Bicyclo[2.2.2]Octenones: Synthesis of the Marasmane Skeleton.","The Journal of organic chemistry","2015","80","21","10979","10991","10.1021/acs.joc.5b02140","","","0.71073","MoKα","","0.0642","0.0425","","","0.0931","0.1033","","","","","","1.06","","","","has coordinates","170818","2020-10-21","18:00:00",""
"4031720","11.5436","0.0004","9.1664","0.0003","14.9308","0.0005","90","","94.259","0.002","90","","1575.51","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Wang, Chun-Chieh; Ku, Yi-Chen; Chuang, Gary Jing","Photoinduced Decarbonylative Rearrangement of Bicyclo[2.2.2]Octenones: Synthesis of the Marasmane Skeleton.","The Journal of organic chemistry","2015","80","21","10979","10991","10.1021/acs.joc.5b02140","","","0.71073","MoKα","","0.1115","0.054","","","0.1306","0.1585","","","","","","1.028","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031722","14.661","0.003","8.186","0.0012","12.112","0.002","90","","108.7","0.02","90","","1376.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N S -","- C18 H13 N S -","- C72 H52 N4 S4 -","4","1","","Kumar, Sonu; Cruz-Hernández, Carlos; Pal, Shilpi; Saunthwal, Rakesh K.; Patel, Monika; Tiwari, Rakesh K.; Juaristi, Eusebio; Verma, Akhilesh K.","Tandem Approach to Benzothieno- and Benzofuropyridines from o-Alkynyl Aldehydes via Silver-Catalyzed 6-endo-dig Ring Closure.","The Journal of organic chemistry","2015","","","","","10.1021/acs.joc.5b01647","","","0.71073","MoKα","","0.104","0.0669","","","0.1522","0.1757","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031723","8.749","0.005","10.924","0.006","11.952","0.007","104.251","0.01","92.232","0.01","101.63","0.01","1079.7","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C48 H52 N4 O6 -","2","1","","Miranda, Luis D.; Hernández-Vázquez, Eduardo","Multicomponent/Palladium-Catalyzed Cascade Entry to Benzopyrrolizidine Derivatives: Synthesis and Antioxidant Evaluation.","The Journal of organic chemistry","2015","80","21","10611","10623","10.1021/acs.joc.5b01742","","","0.71073","MoKα","","0.1515","0.0843","","","0.2167","0.2647","","","","","","1.015","","","","has coordinates,has disorder","170812","2020-10-21","18:00:00",""
"4031724","8.4979","0.0006","12.5318","0.0009","24.3558","0.0017","90","","99.218","0.002","90","","2560.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl N2 O5 -","- C27 H31 Cl N2 O5 -","- C108 H124 Cl4 N8 O20 -","4","1","","Miranda, Luis D.; Hernández-Vázquez, Eduardo","Multicomponent/Palladium-Catalyzed Cascade Entry to Benzopyrrolizidine Derivatives: Synthesis and Antioxidant Evaluation.","The Journal of organic chemistry","2015","80","21","10611","10623","10.1021/acs.joc.5b01742","","","0.71073","MoKα","","0.0855","0.0534","","","0.1283","0.1483","","","","","","1.029","","","","has coordinates","170812","2020-10-21","18:00:00",""
"4031725","10.0744","0.0003","10.4491","0.0003","21.6791","0.0006","90","","95.102","0.002","90","","2273.08","0.11","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O2 S -","- C26 H21 Cl N2 O2 S -","- C104 H84 Cl4 N8 O8 S4 -","4","2","","Zeng, Xue-Mei; Meng, Chang-Yu; Bao, Jia-Xin; Xu, Dong-Cheng; Xie, Jian-Wu; Zhu, Wei-Dong","Enantioselective Construction of Polyfunctionalized Spiroannulated Dihydrothiophenes via a Formal Thio [3+2] Cyclization.","The Journal of organic chemistry","2015","80","22","11521","11528","10.1021/acs.joc.5b01357","","","0.71073","MoKα","","0.0487","0.0393","","","0.0867","0.0924","","","","","","1.071","","","","has coordinates","170810","2020-10-21","18:00:00",""
"4031726","6.6061","0.0018","8.907","0.002","13.587","0.004","92.376","0.007","91.617","0.007","100.58","0.007","784.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.1924","0.0636","","","0.1958","0.2535","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031727","6.0713","0.0016","12.715","0.003","22.502","0.006","90","","90","","90","","1737.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2574","0.0745","","","0.1508","0.237","","","","","","0.918","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031728","5.807","0.005","14.774","0.005","20.829","0.005","90","","90","","90","","1787","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2035","0.0748","","","0.1802","0.2628","","","","","","0.881","","","","has coordinates","170813","2020-10-21","18:00:00",""
"4031729","9.009","0.003","14.683","0.005","15.413","0.005","84.335","0.01","78.411","0.01","80.118","0.01","1963.3","1.1","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H37 N5 O2 -","- C51 H37 N5 O2 -","- C102 H74 N10 O4 -","2","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1076","0.0795","","","0.1524","0.1679","","","","","","1.126","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031730","16.93","0.003","16.114","0.003","20.594","0.004","90","","114.06","0.03","90","","5130","2","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 N3 O2 -","- C59 H55 N3 O2 -","- C236 H220 N12 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1467","0.1194","","","0.301","0.3404","","","","","","1.863","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031731","16.874","0.003","11.312","0.002","23.571","0.005","90","","97.27","0.03","90","","4463","1.5","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 N3 O3 -","- C56 H51 N3 O3 -","- C224 H204 N12 O12 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1294","0.0946","","","0.235","0.2534","","","","","","1.153","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031732","8.753","0.0018","14.773","0.003","28.489","0.006","90","","90","","90","","3683.9","1.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H33 Cl2 N3 O2 -","- C48 H33 Cl2 N3 O2 -","- C192 H132 Cl8 N12 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.087","0.0746","","","0.1445","0.1532","","","","","","1.125","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031733","9.3576","0.0019","39.56","0.008","11.254","0.002","90","","99.55","0.03","90","","4108.3","1.4","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 N4 O2 -","- C53 H42 N4 O2 -","- C212 H168 N16 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.0879","0.077","","","0.1371","0.1425","","","","","","1.231","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031734","11.3075","0.0002","23.9449","0.0003","11.5539","0.0002","90","","111.656","0.002","90","","2907.49","0.09","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 N2 O4 Si2 -","- C64 H78 N2 O4 Si2 -","- C128 H156 N4 O8 Si4 -","2","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","1.54178","CuKα","","0.073","0.0598","","","0.1817","0.1995","","","","","","1.044","","","","has coordinates,has disorder","170809","2020-10-21","18:00:00",""
"4031735","9.9916","0.0006","15.6617","0.0009","18.6841","0.0011","67.994","0.002","85.859","0.002","89.203","0.002","2703.4","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 N4 O4 -","- C72 H52 N4 O4 -","- C144 H104 N8 O8 -","2","1","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","","0.0949","0.0563","","","0.1321","0.149","","","","","","1.032","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031736","7.578","0.0005","9.1129","0.0006","9.9879","0.0007","114.28","0.002","94.306","0.002","95.903","0.002","620.13","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Br2 Si2 -","- C24 H26 Br2 Si2 -","- C24 H26 Br2 Si2 -","1","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0363","","","0.0784","0.0887","","","","","","1.015","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031737","10.5232","0.0005","8.0808","0.0004","20.885","0.0011","90","","102.194","0.002","90","","1735.9","0.15","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Br2 Si2 -","- C36 H50 Br2 Si2 -","- C72 H100 Br4 Si4 -","2","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","","0.0515","0.0339","","","0.0711","0.0764","","","","","","1.039","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031738","16.8926","0.0009","13.6464","0.0007","19.4813","0.0011","90","","107.626","0.002","90","","4280.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 Cl3 N4 O3 V -","- C51 H47 Cl3 N4 O3 V -","- C204 H188 Cl12 N16 O12 V4 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Monomeric Chiral and Achiral Basket-Handle Porphyrins: Synthesis, Structural Features, and Arrested Tautomerism.","The Journal of organic chemistry","2015","80","24","12359","12378","10.1021/acs.joc.5b02259","","","0.71073","MoKα","","0.063","0.0456","","","0.1109","0.1214","","","","","","1.028","","","","has coordinates","173586","2020-10-21","18:00:00",""
"4031739","21.9867","0.0011","14.2038","0.0007","15.3868","0.0008","90","","120.622","0.002","90","","4135.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cl In N4 O2 -","- C50 H46 Cl In N4 O2 -","- C200 H184 Cl4 In4 N16 O8 -","4","0.5","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Monomeric Chiral and Achiral Basket-Handle Porphyrins: Synthesis, Structural Features, and Arrested Tautomerism.","The Journal of organic chemistry","2015","80","24","12359","12378","10.1021/acs.joc.5b02259","","","0.71073","MoKα","","0.0272","0.0242","","","0.0613","0.0631","","","","","","1.06","","","","has coordinates","173586","2020-10-21","18:00:00",""
"4031740","14.9685","0.0003","18.6756","0.0003","20.5316","0.0003","90","","90","","90","","5739.52","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 O2 P2 S -","- C30 H30 F6 O2 P2 S -","- C240 H240 F48 O16 P16 S8 -","8","1","","Hampton, Carissa S.; Harmata, Michael","Mechanistic Aspects of the Phosphine-Catalyzed Isomerization of Allenic Sulfones to 2-Arylsulfonyl 1,3-Dienes.","The Journal of organic chemistry","2015","80","24","12151","12158","10.1021/acs.joc.5b02097","","","1.54178","CuKα","","0.0284","0.0269","","","0.0719","0.073","","","","","","1.04","","","","has coordinates","173587","2020-10-21","18:00:00",""
"4031741","5.8355","0.0002","15.6172","0.0007","19.3487","0.0005","108.533","0.003","91.452","0.003","99.953","0.004","1640.63","0.11","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H56 F14 N4 O S4 -","- C68 H56 F14 N4 S4 -","- C68 H56 F14 N4 S4 -","1","0.5","","Langbein, Susanne; Wadepohl, Hubert; Gade, Lutz H.","Arylmercapto Substituted Tetraazaperopyrene Derivatives and Their Oxidation to Tetrasulfones: Photophysics and Electrochemistry.","The Journal of organic chemistry","2015","80","24","12620","12626","10.1021/acs.joc.5b01969","","x-ray","1.5418","CuKα","","0.079","0.0601","","","0.1627","0.1815","","","","","","1.042","","","","has coordinates","173597","2020-10-21","18:00:00",""
"4031744","18.4384","0.0016","8.3568","0.0007","13.182","0.0011","90","","108.98","0.001","90","","1920.7","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","1","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Gopal Reddy, S.; Hanuman Reddy, V.; Singarapu, Kiran Kumar; Sridhar, Balasubramanian","Domino Strategy for the Stereoselective Construction of Angularly Fused Tricyclic Ethers.","The Journal of organic chemistry","2015","80","24","12580","12587","10.1021/acs.joc.5b02241","","","0.71073","MoKα","","0.065","0.0532","","","0.1372","0.1466","","","","","","1.052","","","","has coordinates","173589","2020-10-21","18:00:00",""
"4031745","13.641","0.004","13.069","0.004","10.529","0.002","90","","90","","90","","1877","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","0.5","","Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.","The Journal of organic chemistry","2015","80","24","12006","12014","10.1021/acs.joc.5b01921","","","0.71073","MoKα","","0.1654","0.0707","","","0.1578","0.2071","","","","","","1.01","","","","has coordinates","173593","2020-10-21","18:00:00",""
"4031746","10.401","0.004","10.577","0.003","17.112","0.005","90","","103.01","0.03","90","","1834.2","1.1","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 -","- C24 H24 N2 -","- C96 H96 N8 -","4","1","","Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.","The Journal of organic chemistry","2015","80","24","12006","12014","10.1021/acs.joc.5b01921","","","0.71073","MoKα","","0.1846","0.0532","","","0.0929","0.1191","","","","","","0.816","","","","has coordinates","173593","2020-10-21","18:00:00",""
"4031747","10.9514","0.0008","3.8752","0.0003","21.5656","0.0016","90","","92.972","0.004","90","","913.99","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-cyano-3-(4-cholorophenyl)acrylamide","","","- C20 H10 Cl2 N4 O2 -","- C20 H14 Cl2 N4 O2 -","- C40 H28 Cl4 N8 O4 -","2","0.5","","Gunasekar, Ramachandran; Thamaraiselvi, Pichandi; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer; Easwaramoorthi, Shanmugam","Tuning the Electronic Properties of 2-Cyano-3-phenylacrylamide Derivatives.","The Journal of organic chemistry","2015","80","24","12351","12358","10.1021/acs.joc.5b02226","","","0.71073","MoKα","","0.0542","0.0434","","","0.1361","0.143","","","","","","1.112","","","","has coordinates","173594","2020-10-21","18:00:00",""
"4031748","4.7744","0.0001","16.1844","0.0004","8.8835","0.0002","90","","96.455","0.001","90","","682.08","0.03","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl F2 N O2 -","- C4 H8 Cl F2 N O2 -","- C16 H32 Cl4 F8 N4 O8 -","4","1","","Kondratov, Ivan S.; Bugera, Maksym Ya; Tolmachova, Nataliya A.; Posternak, Ganna G.; Daniliuc, Constantin G.; Haufe, Günter","Radical Reactions of Alkyl 2-Bromo-2,2-difluoroacetates with Vinyl Ethers: ""Omitted"" Examples and Application for the Synthesis of 3,3-Difluoro-GABA.","The Journal of organic chemistry","2015","80","24","12258","12264","10.1021/acs.joc.5b02171","","","0.71073","MoKα","","0.0301","0.028","","","0.0716","0.0737","","","","","","1.088","","","","has coordinates","173596","2020-10-21","18:00:00",""
"4031749","7.5975","0.0014","10.5316","0.0019","27.162","0.005","90","","97.953","0.003","90","","2152.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O2 -","- C25 H27 N3 O2 -","- C100 H108 N12 O8 -","4","1","","Bodapati, Ramakrishna; Sarma, Monima; Kanakati, Arunkumar; Das, Samar K.","Asymmetrically Substituted and π-Conjugated 2,2'-Bipyridine Derivatives: Synthesis, Spectroscopy, Computation, and Crystallography.","The Journal of organic chemistry","2015","80","24","12482","12491","10.1021/acs.joc.5b02345","","","0.71073","MoKα","","0.096","0.0806","","","0.1929","0.2045","","","","","","1.097","","","","has coordinates","173595","2020-10-21","18:00:00",""
"4031750","9.4598","0.0002","7.6176","0.0001","10.0179","0.0002","90","","95.575","0.002","90","","718.48","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.0373","0.0365","","","0.1129","0.1146","","","","","","0.786","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031751","7.4623","0.0008","7.9403","0.0009","14.3735","0.0015","100.622","0.009","92.419","0.009","112.362","0.01","768.19","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.1336","0.0881","","","0.2219","0.2529","","","","","","1.168","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031752","9.3568","0.0004","15.0678","0.0006","11.9128","0.0005","90","","100.597","0.004","90","","1650.9","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.0723","0.0595","","","0.1673","0.1793","","","","","","1.014","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031753","26.012","0.001","7.214","0.001","20.211","0.001","90","","128.649","0.001","90","","2962","0.5","150","2","150","","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1-Acetyl-6-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C25.5 H41 N6 O4.5 S2 -","- C25.5 H41 N6 O4.5 S2 -","- C102 H164 N24 O18 S8 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0406","0.038","","","0.1022","0.1064","","","","","","1.07","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031754","8.058","0.001","14.09","0.001","12.214","0.001","90","","92.584","0.002","90","","1385.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(1-Acetyl-7-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C12 H19 N3 O2 S -","- C12 H19 N3 O2 S -","- C48 H76 N12 O8 S4 -","4","2","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0448","0.0394","","","0.101","0.1091","","","","","","1.094","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031755","9.151","0.001","10.67","0.001","17.149","0.001","90","","90","","90","","1674.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0434","0.0341","","","0.0874","0.0945","","","","","","1.073","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031756","9.602","0.001","11.794","0.001","15.017","0.001","90","","90","","90","","1700.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5S,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0537","0.0387","","","0.1001","0.1133","","","","","","1.022","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031757","30.1333","0.0007","7.7644","0.0002","12.9297","0.0003","90","","105.7","0.003","90","","2912.26","0.13","190","2","190","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H40 N O12.5 -","- C32 H40 N O12.5 -","- C128 H160 N4 O50 -","4","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","Viridicatumtoxins: Expanding on a Rare Tetracycline Antibiotic Scaffold.","The Journal of organic chemistry","2015","80","24","12501","12508","10.1021/acs.joc.5b02367","","x-ray","1.54184","CuKα","","0.0484","0.0466","","","0.1326","0.1348","","","","","","1.069","","","","has coordinates,has disorder","173588","2020-10-21","18:00:00",""
"4031758","9.2194","0.0018","28.551","0.006","11.042","0.002","90","","111.54","0.03","90","","2703.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O8 -","- C29 H28 O8 -","- C116 H112 O32 -","4","1","","Liu, Yi-Fei; Wang, Zhen; Shi, Jin-Wei; Chen, Bai-Ling; Zhao, Zhi-Gang; Chen, Zili","NHC-Ag(I)-Catalyzed Three-Component 1,3-Dipolar Cycloaddition To Provide Polysubstituted Dihydro-/Tetrahydrofurans.","The Journal of organic chemistry","2015","80","24","12733","12739","10.1021/acs.joc.5b02422","","","0.71073","MoKα","","0.106","0.0656","","","0.1593","0.1854","","","","","","1.073","","","","has coordinates,has disorder","173590","2020-10-21","18:00:00",""
"4031759","9.0734","0.0012","18.171","0.003","15.045","0.002","90","","90.571","0.003","90","","2480.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N O3 P S -","- C29 H24 N O3 P S -","- C116 H96 N4 O12 P4 S4 -","4","1","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0331","0.0292","","","0.0766","0.0789","","","","","","1.028","","","","has coordinates","173585","2020-10-21","18:00:00",""
"4031760","13.236","0.003","19.919","0.004","34.94","0.007","90","","90","","90","","9212","3","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27.5 H22 Cl N O P S -","- C27.5 H21 Cl N O P S -","- C440 H336 Cl16 N16 O16 P16 S16 -","16","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0839","0.0639","","","0.1373","0.1474","","","","","","1.097","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031761","9.948","0.002","12.78","0.003","18.432","0.004","103.49","0.03","95.86","0.03","108.52","0.03","2120.9","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 N O P S -","- C27 H20 N O P S -","- C108 H80 N4 O4 P4 S4 -","4","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0666","0.0473","","","0.1077","0.1184","","","","","","1.018","","","","has coordinates","173585","2020-10-21","18:00:00",""
"4031762","6.5466","0.0002","9.2228","0.0003","20.4337","0.0007","90","","98.265","0.002","90","","1220.93","0.07","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Dai, Wei; Jiang, Xiao-Li; Tao, Ji-Yu; Shi, Feng","Application of 3-Methyl-2-vinylindoles in Catalytic Asymmetric Povarov Reaction: Diastereo- and Enantioselective Synthesis of Indole-Derived Tetrahydroquinolines.","The Journal of organic chemistry","2016","81","1","185","192","10.1021/acs.joc.5b02476","","","1.54178","CuKα","","0.0692","0.0685","","","0.201","0.2015","","","","","","1.105","","","","has coordinates","175798","2020-10-21","18:00:00",""
"4031763","7.65835","0.00018","7.90588","0.00018","24.3938","0.0007","88.9061","0.0007","82.0333","0.0007","79.5504","0.0007","1438.41","0.06","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Br N O4 S -","- C33 H30 Br N O4 S -","- C66 H60 Br2 N2 O8 S2 -","2","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0373","","","","0.1071","","","","","","1.114","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031764","19.0086","0.0004","8.50881","0.00015","30.3715","0.0006","90","","103.946","0.0007","90","","4767.52","0.16","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C216 H232 N8 O24 S8 -","8","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","0.0412","0.0378","","","0.0954","0.0972","","","","","","1.053","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031765","12.2761","0.0003","7.87636","0.00018","16.8396","0.0004","90","","92.7067","0.0008","90","","1626.42","0.07","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","2","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","0.0545","0.0397","","","0.0901","0.1008","","","","","","1.09","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4031766","8.6333","0.0003","8.8406","0.0003","12.4265","0.0004","96.9079","0.0007","105.026","0.0008","106.985","0.0008","856.1","0.05","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0513","","","","0.1468","","","","","","1.216","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031767","12.393","0.0003","11.2794","0.0002","15.7786","0.0003","90","","100.164","0.0007","90","","2171.01","0.08","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C104 H108 N4 O12 S4 -","4","1","","Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.","The Journal of organic chemistry","2016","81","2","559","574","10.1021/acs.joc.5b02364","","","0.71075","MoKα","","","0.0439","","","","0.113","","","","","","1.132","","","","has coordinates","175796","2020-10-21","18:00:00",""
"4031768","14.7965","0.001","15.5327","0.001","16.1201","0.0011","92.062","0.006","93.177","0.006","92.837","0.006","3691.9","0.4","93","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H50 B F20 N2 O4 -","- C73.9994 H49.9986 B F20 N2 O4 -","- C147.999 H99.9972 B2 F40 N4 O8 -","2","1","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.163","0.0757","","","0.1856","0.2468","","","","","","1.019","","","","has coordinates,has disorder","175800","2020-10-21","18:00:00",""
"4031769","10.5157","0.0007","10.6941","0.0007","15.312","0.001","90","","106.942","0.004","90","","1647.19","0.19","93","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 O4 -","- C44 H36 N2 O4 -","- C88 H72 N4 O8 -","2","0.5","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.0496","0.0356","","","0.1094","0.1203","","","","","","0.917","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031770","22.6937","0.0015","25.4639","0.0017","31.677","0.002","90","","90","","90","","18305","2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C101 H57 B2 F40 N2 O4 -","- C89.7778 H50.6667 B1.77778 F35.5556 N1.77778 O3.55556 -","- C808 H456 B16 F320 N16 O32 -","9","1.125","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.05","0.039","","","0.1365","0.1475","","","","","","1.185","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031771","8.912","0.0008","5.8904","0.0006","18.4113","0.0016","90","","102.422","0.003","90","","943.88","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O3 S -","- C19 H16 Br2 N2 O3 S -","- C38 H32 Br4 N4 O6 S2 -","2","1","","Cheng, Yi An; Yu, Wesley Zongrong; Yeung, Ying-Yeung","An unexpected Bromolactamization of Olefinic Amides Using a Three-Component Co-catalyst System.","The Journal of organic chemistry","2016","81","2","545","552","10.1021/acs.joc.5b02390","","","0.71073","MoKα","","0.024","0.0203","","","0.0385","0.0393","","","","","","1.035","","","","has coordinates","175795","2020-10-21","18:00:00",""
"4031772","16.66","0.009","6.124","0.004","17.274","0.01","90","","106.504","0.012","90","","1689.8","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C68 H64 Br4 N4 O12 S4 -","4","1","","Cheng, Yi An; Yu, Wesley Zongrong; Yeung, Ying-Yeung","An unexpected Bromolactamization of Olefinic Amides Using a Three-Component Co-catalyst System.","The Journal of organic chemistry","2016","81","2","545","552","10.1021/acs.joc.5b02390","","","0.71073","MoKα","","0.0461","0.0404","","","0.1098","0.114","","","","","","1.041","","","","has coordinates","175795","2020-10-21","18:00:00",""
"4031809","8.008","0.005","9.026","0.005","10.852","0.005","94.666","0.005","99.028","0.005","100.641","0.005","756.4","0.7","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Das, Debapratim; Biswas, Aniruddha; Karmakar, Ujjwal; Chand, Santanu; Samanta, Rajarshi","C6-Selective Direct Alkylation of Pyridones with Diazo Compounds under Rh(III)-Catalyzed Mild Conditions.","The Journal of organic chemistry","2016","81","3","842","848","10.1021/acs.joc.5b02349","","","0.71069","MoKα","","0.0716","0.0547","","","0.1528","0.1653","","","","","","1.096","","","","has coordinates","177420","2020-10-21","18:00:00",""
"4031810","10.977","0.005","9.936","0.005","16.271","0.005","90","0.005","100.318","0.005","90","0.005","1745.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Das, Debapratim; Biswas, Aniruddha; Karmakar, Ujjwal; Chand, Santanu; Samanta, Rajarshi","C6-Selective Direct Alkylation of Pyridones with Diazo Compounds under Rh(III)-Catalyzed Mild Conditions.","The Journal of organic chemistry","2016","81","3","842","848","10.1021/acs.joc.5b02349","","","0.71073","MoKα","","0.0961","0.0522","","","0.1022","0.117","","","","","","1.026","","","","has coordinates","177420","2020-10-21","18:00:00",""
"4031811","12.8653","0.0012","9.0875","0.0009","15.0355","0.0014","90","","115.014","0.001","90","","1593","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhu, Su-Li; Chen, Chao; Wang, Haijun; Liang, Yong-Min","Silver-Catalyzed Decarboxylative Addition/Cyclization of Activated Alkenes with Aliphatic Carboxylic Acids.","The Journal of organic chemistry","2016","81","3","1277","1284","10.1021/acs.joc.5b02594","","","0.71073","MoKα","","0.0448","0.038","","","0.1069","0.1129","","","","","","1.057","","","","has coordinates","177419","2020-10-21","18:00:00",""
"4031812","11.2623","0.0002","8.9195","0.0001","12.9754","0.0009","90","","114.397","0.008","90","","1187.04","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C50 H68 O8 Si2 -","2","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0602","0.0502","","","0.1154","0.1402","","","","","","1.111","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031813","7.7056","0.0001","31.3414","0.0006","12.9403","0.0009","90","","92.142","0.007","90","","3123","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 O4 Si2 -","- C30 H50 O4 Si2 -","- C120 H200 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0775","0.06","","","0.1564","0.1765","","","","","","1.099","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031814","7.702","0.0001","13.1321","0.0002","27.4999","0.0019","90","","90","","90","","2781.4","0.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O4 Si2 -","- C28 H44 O4 Si2 -","- C112 H176 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0375","0.0326","","","0.0727","0.0861","","","","","","1.143","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031815","9.3611","0.0003","10.4294","0.0004","12.5882","0.0009","91.067","0.006","109.523","0.008","106.48","0.007","1101.97","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H34 O5 -","- C25 H34 O5 -","- C50 H68 O10 -","2","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0742","0.0543","","","0.1403","0.1716","","","","","","1.061","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031816","7.7133","0.0001","12.5483","0.0002","25.0132","0.0017","90","","90","","90","","2421","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 Si -","- C23 H36 O4 Si -","- C92 H144 O16 Si4 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0646","0.0542","","","0.1417","0.1678","","","","","","1.228","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031817","10.07","0.0013","12.3582","0.0016","17.963","0.002","96.914","0.004","102.292","0.004","102.701","0.004","2097.7","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","1a in manuscript","","","- C40 H46 Cl4 N4 O0.5 Si2 -","- C40 H46 Cl4 N4 O0.235 Si2 -","- C80 H92 Cl8 N8 O0.47 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1329","0.0717","","","0.1529","0.1875","","","","","","1.069","","","","has coordinates","177422","2020-10-21","18:00:00",""
"4031818","10.281","0.003","12.582","0.004","17.968","0.005","96.233","0.006","103.75","0.007","102.897","0.006","2168.4","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","1b in manuscript","","","- C40 H46 Br4 N4 O0.5 Si2 -","- C40 H46 Br4 N4 O0.123 Si2 -","- C80 H92 Br8 N8 O0.246 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.059","0.033","","","0.0696","0.0793","","","","","","1.031","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031819","10.1041","0.0012","12.3922","0.0014","17.938","0.002","97.224","0.002","102.464","0.002","101.81","0.002","2112.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","6a in manuscript","","","- C40 H48.46 Cl4 N4 O0.23 Si2 -","- C40 H48 Cl4 N4 O0.229 Si2 -","- C80 H96 Cl8 N8 O0.458 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1165","0.0584","","","0.1174","0.1418","","","","","","1.043","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031820","7.2","0.003","8.974","0.004","17.429","0.007","81.59","0.011","82.046","0.012","77.789","0.011","1082.1","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","6b in manuscript","","","- C40 H48 Br4 N4 Si2 -","- C40 H48 Br4 N4 Si2 -","- C40 H48 Br4 N4 Si2 -","1","0.5","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.2023","0.1212","","","0.2871","0.3298","","","","","","1.11","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031821","8.777","0.002","8.817","0.002","29.942","0.007","88.066","0.006","87.812","0.006","76.754","0.006","2253.1","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10 in manuscript","","","- C41 H49 Cl7 N4 Si2 -","- C41 H49 Cl7 N4 Si2 -","- C82 H98 Cl14 N8 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.1399","0.0805","","","0.1482","0.1765","","","","","","1.073","","","","has coordinates,has disorder","177422","2020-10-21","18:00:00",""
"4031822","8.6568","0.001","14.0971","0.0017","17.111","0.002","77.906","0.003","85.32","0.003","87.277","0.004","2034","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","11 in manuscript","","","- C40 H46 Cl4 N4 Si2 -","- C40 H46 Cl4 N4 Si2 -","- C80 H92 Cl8 N8 Si4 -","2","1","","Engelhart, Jens U.; Paulus, Fabian; Schaffroth, Manuel; Vasilenko, Vladislav; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Halogenated Symmetrical Tetraazapentacenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2016","81","3","1198","1205","10.1021/acs.joc.5b02731","","","0.71073","MoKα","","0.0934","0.0538","","","0.1145","0.1302","","","","","","1.047","","","","has coordinates","177422","2020-10-21","18:00:00",""
"4031823","10.2142","0.0004","10.2142","0.0004","17.8299","0.0007","90","","90","","120","","1610.97","0.11","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C78 H66 O15 -","3","1","","Yuan, Xiao; Lin, Lili; Chen, Weiliang; Wu, Wangbin; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Chiral Tetrahydrofurans via Catalytic Asymmetric [3 + 2] Cycloaddition of Heterosubstituted Alkenes with Oxiranes.","The Journal of organic chemistry","2016","81","3","1237","1243","10.1021/acs.joc.5b02524","","x-ray","1.54184","CuKα","","0.075","0.0738","","","0.1613","0.1637","","","","","","1.095","","","","has coordinates","177418","2020-10-21","18:00:00",""
"4031824","12.6738","0.0003","19.3375","0.0005","20.0114","0.0007","88.963","0.002","72.912","0.001","75.267","0.001","4525.2","0.2","150","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C91 H104 N34 O11 -","- C91 H104 N34 O11 -","- C182 H208 N68 O22 -","2","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.0516","0.0478","","","0.1365","0.1409","","","","","","1.023","","","","has coordinates,has disorder","182506","2020-10-21","18:00:00",""
"4031825","28.7618","0.0017","11.6367","0.0007","35.138","0.002","90","","90","","90","","11760.4","1.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H39 N15 O3 -","- C39 H39 N15 O3 -","- C312 H312 N120 O24 -","8","2","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.091","0.0645","","","0.1888","0.2146","","","","","","1.024","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031826","12.4986","0.0009","14.7043","0.001","20.3073","0.0013","70.131","0.004","74.396","0.004","72.114","0.004","3283.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 N15 O3 -","- C42 H45 N15 O3 -","- C84 H90 N30 O6 -","2","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.1307","0.0778","","","0.2234","0.2629","","","","","","0.993","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031827","29.665","0.006","9.049","0.002","31.666","0.006","90","","99.09","0.006","90","","8394","3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 N15 O3 -","- C42 H45 N15 O3 -","- C168 H180 N60 O12 -","4","1","","Helzy, Fatima; Maris, Thierry; Wuest, James D.","Engineering Hydrogen-Bonded Hexagonal Networks Built from Flexible 1,3,5-Trisubstituted Derivatives of Benzene.","The Journal of organic chemistry","2016","81","8","3076","3086","10.1021/acs.joc.5b02552","","","1.54178","CuKα","","0.1538","0.0604","","","0.0947","0.1048","","","","","","0.989","","","","has coordinates","182506","2020-10-21","18:00:00",""
"4031828","10.0416","0.0005","12.3341","0.0006","14.3639","0.0007","99.687","0.003","97.512","0.003","104.946","0.003","1665.77","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br N3 O S2 -","- C38 H30 Br N3 O S2 -","- C76 H60 Br2 N6 O2 S4 -","2","1","","Bodedla, Govardhana Babu; Justin Thomas, K. R.; Fan, Miao-Syuan; Ho, Kuo-Chuan","Benzimidazole-Branched Isomeric Dyes: Effect of Molecular Constitution on Photophysical, Electrochemical, and Photovoltaic Properties.","The Journal of organic chemistry","2016","81","2","640","653","10.1021/acs.joc.5b02590","","","0.71073","MoKα","","0.2493","0.0534","","","0.1326","0.2249","","","","","","0.877","","","","has coordinates","175694","2020-10-21","18:00:00",""
"4031829","7.123","0.002","10.302","0.003","17.193","0.005","88.54","0.004","79.136","0.003","76.363","0.004","1203.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,7-bis(5-(trimethylsilyl)thiophen-2-yl)-5,6-diycanobenzo[c][1,2,5]thiadiazole","","- C22 H22 N4 S3 Si2 -","- C22 H22 N4 S3 Si2 -","- C44 H44 N8 S6 Si4 -","2","1","","Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R.","C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors.","The Journal of organic chemistry","2016","81","2","360","370","10.1021/acs.joc.5b02551","","","0.71073","MoKα","","0.0693","0.0618","","","0.1744","0.1783","","","","","","1.015","","","","has coordinates","175695","2020-10-21","18:00:00",""
"4031830","20.099","0.006","11.717","0.004","7.027","0.002","90","","90","","90","","1654.9","0.9","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","4,7-bis(5-methylthiophen-2-yl)-5,6-diycanobenzo[c][1,2,5]thiadiazole","","- C18 H10 N4 S3 -","- C18 H10 N4 S3 -","- C72 H40 N16 S12 -","4","1","","Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R.","C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors.","The Journal of organic chemistry","2016","81","2","360","370","10.1021/acs.joc.5b02551","","","0.71073","MoKα","","0.0379","0.0318","","","0.0763","0.0791","","","","","","1.053","","","","has coordinates","175695","2020-10-21","18:00:00",""
"4031831","30.3461","0.0012","5.8463","0.0002","34.0783","0.0013","90","","96.57","0.0019","90","","6006.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(S)-3-((2R,5S)-2-((S)-(4-bromophenyl)((4-iodophenyl)amino)methyl) -5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one","","- C33 H29 Br F I N2 O4 -","- C33 H29 Br F I N2 O4 -","- C264 H232 Br8 F8 I8 N16 O32 -","8","4","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0489","0.0446","","","0.0988","0.1014","","","","","","1.056","","","","has coordinates,has disorder","175696","2020-10-21","18:00:00",""
"4031832","5.7152","0.0003","15.4683","0.0007","22.7213","0.001","81.5151","0.0014","89.504","0.0016","89.5445","0.0014","1986.56","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","","(S)-3-((2R,5S)-5-(4-fluorophenyl)-2-((S)-((4-iodophenyl)amino) (4-((trimethylsilyl)oxy) phenyl)methyl)-5-((trimethylsilyl)oxy) pentanoyl)-4-phenyloxazolidin-2-one","","- C39 H46 F I N2 O5 Si2 -","- C39 H46 F I N2 O5 Si2 -","- C78 H92 F2 I2 N4 O10 Si4 -","2","2","","Limanto, John; Yoshikawa, Naoki; Reamer, Robert A.; Tan, Lushi; Brunskill, Andrew; Reibarkh, Mikhail","Promotion of a Ti-Mediated Mannich Reaction by a Proton Source.","The Journal of organic chemistry","2016","81","2","723","728","10.1021/acs.joc.5b02452","","","1.54178","CuKα","","0.0571","0.0564","","","0.1474","0.1481","","","","","","1.047","","","","has coordinates,has disorder","175697","2020-10-21","18:00:00",""
"4031833","5.4629","0.0005","48.1","0.004","10.9336","0.001","90","","97.337","0.002","90","","2849.4","0.4","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O9 -","- C34 H28 O9 -","- C136 H112 O36 -","4","2","","Lu, Tai-Ni; Chang, Che-Chien","Synthesis of 3-Deoxy-l-ketohexoses through Group Transfer.","The Journal of organic chemistry","2016","81","2","469","475","10.1021/acs.joc.5b02257","","","0.71073","MoKα","","0.0448","0.0358","","","0.0722","0.0779","","","","","","1.019","","","","has coordinates","175698","2020-10-21","18:00:00",""
"4031834","6.5358","0.0002","15.1093","0.0004","11.5347","0.0004","90","","90.698","0.002","90","","1138.98","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Han, Su Jin; Kim, Hyun Tae; Joo, Jung Min","Direct C-H Alkenylation of Functionalized Pyrazoles.","The Journal of organic chemistry","2016","81","2","689","698","10.1021/acs.joc.5b02398","","","0.71073","MoKα","","0.0579","0.0453","","","0.1033","0.1116","","","","","","1.052","","","","has coordinates","175699","2020-10-21","18:00:00",""
"4031835","6.8771","0.0001","12.2722","0.0002","15.4408","0.0003","73.338","0.001","84.595","0.001","83.906","0.001","1238.61","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","2","","Han, Su Jin; Kim, Hyun Tae; Joo, Jung Min","Direct C-H Alkenylation of Functionalized Pyrazoles.","The Journal of organic chemistry","2016","81","2","689","698","10.1021/acs.joc.5b02398","","","0.71073","MoKα","","0.0482","0.0431","","","0.1096","0.1144","","","","","","1.055","","","","has coordinates","175700","2020-10-21","18:00:00",""
"4031836","31.426","0.003","13.9013","0.0012","21.3552","0.0017","90","","105.307","0.002","90","","8998.3","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H51 O10 -","- C48 H52 O10 -","- C384 H416 O80 -","8","1","","Li, Xia; Han, Jianguang; Jones, Alexander X.; Lei, Xiaoguang","Chiral Boron Complex-Promoted Asymmetric Diels-Alder Cycloaddition and Its Application in Natural Product Synthesis.","The Journal of organic chemistry","2016","81","2","458","468","10.1021/acs.joc.5b02248","","","0.71073","MOKα","","0.1284","0.0603","","","0.1311","0.1434","","","","","","1.019","","","","has coordinates","175701","2020-10-21","18:00:00",""
"4031837","13.2491","0.0008","13.2491","0.0008","16.54","0.003","90","","90","","90","","2903.4","0.6","120","","120","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C24 F16 S8 -","- C24 F16 S8 -","- C96 F64 S32 -","4","0.5","","Skowron, Pierre-Thomas; Dumartin, Melissa; Jeamet, Emeric; Perret, Florent; Gourlaouen, Christophe; Baudouin, Anne; Fenet, Bernard; Naubron, Jean-Valère; Fotiadu, Frédéric; Vial, Laurent; Leclaire, Julien","On-Demand Cyclophanes: Substituent-Directed Self-Assembling, Folding, and Binding.","The Journal of organic chemistry","2016","81","2","654","661","10.1021/acs.joc.5b02605","","x-ray","1.54184","CuKα","","0.0718","0.0637","","0.139","0.1242","0.139","","","","","","1.0281","","","","has coordinates","175702","2020-10-21","18:00:00",""
"4031838","15.219","0.008","26.621","0.013","18.6197","0.001","90","","98.516","0.009","90","","7461","5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H93 B5 Cl4 O10 -","- C68 H93 B5 Cl4 O10 -","- C272 H372 B20 Cl16 O40 -","4","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.2738","0.1669","","","0.421","0.4675","","","","","","1.273","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031839","16.328","0.005","17.144","0.004","18.08","0.006","90","","115.848","0.009","90","","4555","2","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 -","- C65 H50 -","- C260 H200 -","4","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0612","0.0457","","","0.1216","0.1328","","","","","","1.027","","","","has coordinates","175703","2020-10-21","18:00:00",""
"4031840","48.644","0.006","13.8778","0.001","32.023","0.003","90","","90","","90","","21618","4","93","","93","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C141.75 H124.5 Cl2.5 O0.5 -","- C141.75 H124.5 Cl2.5 O0.5001 -","- C1134 H996 Cl20 O4.0008 -","8","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0539","0.0513","","","0.1234","0.1246","","","","","","1.16","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031841","14.1754","0.0002","14.9606","0.0009","16.7799","0.0009","82.903","0.014","68.783","0.009","69.216","0.009","3101.4","0.4","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C79.41 H61.41 Cl4.22 -","- C79.414 H61.414 Cl4.221 -","- C158.828 H122.828 Cl8.442 -","2","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.0863","0.065","","","0.1958","0.2064","","","","","","1.026","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031842","64.223","0.019","7.8923","0.0019","32.435","0.01","90","","117.265","0.007","90","","14614","7","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C86.5 H74.5 Cl7.5 -","- C86.5 H74.5 Cl7.5 -","- C692 H596 Cl60 -","8","1","","Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki","Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices.","The Journal of organic chemistry","2016","81","2","662","666","10.1021/acs.joc.5b02620","","","1.54187","CuKα","","0.1236","0.082","","","0.2273","0.2668","","","","","","0.969","","","","has coordinates,has disorder","175703","2020-10-21","18:00:00",""
"4031843","15.6972","0.0004","37.1771","0.0011","12.9487","0.0004","90","","90","","90","","7556.6","0.4","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C50 H42 N2 O4 -","- C50 H42 N2 O4 -","- C400 H336 N16 O32 -","8","0.5","","Schmidt, Hauke C.; Spulber, Mariana; Neuburger, Markus; Palivan, Cornelia G.; Meuwly, Markus; Wenger, Oliver S.","Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds.","The Journal of organic chemistry","2016","81","2","595","602","10.1021/acs.joc.5b02427","","","1.54178","CuKα","","0.0238","0.0237","","0.026","0.0259","0.0259","","","","","","1.1238","","","","has coordinates","175704","2020-10-21","18:00:00",""
"4031844","5.7685","0.0003","7.7643","0.0005","42.4758","0.0018","90","","91.849","0.007","90","","1901.43","0.18","93","","93","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H12 F3 N O2 S2 -","- C23 H12 F3 N O2 S2 -","- C92 H48 F12 N4 O8 S8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","","0.0417","","","","0.1031","","","","","","0.979","","","","has coordinates,has disorder","175705","2020-10-21","18:00:00",""
"4031845","5.90211","0.00011","7.66146","0.00014","40.2458","0.0007","90","","93.335","0.007","90","","1816.78","0.06","93","","93","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H14 F3 N O2 -","- C25 H14 F3 N O2 -","- C100 H56 F12 N4 O8 -","4","2","","Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro","Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.","The Journal of organic chemistry","2016","81","2","433","441","10.1021/acs.joc.5b02191","","","1.54187","CuKα","","0.0429","0.0404","","","0.1147","0.1162","","","","","","1.089","","","","has coordinates","175706","2020-10-21","18:00:00",""
"4031846","11.0496","0.0004","7.8673","0.0002","13.8104","0.0005","90","","103.673","0.004","90","","1166.52","0.07","100.05","0.1","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Cl N3 S3 -","- C8 H12 Cl N3 S3 -","- C32 H48 Cl4 N12 S12 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","The Reaction of DABCO with 4-Chloro-5H-1,2,3-dithiazoles: Synthesis and Chemistry of 4-[N-(2-Chloroethyl)piperazin-1-yl]-5H-1,2,3-dithiazoles.","The Journal of organic chemistry","2016","81","2","615","631","10.1021/acs.joc.5b02497","","","1.54184","CuKα","","0.0351","0.0348","","","0.0985","0.0987","","","","","","1.092","","","","has coordinates","175707","2020-10-21","18:00:00",""
"4031847","8.7052","0.0001","12.2035","0.0002","16.0777","0.0004","75.2788","0.0007","88.3395","0.0007","83.2541","0.0012","1640.49","0.05","183","","183","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C33 H31 Br I N3 O8 -","- C33 H31 Br I N3 O8 -","- C66 H62 Br2 I2 N6 O16 -","2","1","","Sokolovs, Igors; Suna, Edgars","Para-Selective Cu-Catalyzed C-H Aryloxylation of Electron-Rich Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","2","371","379","10.1021/acs.joc.5b02728","","","0.71073","MoKα","","0.043","0.034","","0.068","0.066","0.066","","","1.037","1.009","1.009","1.006","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4031848","7.6059","0.0018","8.2702","0.0018","13.411","0.003","92.066","0.002","102.639","0.005","101.285","0.004","804.5","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N4 O2 S -","- C18 H14 N4 O2 S -","- C36 H28 N8 O4 S2 -","2","1","","Xie, Wucheng; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed C7-Thiolation and Selenation of Indolines.","The Journal of organic chemistry","2016","81","2","396","403","10.1021/acs.joc.5b01943","","","0.71073","MoKα","","0.0331","0.0305","","","0.0826","0.084","","","","","","1.058","","","","has coordinates","175709","2020-10-21","18:00:00",""
"4031849","13.406","0.003","11.18","0.003","11.221","0.003","90","","95.914","0.004","90","","1672.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Wang, Xing; Chen, Rui-Xi; Wei, Zeng-Feng; Zhang, Chen-Yang; Tu, Hai-Yang; Zhang, Ai-Dong","Chemoselective Transformation of Diarylethanones to Arylmethanoic Acids and Diarylmethanones and Mechanistic Insights.","The Journal of organic chemistry","2016","81","1","238","249","10.1021/acs.joc.5b02506","","","0.71073","MoKα","","0.085","0.046","","","0.1328","0.168","","","","","","1.029","","","","has coordinates","175710","2020-10-21","18:00:00",""
"4031850","6.315","0.003","11.949","0.006","12.068","0.006","63.09","0.005","87.201","0.006","79.911","0.005","799","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C42 H28 N4 S2 -","2","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0898","0.0488","","","0.124","0.1466","","","","","","0.964","","","","has coordinates","175711","2020-10-21","18:00:00",""
"4031851","11.103","0.007","11.545","0.007","18.556","0.012","90","","98.521","0.005","90","","2352","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 B F2 N2 O S2 -","- C28 H19 B F2 N2 O S2 -","- C112 H76 B4 F8 N8 O4 S8 -","4","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0762","0.0472","","","0.1232","0.1444","","","","","","1.044","","","","has coordinates","175712","2020-10-21","18:00:00",""
"4031852","11.015","0.01","19.543","0.017","11.98","0.01","90","","116.043","0.01","90","","2317","4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O S2 -","- C28 H20 N2 O S2 -","- C112 H80 N8 O4 S8 -","4","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.183","0.0587","","","0.1185","0.1651","","","","","","0.964","","","","has coordinates","175714","2020-10-21","18:00:00",""
"4031853","8.043","0.009","10.839","0.012","11.074","0.012","110.676","0.01","107.928","0.011","90.914","0.012","850.9","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 B F2 N2 S -","- C21 H13 B F2 N2 S -","- C42 H26 B2 F4 N4 S2 -","2","1","","Sun, Zuo-Bang; Guo, Man; Zhao, Cui-Hua","Synthesis and Properties of Benzothieno[b]-Fused BODIPY Dyes.","The Journal of organic chemistry","2016","81","1","229","237","10.1021/acs.joc.5b02531","","","0.71","MoKα","","0.0674","0.0509","","","0.134","0.1521","","","","","","1.117","","","","has coordinates","175716","2020-10-21","18:00:00",""
"4031854","10.2181","0.0008","6.8051","0.0006","33.7995","0.0019","90","0.006","91.074","0.005","90","0.006","2349.8","0.3","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 O6 S -","- C26 H28 O6 S -","- C104 H112 O24 S4 -","4","1","","Zheng, Lan; Zhou, Zhao-Zhao; He, Yu-Tao; Li, Lian-Hua; Ma, Jun-Wei; Qiu, Yi-Feng; Zhou, Ping-Xin; Liu, Xue-Yuan; Xu, Peng-Fei; Liang, Yong-Min","Iodine-Promoted Radical Cyclization in Water: A Selective Reaction of 1,6-Enynes with Sulfonyl Hydrazides.","The Journal of organic chemistry","2016","81","1","66","76","10.1021/acs.joc.5b02161","","","0.71073","MoKα","","0.0622","0.0481","","","0.096","0.1045","","","","","","1.081","","","","has coordinates","175719","2020-10-21","18:00:00",""
"4031855","15.9991","0.0004","9.4815","0.0002","18.3873","0.0005","90","","95.082","0.003","90","","2778.31","0.12","293.64","0.1","293.64","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cl I N O4 S2 -","- C27 H27 Cl I N O4 S2 -","- C108 H108 Cl4 I4 N4 O16 S8 -","4","1","","Zheng, Lan; Zhou, Zhao-Zhao; He, Yu-Tao; Li, Lian-Hua; Ma, Jun-Wei; Qiu, Yi-Feng; Zhou, Ping-Xin; Liu, Xue-Yuan; Xu, Peng-Fei; Liang, Yong-Min","Iodine-Promoted Radical Cyclization in Water: A Selective Reaction of 1,6-Enynes with Sulfonyl Hydrazides.","The Journal of organic chemistry","2016","81","1","66","76","10.1021/acs.joc.5b02161","","x-ray","0.71","MoKα","","0.0618","0.0415","","","0.0918","0.1059","","","","","","1.041","","","","has coordinates","175720","2020-10-21","18:00:00",""
"4031856","9.9158","0.0002","7.8871","0.0001","11.6418","0.0003","90","","112.716","0.003","90","","839.84","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C34 H34 N6 O4 S2 -","2","1","","Doherty, William; Evans, Paul","Aminooxylation Horner-Wadsworth-Emmons Sequence for the Synthesis of Enantioenriched γ-Functionalized Vinyl Sulfones.","The Journal of organic chemistry","2016","81","4","1416","1424","10.1021/acs.joc.5b02556","","","0.71073","MoKα","","0.0411","0.0368","","","0.0924","0.0963","","","","","","1.043","","","","has coordinates","177416","2020-10-21","18:00:00",""
"4031857","14.7728","0.0002","14.5583","0.0002","22.2237","0.0004","90","","95.257","0.002","90","","4759.48","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl N2 O6 -","- C26 H23 Cl N2 O6 -","- C208 H184 Cl8 N16 O48 -","8","2","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71073","MoKα","","0.0605","0.0448","","","0.1025","0.1123","","","","","","1.015","","","","has coordinates","177417","2020-10-21","18:00:00",""
"4031858","8.14393","0.00011","8.45999","0.00013","16.946","0.0002","90","","90","","90","","1167.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl O2 -","- C13 H13 Cl O2 -","- C52 H52 Cl4 O8 -","4","1","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71069","MoKα","","0.0302","0.0273","","","0.0584","0.0602","","","","","","1.139","","","","has coordinates","177417","2020-10-21","18:00:00",""
"4031859","13.2938","0.0005","8.6528","0.0003","11.2228","0.0003","90","","97.224","0.003","90","","1280.7","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14.06 H16 Cl0.12 O3 -","- C14.0605 H16 Cl0.12 O3 -","- C56.242 H64 Cl0.48 O12 -","4","1","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71073","MoKα","","0.0576","0.0439","","","0.1032","0.1107","","","","","","1.072","","","","has coordinates,has disorder","177417","2020-10-21","18:00:00",""
"4031860","12.8994","0.0007","10.6296","0.0005","9.552","0.0005","90","","99.323","0.001","90","","1292.43","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Motiwala, Hashim F.; Charaschanya, Manwika; Day, Victor W.; Aubé, Jeffrey","Remodeling and Enhancing Schmidt Reaction Pathways in Hexafluoroisopropanol.","The Journal of organic chemistry","2016","81","4","1593","1609","10.1021/acs.joc.5b02764","","","1.54178","CuKα","","0.0576","0.0568","","","0.1351","0.1357","","","","","","1.092","","","","has coordinates,has disorder","177414","2020-10-21","18:00:00",""
"4031861","5.991","0.0006","28.946","0.003","7.1474","0.0007","90","","111.95","0.006","90","","1149.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 -","- C12 H15 N5 -","- C48 H60 N20 -","4","1","","Motiwala, Hashim F.; Charaschanya, Manwika; Day, Victor W.; Aubé, Jeffrey","Remodeling and Enhancing Schmidt Reaction Pathways in Hexafluoroisopropanol.","The Journal of organic chemistry","2016","81","4","1593","1609","10.1021/acs.joc.5b02764","","","1.54178","CuKα","","0.0697","0.0645","","","0.1895","0.1931","","","","","","1.12","","","","has coordinates,has disorder","177414","2020-10-21","18:00:00",""
"4031862","8.7921","0.0018","11.303","0.002","15.658","0.003","90","","90","","90","","1556","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0604","0.0523","","","0.1311","0.14","","","","","","1.046","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031863","10.49","0.002","14.202","0.003","20.974","0.004","90","","103.52","0.03","90","","3038.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","2","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.092","0.0648","","","0.1348","0.1516","","","","","","1.063","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031864","7.0792","0.0014","10.326","0.002","14.979","0.003","90","","90","","90","","1095","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S2 -","- C11 H10 O2 S2 -","- C44 H40 O8 S8 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0304","0.0292","","","0.0767","0.0777","","","","","","1.129","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031865","11.059","0.002","11.569","0.002","17.329","0.004","90","","90","","90","","2217.1","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0535","0.0465","","","0.1063","0.1148","","","","","","1.105","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031867","26.355","0.005","5.4089","0.0003","14.346","0.003","90","","136.39","0.04","90","","1410.6","1.1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C56 H68 N12 O8 -","2","0.5","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0343","0.0338","","","0.0904","0.0917","","","","","","1.057","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031868","4.9375","0.0005","13.7996","0.0013","10.2372","0.0009","90","","99.431","0.01","90","","688.09","0.11","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C26 H28 Cl2 N6 O4 -","2","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions.","The Journal of organic chemistry","2016","81","6","2405","2419","10.1021/acs.joc.5b02896","","","1.54184","CuKα","","0.0654","0.0622","","","0.1719","0.1803","","","","","","1.08","","","","has coordinates","181439","2020-10-21","18:00:00",""
"4031869","7.9139","0.0005","8.2369","0.0005","11.5044","0.0008","76.314","0.006","85.795","0.006","62.838","0.006","647.76","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Pan, Shanfei; Wu, Feifei; Yu, Ruicheng; Chen, Wanzhi","Palladium-Catalyzed Sequential Acylation/Cyanation of Aryl Iodides: A Regiospecific Synthesis of 2-Cyanoaryl Ketones.","The Journal of organic chemistry","2016","81","4","1558","1564","10.1021/acs.joc.5b02710","","","0.71073","MoKα","","0.0648","0.0448","","","0.1047","0.1239","","","","","","1.031","","","","has coordinates","177217","2020-10-21","18:00:00",""
"4031870","8.2207","0.0006","13.3837","0.001","17.1443","0.0013","90","","90","","90","","1886.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.67 H21.33 N2.67 O5.33 -","- C30.6667 H21.3333 N2.66667 O5.33333 -","- C92 H64 N8 O16 -","3","0.75","","Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.","A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.","The Journal of organic chemistry","2016","81","4","1689","1695","10.1021/acs.joc.5b02327","","","0.71073","MoKα","","0.0318","0.0312","","","0.0816","0.0821","","","","","","1.045","","","","has coordinates","177218","2020-10-21","18:00:00",""
"4031871","5.0458","0.0008","19.062","0.003","12.879","0.002","90","","98.003","0.003","90","","1226.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O3 -","- C16 H10 N2 O3 -","- C64 H40 N8 O12 -","4","1","","Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.","A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.","The Journal of organic chemistry","2016","81","4","1689","1695","10.1021/acs.joc.5b02327","","","0.71073","MoKα","","0.1192","0.0899","","","0.1607","0.1714","","","","","","1.23","","","","has coordinates","177219","2020-10-21","18:00:00",""
"4031872","8.2006","0.0016","16.758","0.003","11.927","0.002","90","","106.06","0.03","90","","1575.1","0.5","182","2","182","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","2","","Zhang, Mingliang; Ruan, Wenqing; Zhang, Hui-Jun; Li, Weiwei; Wen, Ting-Bin","Synthesis of α-Aminonaphthalenes via Copper-Catalyzed Aminobenzannulation of (o-Alkynyl)arylketones with Amines.","The Journal of organic chemistry","2016","81","4","1696","1703","10.1021/acs.joc.5b02340","","","0.71073","MoKα","","0.1455","0.096","","","0.2345","0.3058","","","","","","0.984","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031873","4.961","","16.81","","21.337","","108.34","","96.71","","98.43","","1645.4","","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","2","","Zhang, Mingliang; Ruan, Wenqing; Zhang, Hui-Jun; Li, Weiwei; Wen, Ting-Bin","Synthesis of α-Aminonaphthalenes via Copper-Catalyzed Aminobenzannulation of (o-Alkynyl)arylketones with Amines.","The Journal of organic chemistry","2016","81","4","1696","1703","10.1021/acs.joc.5b02340","","","0.71073","MoKα","","0.0668","0.0429","","","0.1211","0.1572","","","","","","1.025","","","","has coordinates,has disorder","177221","2020-10-21","18:00:00",""
"4031874","9.223","0.0004","10.8655","0.0005","9.4767","0.0003","90","","115.29","0.002","90","","858.66","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0438","0.0407","","0.1043","0.1028","0.1043","","","","","","1.0084","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031875","10.1654","0.0002","23.4039","0.0007","27.844","0.0007","90","","97.126","0.0015","90","","6573.2","0.3","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O6 -","- C24 H27 N3 O6 -","- C288 H324 N36 O72 -","12","3","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.1416","0.0758","","0.1563","0.1311","0.1563","","","","","","1.0345","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031876","25.4459","0.0004","7.8587","0.0001","26.2588","0.0004","90","","93.53","0.0007","90","","5241.05","0.13","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C228 H264 N24 O48 -","12","3","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.091","0.0484","","0.12","0.1018","0.12","","","","","","0.9661","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031877","8.1469","0.0002","21.0989","0.0006","10.1495","0.0003","90","","91.2076","0.0017","90","","1744.22","0.08","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0889","0.0478","","0.1153","0.0988","0.1153","","","","","","0.9578","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031878","8.7713","0.0004","8.2519","0.0003","12.8289","0.0005","90","","104.428","0.0019","90","","899.27","0.06","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.038","0.0346","","0.086","0.0839","0.086","","","","","","1.0081","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031879","6.5131","0.0004","15.578","0.001","17.347","0.0011","90","","99.532","0.004","90","","1735.74","0.19","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0897","0.0601","","0.1554","0.1303","0.1554","","","","","","1.0481","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031880","8.1146","0.0001","15.1903","0.0003","14.0567","0.0003","90","","105.362","0.001","90","","1670.77","0.05","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0536","0.0376","","0.1055","0.1013","0.1055","","","","","","0.9052","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031881","6.8438","0.0002","9.8978","0.0002","24.5997","0.0006","90","","97.1851","0.001","90","","1653.26","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0815","0.0705","","0.2157","0.2094","0.2157","","","","","","0.995","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031882","8.6793","0.0002","22.8503","0.0004","9.6857","0.0002","90","","91.2144","0.0009","90","","1920.48","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H23 Cl N2 O4 -","- C19.5 H23 Cl N2 O4 -","- C78 H92 Cl4 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0933","0.0491","","0.1332","0.1227","0.1332","","","","","","0.8076","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031883","12.8137","0.0001","20.3565","0.0002","19.3212","0.0002","90","","94.288","0.0006","90","","5025.67","0.08","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Cl2 N3 O6 -","- C25 H29 Cl2 N3 O6 -","- C200 H232 Cl16 N24 O48 -","8","2","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0693","0.0379","","0.0934","0.0876","0.0934","","","","","","0.821","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031884","7.6862","0.0003","10.4995","0.0004","28.4514","0.0011","90","","90","","90","","2296.06","0.15","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O7 -","- C24 H27 N3 O7 -","- C96 H108 N12 O28 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0812","0.0582","","0.1576","0.1499","0.1576","","","","","","0.9925","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031885","13.2299","0.0002","13.607","0.0002","14.5131","0.0003","90","","91.0006","0.0011","90","","2612.24","0.08","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C25 H28 Cl3 N3 O6 -","- C25 H28 Cl3 N3 O6 -","- C100 H112 Cl12 N12 O24 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.048","0.0422","","0.1106","0.1074","0.1106","","","","","","1.0363","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031886","15.2613","0.0003","6.8729","0.0001","17.2658","0.0003","90","","108.77","0.001","90","","1714.69","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.029","0.0277","","","0.0731","0.0741","","","","","","1.029","","","","has coordinates","177223","2020-10-21","18:00:00",""
"4031887","17.3559","0.0003","23.0476","0.0002","10.60473","0.00013","90","","106.077","0.0016","90","","4076.11","0.1","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 -","- C30 H24 -","- C240 H192 -","8","2","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54184","CuKα","","0.0497","0.0429","","","0.1072","0.1131","","","","","","1.033","","","","has coordinates","177224","2020-10-21","18:00:00",""
"4031888","10.5272","0.0001","15.2695","0.0002","17.9749","0.0002","90","","90","","90","","2889.38","0.06","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.0248","0.0245","","","0.0654","0.0657","","","","","","1.015","","","","has coordinates","177225","2020-10-21","18:00:00",""
"4031889","17.2175","0.0005","6.92","0.0002","17.2064","0.0005","90","","92.311","0.001","90","","2048.39","0.1","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","0.5","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.0283","0.0281","","","0.0722","0.0724","","","","","","1.034","","","","has coordinates","177226","2020-10-21","18:00:00",""
"4031890","7.6471","0.0008","10.1457","0.0011","10.4036","0.0011","108.059","0.002","102.095","0.002","102.883","0.002","713.47","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N O4 -","- C16 H16 N O4 -","- C32 H32 N2 O8 -","2","1","","Yang, Wei; Wang, Jingyi; Wei, Zhonglin; Zhang, Qian; Xu, Xianxiu","Kinetic Control of Rh(III)-Catalyzed Annulation of C-H Bonds with Quinones: Chemoselective Synthesis of Hydrophenanthridinones and Phenanthridinones.","The Journal of organic chemistry","2016","81","4","1675","1680","10.1021/acs.joc.5b02903","","","0.71073","MoKα","","0.0634","0.0501","","","0.139","0.1607","","","","","","1.057","","","","has coordinates","177227","2020-10-21","18:00:00",""
"4031891","10.3959","0.0014","20.556","0.003","11.7549","0.0016","90","","109.824","0.002","90","","2363.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Siva Kumari, A. Leela; Kumara Swamy, K. C.","Gold-Catalyzed Concomitant [3 + 3] Cycloaddition/Cascade Heterocyclization of Enynones/Enynals with Azides Leading to Furanotriazines.","The Journal of organic chemistry","2016","81","4","1425","1433","10.1021/acs.joc.5b02567","","","0.71073","MoKα","","0.0617","0.0466","","","0.1251","0.1397","","","","","","0.946","","","","has coordinates","177228","2020-10-21","18:00:00",""
"4031892","7.5985","0.0007","10.1256","0.0008","34.045","0.003","90","","94.613","0.003","90","","2610.9","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N3 O2 -","- C31 H25 N3 O2 -","- C124 H100 N12 O8 -","4","1","","Siva Kumari, A. Leela; Kumara Swamy, K. C.","Gold-Catalyzed Concomitant [3 + 3] Cycloaddition/Cascade Heterocyclization of Enynones/Enynals with Azides Leading to Furanotriazines.","The Journal of organic chemistry","2016","81","4","1425","1433","10.1021/acs.joc.5b02567","","","0.71073","MoKα","","0.1181","0.1012","","","0.2963","0.3112","","","","","","1.162","","","","has coordinates","177228","2020-10-21","18:00:00",""
"4031893","8.5086","0.0006","10.4268","0.0008","13.873","0.001","103.623","0.009","99.874","0.008","90.545","0.009","1176.83","0.16","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O4 -","- C22 H23 Cl N2 O4 -","- C44 H46 Cl2 N4 O8 -","2","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.1181","0.0792","","","0.1985","0.2282","","","","","","1.004","","","","has coordinates","177229","2020-10-21","18:00:00",""
"4031894","10.2071","0.0007","16.4858","0.0012","12.6284","0.0009","90","","113.189","0.002","90","","1953.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O11 S -","- C15 H18 N4 O11 S -","- C60 H72 N16 O44 S4 -","4","2","","Wangweerawong, Apiwat; Hummel, Joshua R.; Bergman, Robert G.; Ellman, Jonathan A.","Preparation of Enantiomerically Pure Perfluorobutanesulfinamide and Its Application to the Asymmetric Synthesis of α-Amino Acids.","The Journal of organic chemistry","2016","81","4","1547","1557","10.1021/acs.joc.5b02700","","","1.54178","CuKα","","0.0309","0.0307","","","0.0829","0.083","","","","","","1.026","","","","has coordinates","177230","2020-10-21","18:00:00",""
"4031895","7.17","0.003","9.128","0.004","11.218","0.005","98.826","0.007","90.908","0.007","92.801","0.007","724.4","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O5 -","- C15 H13 Cl O5 -","- C30 H26 Cl2 O10 -","2","1","","Ram, Ram N.; Gupta, Dharmendra Kumar; Soni, Vineet Kumar","Copper(I)/Ligand-Catalyzed 5-endo Radical Cyclization-Aromatization of 2,2,2-Trichloroethyl Vinyl Ethers: Synthesis of 2,3-Difunctionalized 4-Chlorofurans.","The Journal of organic chemistry","2016","81","4","1665","1674","10.1021/acs.joc.5b02830","","","0.71073","MoKα","","0.0688","0.0468","","","0.1153","0.1235","","","","","","1.049","","","","has coordinates","177231","2020-10-21","18:00:00",""
"4031896","10.2313","0.0003","14.6185","0.0006","15.0517","0.0006","90","","90","","90","","2251.23","0.14","150","0.1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O3 P2 -","- C23 H32 O3 P2 -","- C92 H128 O12 P8 -","4","1","","Jaklińska, Magdalena; Cordier, Marie; Stankevič, Marek","Stereoselectivity of Michael Addition of P(X)-H-Type Nucleophiles to Cyclohexen-1-ylphosphine Oxide: The Case of Base-Selective Transformation.","The Journal of organic chemistry","2016","81","4","1378","1390","10.1021/acs.joc.5b02337","","","0.71069","MoKα","","0.0534","0.0468","","","0.1096","0.1154","","","","","","1.023","","","","has coordinates","177232","2020-10-21","18:00:00",""
"4031897","6.4902","0.0001","16.0682","0.0002","19.2321","0.0003","90","","91.03","0.001","90","","2005.31","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","2","","Zhang, Yu-Chen; Zhu, Qiu-Ning; Yang, Xue; Zhou, Lu-Jia; Shi, Feng","Merging Chiral Brønsted Acid/Base Catalysis: An Enantioselective [4 + 2] Cycloaddition of o-Hydroxystyrenes with Azlactones.","The Journal of organic chemistry","2016","81","4","1681","1688","10.1021/acs.joc.6b00078","","","1.54178","CuKα","","0.0465","0.0454","","","0.1169","0.1179","","","","","","1.053","","","","has coordinates","177233","2020-10-21","18:00:00",""
"4031898","9.1089","0.0018","9.794","0.002","10.309","0.002","90","","90","","90","","919.7","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N4 O0 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin","Copper-Catalyzed N-Arylation of Azoles and Mannich-Type Coupling of Ketones and Azoles under Metal-Free Conditions.","The Journal of organic chemistry","2016","81","4","1476","1483","10.1021/acs.joc.5b02593","","","0.71073","MoKα","","0.0374","0.0326","","","0.0883","0.0915","","","","","","1.051","","","","has coordinates","177234","2020-10-21","18:00:00",""
"4031899","21.104","0.004","5.9925","0.0012","20.403","0.004","90","","95.16","0.03","90","","2569.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","","Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin","Copper-Catalyzed N-Arylation of Azoles and Mannich-Type Coupling of Ketones and Azoles under Metal-Free Conditions.","The Journal of organic chemistry","2016","81","4","1476","1483","10.1021/acs.joc.5b02593","","","0.71073","MoKα","","0.0957","0.0496","","","0.143","0.1795","","","","","","1.023","","","","has coordinates","177235","2020-10-21","18:00:00",""
"4031900","7.1498","0.0008","12.4223","0.0014","15.922","0.0017","90","","101.145","0.006","90","","1387.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Singh, Bijaya Kumar; Jana, Ranjan","Ligand-Enabled, Copper-Promoted Regio- and Chemoselective Hydroxylation of Arenes, Aryl Halides, and Aryl Methyl Ethers.","The Journal of organic chemistry","2016","81","3","831","841","10.1021/acs.joc.5b02302","","","0.71073","MoKα","","0.0642","0.045","","","0.1152","0.1293","","","","","","1.054","","","","has coordinates","177237","2020-10-21","18:00:00",""
"4031901","9.0301","0.0011","9.6899","0.0011","11.5773","0.0014","89.237","0.005","88.378","0.006","70.942","0.004","957.1","0.2","293","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C46 H40 O10 -","2","1","","Mal, Kanchan; Das, Indrajit","Base Induced Chiral Substituted Furans and Imidazoles from Carbohydrate-Derived 2-Haloenones.","The Journal of organic chemistry","2016","81","3","932","945","10.1021/acs.joc.5b02500","","","0.71073","MoKα","","0.0492","0.0422","","","0.1106","0.1169","","","","","","1.055","","","","has coordinates","177238","2020-10-21","18:00:00",""
"4031902","15.0063","0.0014","18.8148","0.0017","19.7847","0.0017","81.121","0.004","75.859","0.004","71.583","0.004","5121.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 I2 O4 -","- C16 H16 I2 O4 -","- C192 H192 I24 O48 -","12","6","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0749","0.059","","","0.1521","0.162","","","","","","0.913","","","","has coordinates","177239","2020-10-21","18:00:00",""
"4031903","8.523","0.0002","10.0979","0.0003","12.3744","0.0003","67.425","0.001","86.163","0.001","69.144","0.001","915.95","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Br4 O4 -","- C16 H14 Br4 O4 -","- C32 H28 Br8 O8 -","2","1","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0208","0.0178","","","0.0433","0.0442","","","","","","1.015","","","","has coordinates","177240","2020-10-21","18:00:00",""
"4031904","13.0893","0.0003","11.2066","0.0003","17.8513","0.0004","90","","107.849","0.001","90","","2492.51","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","1","","Bentley, Keith W.; Joyce, Leo A.; Sherer, Edward C.; Sheng, Huaming; Wolf, Christian; Welch, Christopher J.","Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.","The Journal of organic chemistry","2016","81","3","1185","1191","10.1021/acs.joc.5b02716","","","0.71073","MoKα","","0.0567","0.0403","","","0.1039","0.1121","","","","","","0.957","","","","has coordinates","177241","2020-10-21","18:00:00",""
"4031905","9.1784","0.0002","10.2343","0.0002","10.5109","0.0003","98.755","0.002","113.273","0.002","114.44","0.001","764.64","0.04","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O -","- C22 H14 O -","- C44 H28 O2 -","2","1","","Paul, Kartick; Jalal, Swapnadeep; Kundal, Sandip; Jana, Umasish","Synthesis of Fused Dibenzofuran Derivatives via Palladium-Catalyzed Domino C-C Bond Formation and Iron-Catalyzed Cycloisomerization/Aromatization.","The Journal of organic chemistry","2016","81","3","1164","1174","10.1021/acs.joc.5b02637","","","0.71073","MoKα","","0.0903","0.0509","","","0.128","0.1476","","","","","","1.034","","","","has coordinates","177242","2020-10-21","18:00:00",""
"4031906","6.0855","0.0004","20.704","0.0013","9.2928","0.0006","90","","107.58","0.001","90","","1116.16","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O5 P -","- C23 H33 O5 P -","- C46 H66 O10 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.0255","0.0255","","","0.0655","0.0656","","","","","","1.069","","","","has coordinates","177243","2020-10-21","18:00:00",""
"4031907","7.9652","0.0009","9.6983","0.001","9.7159","0.001","90","","99.7908","0.0016","90","","739.61","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 O4 P -","- C14 H23 O4 P -","- C28 H46 O8 P2 -","2","1","","Markley, Jana L.; Maitra, Soma; Hanson, Paul R.","Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.","The Journal of organic chemistry","2016","81","3","899","911","10.1021/acs.joc.5b02473","","","1.54178","CuKα","","0.022","0.022","","","0.0562","0.0562","","","","","","1.093","","","","has coordinates","177244","2020-10-21","18:00:00",""
"4031908","9.0005","0.0005","9.8533","0.0005","10.2837","0.0005","86.35","0.003","84.591","0.003","85.213","0.003","903.35","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br N O5 S -","- C17 H16 Br N O5 S -","- C34 H32 Br2 N2 O10 S2 -","2","1","","Wei, Pei-Shun; Wang, Meng-Xue; Xu, Dong-Cheng; Xie, Jian-Wu","Synthesis of 2,3-Dihydrothieno(2,3-b)quinolines and Thieno(2,3-b)- quinolines via an Unexpected Domino Aza-MBH/Alkylation/Aldol Reaction.","The Journal of organic chemistry","2016","81","3","1216","1222","10.1021/acs.joc.5b02369","","","0.71073","MoKα","","0.0743","0.0489","","","0.1434","0.1626","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031909","16.5377","0.0002","7.9752","0.0001","13.0814","0.0002","90","","92.575","0.001","90","","1723.58","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Wei, Pei-Shun; Wang, Meng-Xue; Xu, Dong-Cheng; Xie, Jian-Wu","Synthesis of 2,3-Dihydrothieno(2,3-b)quinolines and Thieno(2,3-b)- quinolines via an Unexpected Domino Aza-MBH/Alkylation/Aldol Reaction.","The Journal of organic chemistry","2016","81","3","1216","1222","10.1021/acs.joc.5b02369","","","0.71073","MoKα","","0.049","0.0427","","","0.1263","0.1331","","","","","","1.058","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031910","7.5963","0.0002","18.1171","0.0006","11.602","0.0003","90","","90","","90","","1596.7","0.08","571","2","571","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","","Wei, Jun; Jiang, Jingxing; Xiao, Xinsheng; Lin, Dongen; Deng, Yuanfu; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Copper-Catalyzed Regioselective C-H Sulfonylation of 8-Aminoquinolines.","The Journal of organic chemistry","2016","81","3","946","955","10.1021/acs.joc.5b02509","","","1.54178","CuKα","","0.0336","0.033","","","0.0875","0.0881","","","","","","1.08","","","","has coordinates","177247","2020-10-21","18:00:00",""
"4031911","9.0085","0.0005","11.9601","0.0007","16.9214","0.001","90","","90","","90","","1823.15","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl2 N O -","- C21 H17 Cl2 N O -","- C84 H68 Cl8 N4 O4 -","4","1","","Patel, Darshan C.; Breitbach, Zachary S.; Woods, Ross M.; Lim, Yeeun; Wang, Andy; Jr, Frank W Foss; Armstrong, Daniel W.","Gram Scale Conversion of R-BINAM to R-NOBIN.","The Journal of organic chemistry","2016","81","3","1295","1299","10.1021/acs.joc.5b02663","","","0.71073","MoKα","","0.0563","0.0545","","","0.198","0.2057","","","","","","1.321","","","","has coordinates","177248","2020-10-21","18:00:00",""
"4031912","8.9759","0.0002","9.7135","0.0002","14.17","0.0003","98.454","0.001","105.814","0.001","91.27","0.001","1173.25","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O6 -","- C27 H28 O6 -","- C54 H56 O12 -","2","1","","Akbar, Sikkandarkani; Srinivasan, Kannupal","Iron-Catalyzed Tandem Conia-Ene/Friedel-Crafts Reactions of o-Alkynyldihydrochalcones: Access to Benzo[b]fluorenes.","The Journal of organic chemistry","2016","81","3","1229","1236","10.1021/acs.joc.5b02391","","","0.71073","MoKα","","0.0725","0.0453","","","0.1138","0.1327","","","","","","0.98","","","","has coordinates","177249","2020-10-21","18:00:00",""
"4031913","5.9887","0.0002","10.5588","0.0003","28.4505","0.0009","90","","90","","90","","1799.02","0.1","210","2","210","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","7,11,18,21-Tetrathiatrispiro[5.2.2.512.29.26]henicosane","","- C17 H28 S4 -","- C17 H28 S4 -","- C68 H112 S16 -","4","0.5","","Wessig, P.; Gerngroß, M; Freyse, D.; Bruhns, P.; Przezdziak, M.; Schilde, U.; Kelling, A.","Molecular Rods Based on Oligo-spiro-thioketals.","The Journal of organic chemistry","2016","81","3","1125","1136","10.1021/acs.joc.5b02670","","","0.71073","MoKα","","0.0397","0.0365","","","0.0972","0.0987","","","","","","1.072","","","","has coordinates","177250","2020-10-21","18:00:00",""
"4031914","12.119","0.004","7.848","0.002","27.185","0.008","90","","90.261","0.009","90","","2585.5","1.3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 B F2 N2 -","- C37 H23 B F2 N2 -","- C148 H92 B4 F8 N8 -","4","1","","Yamazawa, Sho; Nakashima, Mika; Suda, Yukie; Nishiyabu, Ryuhei; Kubo, Yuji","2,3-Naphtho-Fused BODIPYs as Near-Infrared Absorbing Dyes.","The Journal of organic chemistry","2016","81","3","1310","1315","10.1021/acs.joc.5b02720","","","0.71075","MoKα","","0.0504","0.0387","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","177251","2020-10-21","18:00:00",""
"4031915","11.8598","0.0004","19.9474","0.0011","13.9976","0.0005","90","","92.895","0.003","90","","3307.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14.25 H21 N8 O4.25 -","- C14.25 H21 N8 O4.25 -","- C114 H168 N64 O34 -","8","2","","Stancl, Marek; Gargulakova, Zuzana; Sindelar, Vladimir","Correction to ""Glycoluril Dimer Isomerization under Aqueous Acidic Conditions Related to Cucurbituril Formation"".","The Journal of organic chemistry","2016","81","3","1316","","10.1021/acs.joc.6b00024","","","0.71073","MoKα","","0.069","0.0396","","","0.1125","0.1314","","","","","","0.992","","","","has coordinates,has disorder","177252","2020-10-21","18:00:00",""
"4031916","12.2122","0.0014","9.7378","0.0012","11.5756","0.0014","90","","90.414","0.002","90","","1376.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0487","0.0429","","","0.1185","0.1239","","","","","","1.041","","","","has coordinates","177253","2020-10-21","18:00:00",""
"4031917","6.6165","0.0001","8.5077","0.0002","15.0826","0.0003","90","","90","","90","","849.02","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","1.54178","CuKα","","0.053","0.0468","","","0.1128","0.1345","","","","","","1.179","","","","has coordinates","177254","2020-10-21","18:00:00",""
"4031918","13.6518","0.0017","9.812","0.0012","12.3174","0.0015","90","","112.549","0.002","90","","1523.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0545","0.0429","","","0.1075","0.1158","","","","","","1.032","","","","has coordinates","177255","2020-10-21","18:00:00",""
"4031919","7.8685","0.0007","16.8026","0.0014","10.9944","0.0009","90","","106.843","0.001","90","","1391.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","0.71073","MoKα","","0.0724","0.0598","","","0.1732","0.1859","","","","","","1.069","","","","has coordinates","177256","2020-10-21","18:00:00",""
"4031920","7.6988","0.0004","10.1399","0.0006","10.4688","0.0005","98.485","0.003","110.24","0.002","103.21","0.003","723.16","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 O4 -","- C14 H17 Cl N2 O4 -","- C28 H34 Cl2 N4 O8 -","2","1","","Durel, Vianney; Lalli, Claudia; Roisnel, Thierry; Weghe, Pierre van de","Synergistic Effect of the TiCl4/p-TsOH Promoter System on the Aza-Prins Cyclization.","The Journal of organic chemistry","2016","81","3","849","859","10.1021/acs.joc.5b02342","","x-ray","0.71073","MoKα","","0.0412","0.0352","","","0.0863","0.0904","","","","","","1.034","","","","has coordinates","177257","2020-10-21","18:00:00",""
"4031921","5.4944","0.0006","17.8095","0.0014","23.213","0.003","90","","90","","90","","2271.5","0.4","150","2","150","2","","","","","","","synthesis as described","5","P c a n","-P 2n 2c","60","","","","- C11 H13 Br Cl N -","- C11 H13 Br Cl N -","- C88 H104 Br8 Cl8 N8 -","8","1","","Durel, Vianney; Lalli, Claudia; Roisnel, Thierry; Weghe, Pierre van de","Synergistic Effect of the TiCl4/p-TsOH Promoter System on the Aza-Prins Cyclization.","The Journal of organic chemistry","2016","81","3","849","859","10.1021/acs.joc.5b02342","","x-ray","0.71073","MoKα","","0.0896","0.0446","","","0.0892","0.1052","","","","","","0.975","","","","has coordinates","177258","2020-10-21","18:00:00",""
"4031922","5.7757","0.0005","11.9628","0.0012","11.9927","0.0012","70.251","0.003","89.805","0.002","87.3","0.002","778.95","0.13","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","7-phenyl-6H-chromeno[4,3-b]quinoline","","- C22 H15 N O -","- C22 H15 N O -","- C44 H30 N2 O2 -","2","1","","Aradi, Klára; Bombicz, Petra; Novák, Zoltán","Modular Copper-Catalyzed Synthesis of Chromeno[4,3-b]quinolines with the Utilization of Diaryliodonium Salts.","The Journal of organic chemistry","2016","81","3","920","931","10.1021/acs.joc.5b02490","","","0.71075","MoKα","","0.0837","0.0549","","","0.1539","0.1962","","","","","","1.157","","","","has coordinates","177259","2020-10-21","18:00:00",""
"4031923","17.355","0.004","9.4432","0.0019","20.162","0.004","90","","90","","90","","3304.3","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl O -","- C22 H15 Cl O -","- C176 H120 Cl8 O8 -","8","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.11","0.0539","","","0.1337","0.1638","","","","","","0.978","","","","has coordinates","177260","2020-10-21","18:00:00",""
"4031924","6.4783","0.0013","8.4999","0.0017","23.571","0.005","90","","90","","90","","1297.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.058","0.0276","","","0.0686","0.0833","","","","","","0.914","","","","has coordinates","177261","2020-10-21","18:00:00",""
"4031925","17.844","0.003","16.028","0.003","16.127","0.003","90","","93.772","0.005","90","","4602.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 Cl3 Cu N4 O2 -","- C55 H47 Cl3 Cu N4 O2 -","- C220 H188 Cl12 Cu4 N16 O8 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Bringmann, Gerhard","Axial, Helical, and Planar Chirality in Directly Linked Basket-Handle Porphyrin Arrays.","The Journal of organic chemistry","2016","81","3","1075","1088","10.1021/acs.joc.5b02638","","","0.71073","MoKα","","0.1174","0.0632","","","0.1541","0.1889","","","","","","1.026","","","","has coordinates,has disorder","177262","2020-10-21","18:00:00",""
"4031926","9.718","0.0005","22.6793","0.0013","13.0099","0.0007","90","","102.826","0.004","90","","2795.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H43 Br2 N4 O2.5 -","- C27 H43 Br2 N4 O2.5 -","- C108 H172 Br8 N16 O10 -","4","1","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.0819","0.0534","","","0.143","0.1558","","","","","","1.013","","","","has coordinates","177263","2020-10-21","18:00:00",""
"4031927","14.54","0.0009","10.1743","0.0008","18.1427","0.0011","90","","102.778","0.005","90","","2617.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Br2 N4 O -","- C26 H38 Br2 N4 O -","- C104 H152 Br8 N16 O4 -","4","1","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.1519","0.0998","","","0.2221","0.2426","","","","","","1.05","","","","has coordinates,has disorder","177264","2020-10-21","18:00:00",""
"4031928","10.7048","0.0007","13.9924","0.0008","18.8717","0.0013","90","","90","","90","","2826.7","0.3","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H42 Br2 N4 O -","- C28 H42 Br2 N4 O -","- C112 H168 Br8 N16 O4 -","4","0.5","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.0842","0.0626","","","0.1441","0.1532","","","","","","0.914","","","","has coordinates","177265","2020-10-21","18:00:00",""
"4031929","8.087","0.0008","9.6789","0.0009","16.5891","0.0015","90.513","0.001","103.315","0.002","92.59","0.001","1262","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl2 I N4 O3 S -","- C24 H17 Cl2 I N4 O3 S -","- C48 H34 Cl4 I2 N8 O6 S2 -","2","1","","Wang, Ai-Fang; Zhu, Yi-Long; Wang, Shu-Liang; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Metal-Free Radical Haloazidation of Benzene-Tethered 1,7-Enynes Leading to Polyfunctionalized 3,4-Dihydroquinolin-2(1H)-ones.","The Journal of organic chemistry","2016","81","3","1099","1105","10.1021/acs.joc.5b02655","","","0.71073","MoKα","","0.0656","0.0452","","","0.1121","0.1193","","","","","","1.057","","","","has coordinates","177266","2020-10-21","18:00:00",""
"4031931","8.4658","0.0012","12.7598","0.0018","14.619","0.002","75.041","0.002","89.508","0.002","87.31","0.002","1524","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","tetraethoxy dioxo-bis-bispidine","","","- C27 H46 Cl2 N4 O6 -","- C27 H46 Cl2 N4 O6 -","- C54 H92 Cl4 N8 O12 -","2","1","","Wang, Zhuo; Islam, Md Jahirul; Vukotic, V. Nicholas; Revington, Matthew J.","Conformational Study of N,N'-Diacyl Bispidines and Dioxo Bis-bispidines: Planar Chirality and Molecular Switching.","The Journal of organic chemistry","2016","81","7","2981","2986","10.1021/acs.joc.6b00250","","","0.71073","MoKα","","0.0862","0.0553","","","0.1235","0.1386","","","","","","1.018","","","","has coordinates","181438","2020-10-21","18:00:00",""
"4031932","8.2504","0.0011","9.6655","0.0013","11.6169","0.0015","100.467","0.001","91.12","0.001","107.542","0.001","865.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diethoxy N,N'-di(chloroacetyl)bispidine","","","- C15 H24 Cl2 N2 O4 -","- C15 H24 Cl2 N2 O4 -","- C30 H48 Cl4 N4 O8 -","2","1","","Wang, Zhuo; Islam, Md Jahirul; Vukotic, V. Nicholas; Revington, Matthew J.","Conformational Study of N,N'-Diacyl Bispidines and Dioxo Bis-bispidines: Planar Chirality and Molecular Switching.","The Journal of organic chemistry","2016","81","7","2981","2986","10.1021/acs.joc.6b00250","","","0.71073","MoKα","","0.0354","0.0308","","","0.0761","0.0801","","","","","","0.996","","","","has coordinates","181438","2020-10-21","18:00:00",""
"4031933","16.3112","0.0009","5.7559","0.0003","17.7642","0.001","90","","94.2846","0.0015","90","","1663.14","0.16","93","0.2","93","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","2","","Ubukata, Shino; Ito, Jun-Ichi; Oguri, Ryota; Nishiyama, Hisao","Asymmetric Three-Component Coupling Reaction of Alkyne, Enone, and Aldehyde Catalyzed by Chiral Phebox Ruthenium Catalysts.","The Journal of organic chemistry","2016","81","8","3347","3355","10.1021/acs.joc.6b00374","","","0.71073","MoKα","","0.0279","0.0265","","","0.0647","0.0653","","","","","","1.171","","","","has coordinates","182507","2020-10-21","18:00:00",""
"4031934","6.1436","0.0004","6.8104","0.0006","10.8156","0.0009","87.661","0.007","78.156","0.007","83.52","0.006","439.99","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","","Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang","Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction.","The Journal of organic chemistry","2016","81","7","2763","2769","10.1021/acs.joc.5b02829","","","1.54184","CuKα","","0.042","0.0374","","","0.1009","0.1045","","","","","","1.088","","","","has coordinates","181337","2020-10-21","18:00:00",""
"4031935","7.083","0.0002","7.1796","0.0002","11.8698","0.0003","90","","92.156","0.003","90","","603.19","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 F O3 -","- C14 H15 F O3 -","- C28 H30 F2 O6 -","2","1","","Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang","Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction.","The Journal of organic chemistry","2016","81","7","2763","2769","10.1021/acs.joc.5b02829","","","1.54184","CuKα","","0.0313","0.0295","","","0.0808","0.0827","","","","","","1.058","","","","has coordinates","181338","2020-10-21","18:00:00",""
"4031936","21.975","0.0005","7.9493","0.0002","19.2418","0.0006","90","","104.993","0.001","90","","3246.84","0.15","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C152 H128 N32 O8 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.094","0.0632","","","0.1328","0.1529","","","","","","1.103","","","","has coordinates","181339","2020-10-21","18:00:00",""
"4031937","9.392","0.0005","9.6342","0.0005","13.7713","0.0008","77.113","0.002","81.781","0.002","65.015","0.005","1099.35","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C54 H58 N6 -","2","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.061","0.0533","","","0.1408","0.1492","","","","","","1.017","","","","has coordinates,has disorder","181340","2020-10-21","18:00:00",""
"4031938","11.7471","0.0001","13.291","0.0001","11.5874","0.0001","90","","106.749","0.001","90","","1732.4","0.03","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C80 H92 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0482","0.044","","","0.1111","0.115","","","","","","1.037","","","","has coordinates","181341","2020-10-21","18:00:00",""
"4031939","22.1401","0.0007","10.4147","0.0004","14.3555","0.0007","90","","100.699","0.003","90","","3252.6","0.2","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17.5 H19 N4 O0.5 -","- C17.5 H19 N4 O0.5 -","- C140 H152 N32 O4 -","8","2","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0403","0.0382","","","0.095","0.097","","","","","","1.035","","","","has coordinates,has disorder","181342","2020-10-21","18:00:00",""
"4031940","9.0878","0.0001","9.202","0.0001","9.5148","0.0002","95.924","0.001","110.639","0.001","96.782","0.001","730.37","0.02","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H23 N3 -","- C17 H23 N3 -","- C34 H46 N6 -","2","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0427","0.0412","","","0.1047","0.1061","","","","","","1.033","","","","has coordinates","181343","2020-10-21","18:00:00",""
"4031941","5.3908","0.0004","12.7036","0.0008","21.4042","0.0016","90","","92.502","0.003","90","","1464.42","0.18","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0913","0.0533","","","0.1232","0.1487","","","","","","1.046","","","","has coordinates","181344","2020-10-21","18:00:00",""
"4031942","14.5287","0.0001","5.131","0.0001","18.0984","0.0001","90","","106.735","0.001","90","","1292.04","0.03","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0569","0.0429","","","0.1094","0.12","","","","","","1.025","","","","has coordinates","181345","2020-10-21","18:00:00",""
"4031943","12.3812","0.0003","5.6553","0.0001","18.7769","0.0005","90","","92.864","0.001","90","","1313.11","0.05","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.0672","0.0459","","","0.1149","0.1262","","","","","","1.033","","","","has coordinates","181346","2020-10-21","18:00:00",""
"4031944","13.174","0.0006","9.647","0.0004","16.383","0.0007","90","","113.416","0.002","90","","1910.63","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C84 H96 N16 O4 -","4","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0524","0.047","","","0.1241","0.1294","","","","","","1.035","","","","has coordinates","181347","2020-10-21","18:00:00",""
"4031945","17.2832","0.0009","10.5241","0.0005","16.7531","0.0008","90","","102","0.005","90","","2980.6","0.3","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 N4 -","- C15 H22 N4 -","- C120 H176 N32 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0509","0.0427","","","0.1094","0.1162","","","","","","1.021","","","","has coordinates","181348","2020-10-21","18:00:00",""
"4031946","15.8339","0.0004","3.9749","0.0001","16.9483","0.0004","90","","101.628","0.001","90","","1044.8","0.04","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","0.5","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","1.54178","CuKα","","0.0495","0.0427","","","0.1085","0.1152","","","","","","1.055","","","","has coordinates","181349","2020-10-21","18:00:00",""
"4031947","16.8777","0.0004","9.1711","0.0002","21.9473","0.0006","90","","91.346","0.001","90","","3396.22","0.14","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C160 H176 N32 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.0573","0.051","","","0.1192","0.1257","","","","","","1.086","","","","has coordinates","181350","2020-10-21","18:00:00",""
"4031948","15.602","0.0004","12.952","0.0003","11.0992","0.0002","90","","103.31","0.001","90","","2182.65","0.09","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","1","","Wrobel, Agnes Johanna; Lucchesi, Ralph; Wibbeling, Birgit; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Würthwein, Ernst-Ulrich","1,3,5-Triazapentadienes by Nucleophilic Addition to 1,3- and 1,4-Dinitriles-Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.","The Journal of organic chemistry","2016","81","7","2849","2863","10.1021/acs.joc.6b00126","","","0.71073","MoKα","","0.081","0.0607","","","0.128","0.1397","","","","","","1.09","","","","has coordinates","181351","2020-10-21","18:00:00",""
"4031949","11.6415","0.0007","14.699","0.0008","6.9416","0.0004","90","","100.918","0.004","90","","1166.33","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N5 S2 -","- C12 H7 N5 S2 -","- C48 H28 N20 S8 -","4","1","","Mota, Alberto A. R.; Corrêa, José R; Carvalho, Pedro H. P. R.; de Sousa, Núbia M P; de Oliveira, Heibbe C. B.; Gatto, Claudia C.; da Silva Filho, Demétrio A; de Oliveira, Aline L.; Neto, Brenno A. D.","Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole.","The Journal of organic chemistry","2016","81","7","2958","2965","10.1021/acs.joc.6b00245","","","0.71073","MoKα","","0.0838","0.0457","","","0.0966","0.1151","","","","","","1.039","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031950","11.2442","0.0006","12.6155","0.0007","11.9818","0.0007","90","","92.599","0.003","90","","1697.88","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","1.54178","CuKα","","0.0463","0.0413","","","0.1161","0.13","","","","","","1.121","","","","has coordinates","181353","2020-10-21","18:00:00",""
"4031951","8.3105","0.0003","9.6129","0.0003","28.8543","0.001","90","","96.657","0.002","90","","2289.57","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O -","- C31 H31 O -","- C124 H124 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","1.54178","CuKα","","0.0804","0.0483","","","0.1057","0.1187","","","","","","1.041","","","","has coordinates","181354","2020-10-21","18:00:00",""
"4031952","9.2006","0.0004","10.9573","0.0006","13.7554","0.0006","95.316","0.002","99.204","0.001","114.807","0.001","1222.66","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H48 F10 O2 -","- C63 H48 F10 O2 -","- C63 H48 F10 O2 -","1","0.5","","Hu, Pan; Lee, Sangsu; Park, Kyu Hyung; Das, Soumyajit; Herng, Tun Seng; Gonçalves, Théo P; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure.","The Journal of organic chemistry","2016","81","7","2911","2919","10.1021/acs.joc.6b00172","","","0.71073","MoKα","","0.0635","0.0529","","","0.1401","0.1467","","","","","","1.059","","","","has coordinates,has disorder","181355","2020-10-21","18:00:00",""
"4031953","13.9053","0.0007","6.1919","0.0003","16.7754","0.0011","90","","99.909","0.002","90","","1422.82","0.14","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N5 O -","- C16 H15 N5 O -","- C64 H60 N20 O4 -","4","1","","Åkerbladh, Linda; Odell, Luke R.","Synthesis of 2-Aminoquinazolinones via Carbonylative Coupling of ortho-Iodoanilines and Cyanamide.","The Journal of organic chemistry","2016","81","7","2966","2973","10.1021/acs.joc.6b00249","","","0.71073","MoKα","","0.1721","0.0631","","","0.1142","0.1449","","","","","","0.969","","","","has coordinates","181356","2020-10-21","18:00:00",""
"4031954","5.304","0.0003","6.0907","0.0003","16.9947","0.001","90","","91.708","0.005","90","","548.77","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C24 H18 Br2 O6 -","2","1","","Li, Yanan; Hu, Yanbin; Zhang, Sheng; Sun, Jianan; Li, Lijun; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Enantioselective Hetero-Diels-Alder Reaction of Danishefsky's Diene with Glyoxals.","The Journal of organic chemistry","2016","81","7","2993","2999","10.1021/acs.joc.5b02780","","","1.54184","CuKα","","0.0667","0.0661","","","0.1676","0.1681","","","","","","1.027","","","","has coordinates","181357","2020-10-21","18:00:00",""
"4031955","10.1738","0.0002","10.6826","0.0001","17.3464","0.0003","90","","103.28","0.0016","90","","1834.84","0.05","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","Palladium-Catalyzed Ullmann Cross-Coupling/Tandem Reductive Cyclization Route to Key Members of the Uleine Alkaloid Family.","The Journal of organic chemistry","2016","81","7","2950","2957","10.1021/acs.joc.6b00240","","","1.54184","CuKα","","0.0353","0.0312","","0.075","0.0722","0.075","","","","","","0.9903","","","","has coordinates","181358","2020-10-21","18:00:00",""
"4031956","8.56836","0.0001","12.02612","0.00014","14.15115","0.00014","90","","90","","90","","1458.19","0.03","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","Palladium-Catalyzed Ullmann Cross-Coupling/Tandem Reductive Cyclization Route to Key Members of the Uleine Alkaloid Family.","The Journal of organic chemistry","2016","81","7","2950","2957","10.1021/acs.joc.6b00240","","","1.54184","CuKα","","0.0276","0.0269","","0.0691","0.0686","0.0691","","","","","","1.0024","","","","has coordinates","181359","2020-10-21","18:00:00",""
"4031957","8.0726","0.0005","10.504","0.0006","16.4544","0.0011","90","","90","","90","","1395.24","0.15","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0478","0.0378","","","0.0934","0.0996","","","","","","1.077","","","","has coordinates","181360","2020-10-21","18:00:00",""
"4031958","9.6634","0.0005","9.6634","0.0005","14.0625","0.001","90","","90","","90","","1313.17","0.13","200","2","200","2","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0368","0.0329","","","0.0791","0.0818","","","","","","1.114","","","","has coordinates","181361","2020-10-21","18:00:00",""
"4031959","18.3402","0.0017","5.2971","0.0006","17.7876","0.0019","90","","108.308","0.012","90","","1640.6","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Vidyacharan, Shinde; Murugan, Arumugavel; Sharada, Duddu S.","C(sp(2))-H Functionalization of 2H-Indazoles at C3-Position via Palladium(II)-Catalyzed Isocyanide Insertion Strategy Leading to Diverse Heterocycles.","The Journal of organic chemistry","2016","81","7","2837","2848","10.1021/acs.joc.6b00048","","","1.54184","CuKα","","0.0781","0.0528","","","0.1402","0.1597","","","","","","1.0651","","","","has coordinates","181362","2020-10-21","18:00:00",""
"4031960","9.6457","0.0018","10.255","0.002","10.4809","0.0019","114.778","0.019","103.217","0.016","93.707","0.016","901.1","0.3","295.42","0.1","295.42","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","1","","Chen, Fei; Yang, Xiu-Long; Wu, Zhi-Wei; Han, Bing","Synthesis of Isoxazoline/Cyclic Nitrone-Featured Methylenes Using Unsaturated Ketoximes: A Dual Role of TEMPO.","The Journal of organic chemistry","2016","81","7","3042","3050","10.1021/acs.joc.6b00180","","x-ray","0.71073","MoKα","","0.1005","0.059","","","0.1169","0.1441","","","","","","1.037","","","","has coordinates","181363","2020-10-21","18:00:00",""
"4031961","9.9162","0.001","12.1827","0.0009","11.4435","0.0012","90","","106.801","0.012","90","","1323.4","0.2","293.66","0.1","293.66","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Chen, Fei; Yang, Xiu-Long; Wu, Zhi-Wei; Han, Bing","Synthesis of Isoxazoline/Cyclic Nitrone-Featured Methylenes Using Unsaturated Ketoximes: A Dual Role of TEMPO.","The Journal of organic chemistry","2016","81","7","3042","3050","10.1021/acs.joc.6b00180","","","0.71","MoKα","","0.0722","0.0486","","","0.12","0.1391","","","","","","1.046","","","","has coordinates","181364","2020-10-21","18:00:00",""
"4031962","10.59","0.002","6.6123","0.0013","10.786","0.002","90","","95.25","0.03","90","","752.1","0.3","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C34 H32 N4 O12 -","2","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0751","0.0683","","","0.1973","0.2361","","","","","","1.328","","","","has coordinates","181365","2020-10-21","18:00:00",""
"4031963","8.503","0.002","19.136","0.004","24.138","0.005","90","","90","","90","","3927.6","1.5","170","2","170","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C168 H192 N16 O56 -","8","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0518","0.0458","","","0.1119","0.1179","","","","","","1.001","","","","has coordinates","181366","2020-10-21","18:00:00",""
"4031964","14.8466","0.0006","9.9164","0.0004","15.3707","0.0006","90","","94.973","0.001","90","","2254.43","0.16","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 N5 O2 P Pd -","- C25 H24 N5 O2 P Pd -","- C100 H96 N20 O8 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0274","0.0217","","","0.0531","0.0558","","","","","","0.91","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4031965","9.3167","0.0006","12.8999","0.0008","20.3246","0.0014","90","","90","","90","","2442.7","0.3","100","2","100","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C26 H24 N5 O3 P Pd -","- C26 H24 N5 O3 P Pd -","- C104 H96 N20 O12 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0459","0.0338","","","0.0734","0.078","","","","","","0.995","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4031966","6.3928","0.0013","14.653","0.003","16.301","0.003","90","","90","","90","","1527","0.5","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O7 -","- C16 H16 N2 O7 -","- C64 H64 N8 O28 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0573","0.0437","","","0.1114","0.134","","","","","","1.14","","","","has coordinates","181368","2020-10-21","18:00:00",""
"4031967","14.795","0.0003","14.795","0.0003","7.3373","0.0002","90","","90","","90","","1606.08","0.06","296","2","296","2","","","","","","","","5","P 42","P 4c","77","","","","- C14 H25 N O4 S -","- C14 H25 N O4 S -","- C56 H100 N4 O16 S4 -","4","1","","Dowling, Matthew S.; Fernando, Dilinie P.; Hou, Jie; Liu, Bo; Smith, Aaron C.","Two Scalable Syntheses of (S)-2-Methylazetidine.","The Journal of organic chemistry","2016","81","7","3031","3036","10.1021/acs.joc.6b00149","","","1.54178","CuKα","","0.0458","0.039","","","0.0981","0.1018","","","","","","1.071","","","","has coordinates","181369","2020-10-21","18:00:00",""
"4031968","6.0845","0.0018","7.566","0.002","25.221","0.007","88.323","0.005","89.896","0.005","86.032","0.005","1157.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","2","","Xu, Cheng; Jia, Feng-Cheng; Zhou, Zhi-Wen; Zheng, Si-Jie; Li, Han; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromoaldehydes, Benzylamines, and Sodium Azide for the Assembly of Quinazoline Derivatives.","The Journal of organic chemistry","2016","81","7","3000","3006","10.1021/acs.joc.5b02843","","","0.71073","MoKα","","0.0576","0.0401","","","0.1193","0.1286","","","","","","0.924","","","","has coordinates","181370","2020-10-21","18:00:00",""
"4031969","11.3311","0.0008","19.2315","0.0011","10.608","0.0007","90","","92.046","0.006","90","","2310.2","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N4 O15 -","- C44 H32 N4 O15 -","- C88 H64 N8 O30 -","2","0.5","","Ling, Fei; Wan, Yanjun; Wang, Dongxu; Ma, Cheng","Coupling and Decoupling Approach Enables Palladium-Catalyzed Aerobic Bimolecular Carbocyclizations of Enediynes to 2,6-Diacylnaphthalenes.","The Journal of organic chemistry","2016","81","7","2770","2781","10.1021/acs.joc.5b02870","","","0.71073","MoKα","","0.1051","0.0755","","","0.235","0.2661","","","","","","1.091","","","","has coordinates,has disorder","181371","2020-10-21","18:00:00",""
"4031970","10.929","0.0003","11.0375","0.0003","11.7658","0.0004","106.803","0.001","99.982","0.001","116.422","0.001","1138.79","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O5 -","- C24 H24 Br N O5 -","- C48 H48 Br2 N2 O10 -","2","1","","Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes.","The Journal of organic chemistry","2016","81","7","3023","3030","10.1021/acs.joc.6b00123","","","0.71073","MoKα","","0.0582","0.0476","","","0.136","0.1461","","","","","","1.03","","","","has coordinates","181372","2020-10-21","18:00:00",""
"4031971","9.6284","0.00013","9.6284","0.00013","34.587","0.0007","90","","90","","90","","3206.43","0.09","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C136 H120 Br8 N16 O16 -","8","1","","Weng, Jian-Quan; Fan, Ren-Jie; Deng, Qiao-Man; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Friedel-Crafts Alkylation Reactions of 3-Substituted Indoles with Electron-Deficient Alkenes.","The Journal of organic chemistry","2016","81","7","3023","3030","10.1021/acs.joc.6b00123","","","1.54184","CuKα","","0.0388","0.0377","","","0.0999","0.1007","","","","","","1.068","","","","has coordinates","181373","2020-10-21","18:00:00",""
"4031972","21.203","0.004","5.8478","0.0009","20.613","0.004","90","","118.361","0.012","90","","2249.1","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Cl N2 O4 -","- C24 H25 Cl N2 O4 -","- C96 H100 Cl4 N8 O16 -","4","1","","Liu, Hua-Chao; Tao, Hai-Yan; Cong, Hengjiang; Wang, Chun-Jiang","Silver(I)-Catalyzed Atroposelective Desymmetrization of N-Arylmaleimide via 1,3-Dipolar Cycloaddition of Azomethine Ylides: Access to Octahydropyrrolo[3,4-c]pyrrole Derivatives.","The Journal of organic chemistry","2016","81","9","3752","3760","10.1021/acs.joc.6b00396","","","1.54178","CuKα","","0.0652","0.0593","","","0.1559","0.1624","","","","","","1.074","","","","has coordinates","183592","2020-10-21","18:00:00",""
"4031987","11.722","0.002","6.0787","0.0012","12.996","0.003","90","","114.44","0.03","90","","843","0.4","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie","Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2016","81","11","4690","4700","10.1021/acs.joc.6b00596","","","0.71073","MoKα","","0.0555","0.0422","","","0.1101","0.1135","","","","","","1.082","","","","has coordinates","183590","2020-10-21","18:00:00",""
"4031988","10.881","0.002","19.835","0.004","11.526","0.005","90","","118.23","0.02","90","","2191.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F N O6 -","- C21 H26 F N O6 -","- C84 H104 F4 N4 O24 -","4","1","","Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie","Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2016","81","11","4690","4700","10.1021/acs.joc.6b00596","","","0.71073","MoKα","","0.0615","0.0419","","","0.084","0.0914","","","","","","1.079","","","","has coordinates","183590","2020-10-21","18:00:00",""
"4031989","14.2112","0.0004","17.5594","0.0007","19.6273","0.0007","90","","90","","90","","4897.8","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 F6 O P3 Ru -","- C56 H57 F6 O P3 Ru -","- C224 H228 F24 O4 P12 Ru4 -","4","1","","Ma, Hao-Wei; Chen, Pei-Min; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Chen, Chi-Ren; Chia, Pi-Yeh","Domino Cyclization of 1,n-Enynes (n = 7, 8, 9) Giving Derivatives of Pyrane, Chromene, Fluorene, Phenanthrene and Dibenzo[7]annulene by Ruthenium Complexes.","The Journal of organic chemistry","2016","81","11","4494","4505","10.1021/acs.joc.6b00260","","","0.71073","MoKα","","0.0507","0.0429","","","0.0993","0.1045","","","","","","1.04","","","","has coordinates,has disorder","183591","2020-10-21","18:00:00",""
"4031993","29.279","0.002","9.9611","0.0005","15.2419","0.0012","90","","96.311","0.006","90","","4418.4","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C240 H168 N8 O16 -","8","1","","Pusch, Stefan; Kowalczyk, Danuta; Opatz, Till","A Photoinduced Cobalt-Catalyzed Synthesis of Pyrroles through in Situ-Generated Acylazirines.","The Journal of organic chemistry","2016","81","10","4170","4178","10.1021/acs.joc.6b00511","","","0.71073","MoKα","","0.0886","0.0415","","","0.0858","0.1003","","","","","","0.936","","","","has coordinates","183542","2020-10-21","18:00:00",""
"4031994","6.3347","0.0002","12.7819","0.0004","22.8824","0.0007","90","","90","","90","","1852.78","0.1","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","XFL-13-32","","","- C16 H27 F2 N O7 S -","- C16 H27 F2 N O7 S -","- C64 H108 F8 N4 O28 S4 -","4","1","","Liang, Xiaofei; Gopalaswamy, Ramesh; Navas, 3rd, Frank; Toone, Eric J.; Zhou, Pei","A Scalable Synthesis of the Difluoromethyl-allo-threonyl Hydroxamate-Based LpxC Inhibitor LPC-058.","The Journal of organic chemistry","2016","81","10","4393","4398","10.1021/acs.joc.6b00589","","","0.71073","MoKα","","0.0379","0.0303","","","0.0676","0.0708","","","","","","1.024","","","","has coordinates","183543","2020-10-21","18:00:00",""
"4031995","8.308","0.002","12.155","0.003","16.137","0.004","90","","90","","90","","1629.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Zheng, Yin; Cui, Lei; Wang, Youming; Zhou, Zhenghong","Stereocontrolled Construction of Tetrahydropyrano[2,3-c]pyrazole Scaffold via an Organocatalyzed Formal [3 + 3] Annulation.","The Journal of organic chemistry","2016","81","10","4340","4346","10.1021/acs.joc.6b00196","","","1.54187","CuKα","","0.0245","0.0244","","","0.0661","0.0662","","","","","","1.051","","","","has coordinates","183544","2020-10-21","18:00:00",""
"4031996","20.1569","0.0013","7.495","0.0006","13.1446","0.0005","90","","95.77","0.007","90","","1975.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak","Access to 4,6-Diarylpicolinates via a Domino Reaction of Cyclic Sulfamidate Imines with Morita-Baylis-Hillman Acetates of Nitroolefins/Nitrodienes.","The Journal of organic chemistry","2016","81","10","4378","4385","10.1021/acs.joc.6b00472","","","0.71073","MoKα","","0.0674","0.0586","","","0.2271","0.2411","","","","","","0.773","","","","has coordinates","183545","2020-10-21","18:00:00",""
"4031997","33.3","0.1","5.412","0.005","15","0.03","90","","91.1","0.5","90","","2703","10","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar","Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.","The Journal of organic chemistry","2016","81","10","4179","4189","10.1021/acs.joc.6b00514","","","0.71073","MoKα","","0.0927","0.0526","","","0.1307","0.1441","","","","","","1.013","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4031998","5.5207","0.0006","12.938","0.0012","17.1775","0.0013","94.761","0.007","93.119","0.007","97.721","0.008","1208.9","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C52 H74 N2 O10 -","2","2","","Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar","Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.","The Journal of organic chemistry","2016","81","10","4179","4189","10.1021/acs.joc.6b00514","","","0.71073","MoKα","","0.1027","0.0729","","","0.1612","0.1889","","","","","","1.03","","","","has coordinates","183546","2020-10-21","18:00:00",""
"4031999","14.3541","0.0008","12.9841","0.0009","23.2417","0.0013","90","","90","","90","","4331.7","0.5","295.06","0.1","295.06","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 F2 N2 O2 -","- C23 H26 F2 N2 O2 -","- C184 H208 F16 N16 O16 -","8","1","","Wang, Chao; Chen, Qiao; Guo, Quanping; Liu, Hong; Xu, Zhaoqing; Liu, Yubing; Wang, Mengran; Wang, Rui","Silver-Catalyzed Difluoroamidation of Activated Alkenes for the Construction of Difluorinated 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2016","81","13","5782","5788","10.1021/acs.joc.6b01013","","x-ray","0.71073","MoKα","","0.2101","0.0951","","","0.2415","0.3318","","","","","","1.002","","","","has coordinates","184936","2020-10-21","18:00:00",""
"4032000","20.7774","0.0014","13.3315","0.0005","17.7511","0.0011","90","","114.656","0.008","90","","4468.7","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C208 H232 N8 O32 -","8","2","","Zhurkin, Fedor E.; Hu, Xile","γ-Selective Allylation of (E)-Alkenylzinc Iodides Prepared by Reductive Coupling of Arylacetylenes with Alkyl Iodides.","The Journal of organic chemistry","2016","81","13","5795","5802","10.1021/acs.joc.6b01306","","","0.71073","MoKα","","0.104","0.0603","","","0.1352","0.1574","","","","","","1.024","","","","has coordinates,has disorder","184152","2020-10-21","18:00:00",""
"4032001","12.2536","0.0007","11.1077","0.0006","19.8629","0.0012","90","","96.9","0.002","90","","2683.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O9 -","- C29 H26 N2 O9 -","- C116 H104 N8 O36 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations.","The Journal of organic chemistry","2016","81","13","5513","5524","10.1021/acs.joc.6b00849","","","0.71073","MoKα","","0.0888","0.0588","","","0.1762","0.2192","","","","","","0.838","","","","has coordinates","184153","2020-10-21","18:00:00",""
"4032002","10.3945","0.0006","14.251","0.0008","10.8994","0.0005","90","","104.558","0.002","90","","1562.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","2","","Mukherjee, Prasun; Das, Asish R.","Diastereoselective Synthesis of Structurally and Stereochemically Diversified 2-Oxa-7-azabicyclo[4.1.0]hept-3-enyl Carboxylates and Their Potential Application toward the Synthesis of Functionalized Pyranooxazolone and Pyrrole Derivatives through Skeletal Transformations.","The Journal of organic chemistry","2016","81","13","5513","5524","10.1021/acs.joc.6b00849","","","0.71073","MoKα","","0.0905","0.0538","","","0.1613","0.2075","","","","","","0.83","","","","has coordinates","184154","2020-10-21","18:00:00",""
"4032003","9.3748","0.001","14.9234","0.0016","17.0073","0.0018","90","","105.626","0.002","90","","2291.4","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br Cl N3 O4 -","- C26 H21 Br Cl N3 O4 -","- C104 H84 Br4 Cl4 N12 O16 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.0891","0.0476","","","0.0861","0.0996","","","","","","1.014","","","","has coordinates","184155","2020-10-21","18:00:00",""
"4032004","6.2123","0.0009","11.7333","0.0017","9.8071","0.0014","90","","103.073","0.003","90","","696.32","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 B F4 N2 -","- C15 H15 B F4 N2 -","- C30 H30 B2 F8 N4 -","2","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.0556","0.0461","","","0.0951","0.1007","","","","","","1","","","","has coordinates","184156","2020-10-21","18:00:00",""
"4032005","9.464","0.004","9.749","0.004","24.118","0.009","89.146","0.006","89.296","0.006","89.079","0.006","2224.5","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl N3 O4 -","- C26 H22 Cl N3 O4 -","- C104 H88 Cl4 N12 O16 -","4","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Antonov, Alexander S.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Borodkin, Gennady S.; Fedik, Nikita S.; Dyablo, Olga V.","10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/-N═ Groups. How to Distinguish between Proton Sponges and Pseudo-Proton Sponges.","The Journal of organic chemistry","2016","81","13","5574","5587","10.1021/acs.joc.6b00917","","","0.71073","MoKα","","0.1549","0.0954","","","0.2255","0.2539","","","","","","1.126","","","","has coordinates,has disorder","184157","2020-10-21","18:00:00",""
"4032006","10.4681","0.0004","10.6574","0.0005","17.3657","0.0009","90","","90","","90","","1937.36","0.15","298","","297.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.","One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.","The Journal of organic chemistry","2016","81","13","5606","5622","10.1021/acs.joc.6b00938","","","0.71073","MoKα","","0.0815","0.0525","","","0.1086","0.1198","","","","","","1.059","","","","has coordinates","184158","2020-10-21","18:00:00",""
"4032007","11.4995","0.0004","11.1353","0.0003","15.3917","0.0005","90","","109.315","0.001","90","","1859.98","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.","One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.","The Journal of organic chemistry","2016","81","13","5606","5622","10.1021/acs.joc.6b00938","","","0.71073","MoKα","","0.0856","0.0701","","","0.1793","0.2163","","","","","","1.201","","","","has coordinates","184158","2020-10-21","18:00:00",""
"4032008","13.195","0.005","23.759","0.005","24.771","0.005","90","0.005","90","0.005","90","0.005","7766","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85 H96 Cl2 Mg2 N10 O2 S -","- C85 H96 Cl2 Mg2 N10 O2 S -","- C340 H384 Cl8 Mg8 N40 O8 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71069","MoKα","","0.0987","0.0631","","","0.1445","0.1679","","","","","","1.01","","","","has coordinates,has disorder","184159","2020-10-21","18:00:00",""
"4032009","13.376","0.002","24.659","0.004","24.538","0.004","90","","90.141","0.003","90","","8094","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C177 H209 Cl3 Mg4 N20 O4 S2 -","- C354 H418 Cl6 Mg8 N40 O8 S4 -","2","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.155","0.0893","","","0.193","0.2391","","","","","","1.012","","","","has coordinates","184160","2020-10-21","18:00:00",""
"4032010","13.6073","0.0011","24.816","0.002","25.86","0.002","90","","90","","90","","8732.4","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H112 Mg2 N8 O4 S -","- C96 H112 Mg2 N8 O4 S -","- C384 H448 Mg8 N32 O16 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.0768","0.0579","","","0.1399","0.1522","","","","","","1.047","","","","has coordinates,has disorder","184161","2020-10-21","18:00:00",""
"4032011","22.7449","0.0006","19.7482","0.0006","11.4956","0.0003","90","","115.335","0.001","90","","4666.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 B2 F8 N3 -","- C24 H21 B2 F8 N3 -","- C192 H168 B16 F64 N24 -","8","1","","Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney; Weber, Rachael; Weber, Jacob","Synthesis, Structure, and Photochemical Behavior of [5]Heli-viologen Isomers.","The Journal of organic chemistry","2016","81","13","5474","5486","10.1021/acs.joc.6b00835","","","0.71073","MoKα","","0.0989","0.0745","","","0.2156","0.2443","","","","","","1.036","","","","has coordinates,has disorder","184162","2020-10-21","18:00:00",""
"4032012","10.1491","0.001","11.4621","0.0011","10.7009","0.001","90","","96.569","0.001","90","","1236.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Zhao, Li-Ming; Zhang, Ai-Li; Zhang, Jie-Huan; Gao, Hua-Shuai; Zhou, Wei","Zinc-Mediated C-3 α-Prenylation of Isatins with Prenyl Bromide: Access to 3-Prenyl-3-hydroxy-2-oxindoles and Its Application.","The Journal of organic chemistry","2016","81","13","5487","5494","10.1021/acs.joc.6b00836","","","0.71073","MoKα","","0.0618","0.0485","","","0.1224","0.1322","","","","","","1.045","","","","has coordinates","184163","2020-10-21","18:00:00",""
"4032013","9.5632","0.0006","6.0365","0.0004","27.2812","0.0017","90","","91.12","0.002","90","","1574.6","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris(2-chloropropan-2-yl)-1,3,5-trioxane","","- C12 H21 Cl3 O3 -","- C12 H21 Cl3 O3 -","- C48 H84 Cl12 O12 -","4","1","","Rodig, Michael J.; Snow, Arthur W.; Scholl, Paul; Rea, Simon","Synthesis and Low Temperature Spectroscopic Observation of 1,3,5-Trioxane-2,4,6-Trione: The Cyclic Trimer of Carbon Dioxide.","The Journal of organic chemistry","2016","81","13","5354","5361","10.1021/acs.joc.6b00647","","","0.71073","MoKα","","0.0467","0.0407","","","0.1106","0.1151","","","","","","1.066","","","","has coordinates,has disorder","184164","2020-10-21","18:00:00",""
"4032014","12.5581","0.0009","14.7892","0.0009","14.3839","0.0011","90","","100.361","0.004","90","","2627.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I4 N2 O -","- C24 H20 I4 N2 O -","- C96 H80 I16 N8 O4 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0971","0.0842","","","0.2457","0.2638","","","","","","1.038","","","","has coordinates,has disorder","184165","2020-10-21","18:00:00",""
"4032015","8.912","0.0003","10.0998","0.0003","38.1226","0.0012","90","","91.106","0.001","90","","3430.75","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H30.5 I2 N4.5 -","- C39.5 H30.5 I2 N4.5 -","- C158 H122 I8 N18 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0517","0.0514","","","0.1179","0.1181","","","","","","1.258","","","","has coordinates,has disorder","184166","2020-10-21","18:00:00",""
"4032016","9.1058","0.0002","14.9161","0.0004","21.2943","0.0005","90","","92.442","0.001","90","","2889.63","0.12","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N2 O -","- C28 H20 I4 N2 O -","- C112 H80 I16 N8 O4 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0395","0.0392","","","0.1143","0.1146","","","","","","1.055","","","","has coordinates","184167","2020-10-21","18:00:00",""
"4032017","8.7","0.002","15.83","0.004","9.797","0.002","90","","90.484","0.003","90","","1349.2","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H18 I4 N2 -","- C27 H18 I4 N2 -","- C54 H36 I8 N4 -","2","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","0.71073","MoKα","","0.0389","0.0313","","","0.0936","0.0982","","","","","","1.042","","","","has coordinates","184168","2020-10-21","18:00:00",""
"4032018","8.4577","0.0005","9.7547","0.0006","27.544","0.0016","90","","95.462","0.001","90","","2262.1","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I4 N2 -","- C21 H14 I4 N2 -","- C84 H56 I16 N8 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","0.71073","MoKα","","0.0413","0.0323","","","0.0876","0.1007","","","","","","1.121","","","","has coordinates","184169","2020-10-21","18:00:00",""
"4032019","8.3087","0.0002","22.656","0.0007","14.9664","0.0005","90","","97.132","0.001","90","","2795.51","0.14","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N2 -","- C28 H20 I4 N2 -","- C112 H80 I16 N8 -","4","1","","Matsumoto, Shoji; Kikuchi, Shu; Norita, Naoto; Masu, Hyuma; Akazome, Motohiro","Formation of Benzimidazoisoquinolinium and Benzimidazoisoindolinum Cyclic Systems by the Reaction of 2-(2-Alkynylphenyl)benzimidazoles with Iodine and Iodine-Iodine Interaction Including Halogen Bonding in Their Crystal Structures.","The Journal of organic chemistry","2016","81","13","5322","5329","10.1021/acs.joc.6b00607","","","1.54178","CuKα","","0.0349","0.0347","","","0.0937","0.094","","","","","","1.063","","","","has coordinates","184170","2020-10-21","18:00:00",""
"4032020","6.968","0.005","8.073","0.005","17.744","0.01","90","","90","","90","","998.1","1.1","158","2","158","2","","","","","","","Julia M. Clay, SIP student in Jed Fisher lab","3","P 21 21 21","P 2ac 2ab","19","PNU-143663 29580-jff-20B","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","0.7107","MoKα","","0.0648","0.0557","","","0.1427","0.1515","","","1.089","","","1.104","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032021","9.4198","0.0002","9.7083","0.0003","17.1134","0.0004","90","","90","","90","","1565.02","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","1.54184","CuKα","","0.0294","0.0289","","","0.0738","0.0744","","","","","","1.066","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032022","11.2","0.01","13.43","0.01","16.32","0.01","103.467","0.002","94.715","0.003","114.462","0.002","2128","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 O10 -","- C50 H60 O10 -","- C100 H120 O20 -","2","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.7","","","0.0655","0.0652","","","0.161","0.1615","","","","","","1.225","","","","has coordinates","184172","2020-10-21","18:00:00",""
"4032023","13.48","0.002","15.127","0.0001","25.768","0.0001","90","","96.565","0.003","90","","5219.9","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 O12 -","- C60 H72 O12 -","- C240 H288 O48 -","4","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.8","","","0.0591","0.058","","","0.1475","0.1484","","","","","","1.155","","","","has coordinates","184173","2020-10-21","18:00:00",""
"4032024","8.864","0.003","51.49","0.04","7.808","0.003","90","","100.81","0.03","90","","3500","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 O8 -","- C40 H48 O8 -","- C160 H192 O32 -","4","1","","Della Sala, Paolo; Gaeta, Carmine; Navarra, Wanda; Talotta, Carmen; De Rosa, Margherita; Brancatelli, Giovanna; Geremia, Silvano; Capitelli, Francesco; Neri, Placido","Improved Synthesis of Larger Resorcinarenes.","The Journal of organic chemistry","2016","81","13","5726","5731","10.1021/acs.joc.6b00803","","","0.71073","MoKα","","0.2888","0.0977","","","0.2078","0.2821","","","","","","1","","","","has coordinates","184174","2020-10-21","18:00:00",""
"4032025","15.72","0.0004","10.2218","0.0003","12.7916","0.0003","90","","90","","90","","2055.44","0.09","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","","Berry, Ellen; Gomes, Gabriel Dos Passos; MacLean, Alex; Martin, Justin R.; Wiget, Paul A.","Discovery of a Long-Range Perlin Effect in a Conformationally Constrained Oxocane.","The Journal of organic chemistry","2016","81","13","5740","5744","10.1021/acs.joc.6b00819","","","1.54178","CuKα","","0.0436","0.0436","","","0.1103","0.1103","","","","","","1.09","","","","has coordinates","184175","2020-10-21","18:00:00",""
"4032026","9.3963","0.0005","7.9827","0.0004","23.0568","0.0016","90","","93.8","0.006","90","","1725.64","0.17","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 B S -","- C21 H19 B S -","- C84 H76 B4 S4 -","4","1","","Messersmith, Reid E.; Siegler, Maxime A.; Tovar, John D.","Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.","The Journal of organic chemistry","2016","81","13","5595","5605","10.1021/acs.joc.6b00927","","","0.71073","MoKα","","0.0602","0.046","","","0.1116","0.1206","","","","","","1.073","","","","has coordinates,has disorder","184176","2020-10-21","18:00:00",""
"4032027","7.7856","0.0003","11.4781","0.0004","12.1","0.0004","115.871","0.003","100.097","0.003","94.798","0.003","942.08","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 B S -","- C25 H21 B S -","- C50 H42 B2 S2 -","2","1","","Messersmith, Reid E.; Siegler, Maxime A.; Tovar, John D.","Aromaticity Competition in Differentially Fused Borepin-Containing Polycyclic Aromatics.","The Journal of organic chemistry","2016","81","13","5595","5605","10.1021/acs.joc.6b00927","","","0.71073","MoKα","","0.0479","0.0437","","","0.1126","0.1157","","","","","","1.028","","","","has coordinates","184177","2020-10-21","18:00:00",""
"4032028","10.168","0.003","15.7","0.004","11.009","0.003","90","","94.542","0.005","90","","1751.9","0.8","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O S -","- C22 H16 O S -","- C88 H64 O4 S4 -","4","1","","Zhang, Xing-Song; Jiao, Jun-Ying; Zhang, Xiao-Hong; Hu, Bo-Lun; Zhang, Xing-Guo","Synthesis of 2-Sulfenylindenones via One-Pot Tandem Meyer-Schuster Rearrangement and Radical Cyclization of Arylpropynols with Disulfides.","The Journal of organic chemistry","2016","81","13","5710","5716","10.1021/acs.joc.6b00762","","","0.71073","MoKα","","0.0618","0.0422","","","0.1305","0.1417","","","","","","1.045","","","","has coordinates","184178","2020-10-21","18:00:00",""
"4032029","9.368","0.002","15.869","0.004","12.83","0.003","90","","93.658","0.003","90","","1903.4","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Kong, De-Long; Cheng, Liang; Yue, Tao; Wu, Hong-Ru; Feng, Wei-Chun; Wang, Dong; Liu, Li","Cobalt-Catalyzed Peroxidation of 2-Oxindoles with Hydroperoxides.","The Journal of organic chemistry","2016","81","13","5337","5344","10.1021/acs.joc.6b00622","","","0.71073","MoKα","","0.0981","0.089","","","0.2619","0.2728","","","","","","1.983","","","","has coordinates","184179","2020-10-21","18:00:00",""
"4032030","7.74","0.0015","15.74","0.003","10.99","0.002","90","","90.17","0.03","90","","1338.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.055","0.0405","","","0.0968","0.1043","","","","","","1.053","","","","has coordinates","184180","2020-10-21","18:00:00",""
"4032031","11.3822","0.0009","13.3519","0.001","16.9247","0.0013","90","","90","","90","","2572.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br N3 O4 -","- C27 H22 Br N3 O4 -","- C108 H88 Br4 N12 O16 -","4","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.1693","0.0627","","","0.142","0.1788","","","","","","0.99","","","","has coordinates","184181","2020-10-21","18:00:00",""
"4032032","8.4691","0.0003","16.8355","0.0008","19.884","0.0007","90","","90.96","0.003","90","","2834.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O2 S -","- C29 H30 N2 O2 S -","- C116 H120 N8 O8 S4 -","4","1","","Huang, Xin; Liu, Miao; Pham, Kenny; Zhang, Xiaofeng; Yi, Wen-Bin; Jasinski, Jerry P.; Zhang, Wei","Organocatalytic One-Pot Asymmetric Synthesis of Thiolated Spiro-γ-lactam Oxindoles Bearing Three Stereocenters.","The Journal of organic chemistry","2016","81","13","5362","5369","10.1021/acs.joc.6b00653","","","0.71073","MoKα","","0.1258","0.0851","","","0.2326","0.2707","","","","","","1.025","","","","has coordinates","184182","2020-10-21","18:00:00",""
"4032033","9.0167","0.0008","9.9451","0.0009","12.302","0.0011","90","","106.426","0.001","90","","1058.12","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N4 O5 -","- C23 H17 Cl N4 O5 -","- C46 H34 Cl2 N8 O10 -","2","1","","You, Yong; Wu, Zhi-Jun; Chen, Jian-Feng; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael Addition of 3-Pyrrolyloxindoles to β-Phthalimidonitroethene for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing Contiguous 3,α,β-Triamino Functionality.","The Journal of organic chemistry","2016","81","13","5759","5765","10.1021/acs.joc.6b00896","","","0.71073","MoKα","","0.0304","0.0289","","","0.0767","0.0778","","","","","","1.053","","","","has coordinates","184183","2020-10-21","18:00:00",""
"4032034","18.9912","0.0006","9.2127","0.0003","12.1513","0.0003","90","","113.891","0.001","90","","1943.83","0.1","100","2","100","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 F5 O2 S -","- C9 H5 F5 O2 S -","- C72 H40 F40 O16 S8 -","8","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0395","0.0326","","","0.0842","0.089","","","","","","1.062","","","","has coordinates","186254","2020-10-21","18:00:00",""
"4032035","14.587","0.003","6.5046","0.0013","15.2015","0.0019","90","","116.131","0.006","90","","1294.9","0.4","100","2","100","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F5 N O5 S -","- C10 H10 F5 N O5 S -","- C40 H40 F20 N4 O20 S4 -","4","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0416","0.034","","","0.0866","0.0917","","","","","","1.01","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4032036","8.4711","0.0002","8.8607","0.0002","8.9602","0.0002","99.478","0.001","110.838","0.001","95.682","0.001","610.85","0.02","100","2","100","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H11 F5 O3 S -","- C11 H11 F5 O3 S -","- C22 H22 F10 O6 S2 -","2","1","","Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A.","SF5-Enolates in Ti(IV)-Mediated Aldol Reactions.","The Journal of organic chemistry","2016","81","15","6783","6791","10.1021/acs.joc.6b00946","","x-ray","0.71073","MoKα","","0.0389","0.033","","","0.0867","0.0922","","","","","","1.031","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4032051","28.515","0.018","7.53","0.005","15.194","0.01","90","","115.987","0.01","90","","2933","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H25 Br O3 -","- C33 H25 Br O3 -","- C132 H100 Br4 O12 -","4","1","","Wang, Gang; Wang, Zhan-Yong; Niu, Shuang-Shuo; Rao, Yin; Cheng, Ying","The Reaction of 2-Aroylvinylcinnamaldehydes with Aromatic Aldehydes by Dual Catalysis with a Chiral N-Heterocyclic Carbene and a Lewis Acid: Enantioselective Construction of Tetrahydroindeno[1,2-c]furan-1-ones.","The Journal of organic chemistry","2016","","","","","10.1021/acs.joc.6b01362","","","0.71073","MoKα","","0.0949","0.0672","","","0.1786","0.1922","","","","","","1.059","","","","has coordinates","186097","2020-10-21","18:00:00",""
"4032052","11.6048","0.0002","13.5575","0.0002","15.1224","0.0002","74.397","0.001","75.404","0.001","84.186","0.001","2216.17","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 O11 Os3 P -","- C44 H49 O11 Os3 P -","- C88 H98 O22 Os6 P2 -","2","1","","Park, Boyoung Y.; Luong, Tom; Sato, Hiroki; Krische, Michael J.","Osmium(0)-Catalyzed C-C Coupling of Ethylene and α-Olefins with Diols, Ketols, or Hydroxy Esters via Transfer Hydrogenation.","The Journal of organic chemistry","2016","81","18","8585","8594","10.1021/acs.joc.6b01923","","","1.54184","CuKα","","0.0229","0.0222","","","0.0515","0.0517","","","","","","1.004","","","","has coordinates","186958","2020-10-21","18:00:00",""
"4032053","5.8411","0.0007","15.53","0.003","25.512","0.002","90","","95.069","0.009","90","","2305.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Br2 O4 S -","- C22 H28 Br2 O4 S -","- C88 H112 Br8 O16 S4 -","4","1","","Park, Boyoung Y.; Luong, Tom; Sato, Hiroki; Krische, Michael J.","Osmium(0)-Catalyzed C-C Coupling of Ethylene and α-Olefins with Diols, Ketols, or Hydroxy Esters via Transfer Hydrogenation.","The Journal of organic chemistry","2016","81","18","8585","8594","10.1021/acs.joc.6b01923","","","1.54184","CuKα","","0.1218","0.0666","","","0.1391","0.1651","","","","","","1.009","","","","has coordinates","186958","2020-10-21","18:00:00",""
"4032054","9.022","0.004","11.781","0.006","15.387","0.008","98.559","0.013","101.929","0.013","90.335","0.012","1581.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Br2 N2 O2 -","- C36 H32 Br2 N2 O2 -","- C72 H64 Br4 N4 O4 -","2","1","","Hu, Weiming; Yu, Jin-Tao; Ye, Dengman; Zhou, Zhou; Sun, Song; Cheng, Jiang","Iron-Mediated Annulation between Methylene Ketones and Diethanolamines: A Sustainable and Scalable Procedure toward N-(2-Hydroxyethyl) Pyrroles.","The Journal of organic chemistry","2016","81","19","9389","9395","10.1021/acs.joc.6b01195","","","0.71073","MoKα","","0.1474","0.0921","","","0.2435","0.2918","","","","","","0.948","","","","has coordinates,has disorder","187937","2020-10-21","18:00:00",""
"4032056","15.8194","0.0004","7.2095","0.0002","38.1891","0.0009","90","","90","","90","","4355.47","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","XZ-C1","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Xuan, Zi; Jung, Da Jung; Jeon, Hyun Ji; Lee, Sang-Gi","Pd-Catalyzed Aminocarbonylation of the Blaise Reaction Intermediate: One-Pot Synthesis of (Z)-3-Methyleneisoindolin-1-ones from Nitriles.","The Journal of organic chemistry","2016","81","20","10094","","10.1021/acs.joc.6b02095","","","0.71073","","","0.1756","0.0569","","","0.1381","0.1656","","","","","","0.916","","","","has coordinates","187936","2020-10-21","18:00:00",""
"4032057","19.0544","0.0013","10.7505","0.0008","19.758","0.0014","90","","90","","90","","4047.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C192 H192 N16 O16 S8 -","8","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0863","0.0553","","","0.1335","0.1637","","","","","","1.05","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032058","16.913","0.007","8.048","0.003","16.567","0.007","90","","98.358","0.007","90","","2231.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C100 H100 Br4 N8 O8 S4 -","4","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0754","0.0493","","","0.1278","0.1597","","","","","","0.89","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032059","7.5026","0.0005","20.3104","0.0014","12.4356","0.0008","90","","94.704","0.002","90","","1888.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Zheng, Yang; Zhang, Xiaolu; Yao, Ruwei; Wen, Yuecheng; Huang, Jingjing; Xu, Xinfang","1,3-Dipolar Cycloaddition of Alkyne-Tethered N-Tosylhydrazones: Synthesis of Fused Polycyclic Pyrazoles.","The Journal of organic chemistry","2016","81","22","11072","","10.1021/acs.joc.6b02076","","","0.71073","MoKα","","0.0617","0.0447","","","0.0996","0.1089","","","","","","1.058","","","","has coordinates","188909","2020-10-21","18:00:00",""
"4032073","7.0004","0.001","21.017","0.003","10.9249","0.0017","90","0.0015","100.084","0.0016","90","0.0015","1582.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,2-bis(2-phenyl-1H-indol-3-yl)ethyne_1a","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Ishikawa, Rino; Iwasawa, Ryosuke; Takiyama, Yuichiro; Yamauchi, Tomokazu; Iwanaga, Tetsuo; Takezaki, Makoto; Watanabe, Motonori; Teramoto, Naozumi; Shimasaki, Toshiaki; Shibata, Mitsuhiro","Synthesis of 1,2-Bis(2-aryl-1H-indol-3-yl)ethynes via 5-exo-Digonal Double Cyclization Reactions of 1,4-Bis(2-isocyanophenyl)buta-1,3-diyne with Aryl Grignard Reagents.","The Journal of organic chemistry","2017","82","1","652","663","10.1021/acs.joc.6b02668","","","0.7107","MoKα","","0.0489","0.0392","","","0.0952","0.1034","","","","","","1.052","","","","has coordinates","193531","2020-10-21","18:00:00",""
"4032075","14.9261","0.0002","12.3367","0.0001","18.0148","0.0002","90","","107.369","0.001","90","","3165.97","0.06","108.1","","108.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N O5 -","- C40 H37 N O5 -","- C160 H148 N4 O20 -","4","2","","Wang, Chang; Jia, Hao; Zhang, Cheng; Gao, Zhenzhen; Zhou, Leijie; Yuan, Chunhao; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Enantioselective [2+4] Cycloaddition to Synthesize Pyrrolidin-2-one Fused Dihydropyrans Using α-Substituted Allenoates as C2 Synthons.","The Journal of organic chemistry","2017","82","1","633","641","10.1021/acs.joc.6b02659","","","1.5418","CuKα","","0.0394","0.0378","","","0.0982","0.0999","","","","","","1.026","","","","has coordinates","193548","2020-10-21","18:00:00",""
"4032076","10.2286","0.0004","7.4574","0.0003","18.7761","0.0007","90","","102.144","0.003","90","","1400.17","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Okugawa, Naoki; Moriyama, Katsuhiko; Togo, Hideo","Introduction of Quinolines and Isoquinolines onto Nonactivated α-C-H Bond of Tertiary Amides through a Radical Pathway.","The Journal of organic chemistry","2017","82","1","170","178","10.1021/acs.joc.6b02303","","","1.54178","CuKα","","0.0725","0.0585","","","0.1522","0.161","","","","","","1.078","","","","has coordinates,has disorder","193533","2020-10-21","18:00:00",""
"4032077","4.5847","0.0002","11.7037","0.0005","29.754","0.003","90","","90","","90","","1596.54","0.19","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0789","0.0653","","0.1509","0.1431","0.1509","","","","","","1.0037","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032078","4.6659","0.0003","11.9898","0.0009","13.673","0.001","90","","90.47","0.004","90","","764.89","0.09","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0414","0.0356","","0.0832","0.0804","0.0832","","","","","","1.0336","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032079","4.7176","0.0002","11.731","0.0004","13.7171","0.0006","90","","90.035","0.004","90","","759.13","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0802","0.0801","","0.2203","0.2202","0.2203","","","","","","1.0058","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032080","8.4129","0.0017","18.533","0.004","9.925","0.002","90","","112.62","0.03","90","","1428.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Harras, Marina; Milius, Wolfgang; Aitken, R. Alan; Schobert, Rainer","Syntheses of Combretastatins D-1, D-2, and D-4 via Ring Contraction by Flash Vacuum Pyrolysis.","The Journal of organic chemistry","2017","82","1","579","587","10.1021/acs.joc.6b02586","","","0.71073","MoKα","","0.2144","0.054","","","0.099","0.1358","","","","","","0.608","","","","has coordinates","193549","2020-10-21","18:00:00",""
"4032081","15.671","0.0007","9.7549","0.0003","28.7604","0.0016","90","","104.987","0.006","90","","4247","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C192 H192 N16 O40 -","8","4","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.1219","0.1083","","","0.296","0.3083","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032082","4.6541","0.0006","28.474","0.004","14.0756","0.0017","90","","91.526","0.004","90","","1864.6","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H10 F9 N -","- C22 H10 F9 N -","- C88 H40 F36 N4 -","4","1","","Koseki, Yuta; Kitazawa, Kentaroh; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi","Ruthenium-Catalyzed Ortho C-H Arylation of Aromatic Nitriles with Arylboronates and Observation of Partial Para Arylation.","The Journal of organic chemistry","2016","","","","","10.1021/acs.joc.6b02623","","","0.71075","MoKα","","0.119","0.0613","","","0.1136","0.1329","","","","","","0.981","","","","has coordinates","189636","2020-10-21","18:00:00",""
"4032083","8.6743","0.0016","10.0778","0.0017","22.329","0.003","90","","90","","90","","1952","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0582","","","0.0813","0.0992","","","","","","0.982","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032084","20.988","0.002","10.9938","0.0012","17.5014","0.0019","90","","111.663","0.001","90","","3753","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F N O2 S -","- C22 H22 F N O2 S -","- C176 H176 F8 N8 O16 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0555","0.0434","","","0.1173","0.1327","","","","","","1.075","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032085","26.8944","0.001","6.4389","0.0002","12.7221","0.0005","90","","100.463","0.002","90","","2166.46","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0476","0.0361","","","0.0984","0.1057","","","","","","1.035","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032086","16.9926","0.0004","6.4698","0.0001","18.8075","0.0005","90","","109.766","0.001","90","","1945.85","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0636","0.0471","","","0.1201","0.1313","","","","","","1.055","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032087","10.034","0.003","9.082","0.003","20.17","0.007","90","","96.018","0.007","90","","1827.9","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0681","0.0491","","","0.1299","0.1386","","","","","","1.041","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032088","9.9926","0.0005","14.1265","0.0006","31.0675","0.0015","90","","90","","90","","4385.5","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 N O4 S -","- C18 H23 N O4 S -","- C144 H184 N8 O32 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.2378","0.0932","","","0.1816","0.2224","","","","","","0.895","","","","has coordinates,has disorder","193538","2020-10-21","18:00:00",""
"4032089","8.956","0.0007","14.3354","0.0012","17.8668","0.0014","90","","90","","90","","2293.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1857","0.0671","","","0.141","0.1951","","","","","","0.862","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032090","35.628","0.004","7.7768","0.0009","15.986","0.003","90","","105.13","0.004","90","","4275.7","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 N O4 S -","- C22 H31 N O4 S -","- C176 H248 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0758","0.0658","","","0.1895","0.196","","","","","","1.173","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032091","7.9999","0.0006","10.3733","0.0008","11.7494","0.0009","86.701","0.002","72.034","0.002","86.782","0.002","925.19","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0553","0.0455","","","0.1328","0.1542","","","","","","1.131","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032092","7.6259","0.0015","10.43","0.002","17.696","0.004","90","","90","","90","","1407.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 F2 N2 O2 -","- C16 H12 F2 N2 O2 -","- C64 H48 F8 N8 O8 -","4","1","","Cai, Shangjun; Lin, Songyun; Yi, Xiangli; Xi, Chanjuan","Substrate-Controlled Transformation of Azobenzenes to Indazoles and Indoles via Rh(III)-Catalysis.","The Journal of organic chemistry","2017","82","1","512","520","10.1021/acs.joc.6b02548","","","0.71073","MoKα","","0.0374","0.0369","","","0.0883","0.0887","","","","","","1.053","","","","has coordinates","193544","2020-10-21","18:00:00",""
"4032093","5.9753","0.0016","26.495","0.008","29.833","0.009","90","","90","","90","","4723","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H41 Br3 N10 O9 -","- C48 H41 Br3 N10 O9 -","- C192 H164 Br12 N40 O36 -","4","1","","Ma, Zhiqiang; You, Lin; Chen, Chuo","Stereocontrolled Formation of a [4.4]Heterospiro Ring System with Unexpected Inversion of Configuration at the Spirocenter.","The Journal of organic chemistry","2017","82","1","731","736","10.1021/acs.joc.6b02266","","","0.71075","MoKα","","0.0992","0.0855","","","0.1433","0.1492","","","","","","1.201","","","","has coordinates","193540","2020-10-21","18:00:00",""
"4032094","8.3581","0.0006","11.1996","0.0008","15.9048","0.001","90","","90","","90","","1488.81","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Kaster, Sven H.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of γ-Lactones through Koga Amine-Controlled Addition of Enediolates to α,β-Unsaturated Sulfoxonium Salts.","The Journal of organic chemistry","2017","82","1","606","615","10.1021/acs.joc.6b02622","","","1.54178","CuKα","","0.0298","0.0281","","","0.0681","0.069","","","","","","1.094","","","","has coordinates","193534","2020-10-21","18:00:00",""
"4032095","22.883","0.007","12.0629","0.0012","15.901","0.005","90","","132.43","0.05","90","","3240","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Cl6 N4 O2 Se2 -","- C30 H22 Cl6 N4 O2 Se2 -","- C120 H88 Cl24 N16 O8 Se8 -","4","0.5","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.1291","0.0707","","","0.1422","0.1754","","","","","","1.05","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032096","8.9772","0.0002","26.5501","0.0005","10.9101","0.0003","90","","96.2","0.002","90","","2585.16","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O2 Se2 -","- C28 H26 N4 O2 Se2 -","- C112 H104 N16 O8 Se8 -","4","1","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.0981","0.0543","","","0.0813","0.0921","","","","","","1.069","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032097","7.7553","0.0006","9.9664","0.0007","12.7439","0.001","96.96","0.009","91.765","0.01","107.208","0.009","931.67","0.13","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C46 H44 N8 -","2","1","","Gers-Panther, Charlotte F; Fischer, Henry; Nordmann, Jan; Seiler, Theresa; Behnke, Thomas; Würth, Christian; Frank, Walter; Resch-Genger, Ute; Müller, Thomas J J","Four- and Five-Component Syntheses and Photophysical Properties of Emission Solvatochromic 3-Aminovinylquinoxalines.","The Journal of organic chemistry","2017","82","1","567","578","10.1021/acs.joc.6b02581","","","0.71073","MoKα","","0.0606","0.0491","","","0.132","0.139","","","","","","0.956","","","","has coordinates","193543","2020-10-21","18:00:00",""
"4032098","9.2902","0.0009","18.1269","0.0013","9.1449","0.0006","90","","90","","90","","1540","0.2","152.01","0.1","152.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Zhou, Qi; Zhang, Zhikun; Zhou, Yujing; Li, Shichao; Zhang, Yan; Wang, Jianbo","Palladium-Catalyzed Synthesis of Indoles and Isoquinolines with in Situ Generated Phosphinimine.","The Journal of organic chemistry","2017","82","1","48","56","10.1021/acs.joc.6b01864","","","0.71073","MoKα","","0.0948","0.0678","","","0.1467","0.1659","","","","","","1.06","","","","has coordinates","193537","2020-10-21","18:00:00",""
"4032099","25.807","0.003","16.852","0.003","13.031","0.0014","90","","112.568","0.003","90","","5233.2","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C55.5 H81 N2 O8.5 -","- C55.5 H81 N2 O8.5 -","- C222 H324 N8 O34 -","4","1","","Shi, Yong; Jiang, Xiao-Ling; Tian, Wei-Sheng","Synthesis of 12,12'-azo-13,13'-diepi-Ritterazine N.","The Journal of organic chemistry","2017","82","1","269","275","10.1021/acs.joc.6b02391","","","0.71073","MoKα","","0.0817","0.0666","","","0.1738","0.1878","","","","","","1.015","","","","has coordinates","193530","2020-10-21","18:00:00",""
"4032100","11.751","0.007","16.267","0.009","12.438","0.007","90","","99.143","0.008","90","","2347","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","P(NMe2)3-Mediated Aziridination of Imines with α-Ketoesters for Synthesis of Aziridine-2-carboxylates.","The Journal of organic chemistry","2017","82","1","811","818","10.1021/acs.joc.6b02669","","","0.71073","MoKα","","0.1215","0.0517","","","0.1159","0.1451","","","","","","0.999","","","","has coordinates","193532","2020-10-21","18:00:00",""
"4032101","8.702","0.003","19.376","0.006","18.853","0.006","90","","97.275","0.004","90","","3153.2","1.8","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N2 O2 P Pd -","- C37 H35 N2 O2 P Pd -","- C148 H140 N8 O8 P4 Pd4 -","4","1","","Vignesh, Arumugam; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Conversion of Arylboronic Acids to Tetrazoles Catalyzed by ONO Pincer-Type Palladium Complex.","The Journal of organic chemistry","2017","82","2","887","892","10.1021/acs.joc.6b02277","","","0.71073","MoKα","","0.0983","0.0584","","","0.0982","0.1133","","","","","","1.065","","","","has coordinates,has disorder","193581","2020-10-21","18:00:00",""
"4032102","7.3744","0.0009","9.888","0.002","12.55","0.003","92.519","0.017","100.158","0.015","107.744","0.016","853.3","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","1","","Shinde, Anand H.; Arepally, Sagar; Baravkar, Mayur D.; Sharada, Duddu S.","Nickel-Catalyzed Aerobic Oxidative Isocyanide Insertion: Access to Benzimidazoquinazoline Derivatives via a Sequential Double Annulation Cascade (SDAC) Strategy.","The Journal of organic chemistry","2017","82","1","331","342","10.1021/acs.joc.6b02423","","","0.71073","MoKα","","0.112","0.0678","","","0.1565","0.189","","","","","","1.0914","","","","has coordinates","193541","2020-10-21","18:00:00",""
"4032103","10.2941","0.0003","18.8657","0.0005","10.2215","0.0003","90","","90","","90","","1985.07","0.1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","S1480","","","- C25 H16 N O3 -","- C25 H16 N O3 -","- C100 H64 N4 O12 -","4","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.0723","0.0596","","","0.165","0.1749","","","","","","1.033","","","","has coordinates,has disorder","196148","2020-10-21","18:00:00",""
"4032104","6.56614","0.00012","12.6523","0.0002","16.1928","0.0003","90","","90","","90","","1345.25","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.028","0.0269","","","0.0667","0.0678","","","","","","1.097","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032105","6.53502","0.00016","12.7185","0.0003","16.1657","0.0004","90","","90","","90","","1343.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N6 O6 -","- C11 H14 N6 O6 -","- C44 H56 N24 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.0735","0.0573","","","0.1303","0.1559","","","","","","1.135","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032106","20.774","0.005","29.8","0.008","30.233","0.008","90","","108.12","0.004","90","","17788","8","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 N4 -","- C60 H54 N4 -","- C840 H756 N56 -","14","3.5","","Saegusa, Yuta; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Acid-Base Properties of a Freebase Form of a Quadruply Ring-Fused Porphyrin-Stepwise Protonation Induced by Rigid Ring-Fused Structure.","The Journal of organic chemistry","2017","82","1","322","330","10.1021/acs.joc.6b02419","","","0.71073","MoKα","","0.1244","0.0911","","","0.2185","0.2331","","","","","","1.081","","","","has coordinates","275206","2022-05-07","03:38:22",""
"4032107","6.4258","0.001","9.9859","0.0007","10.2112","0.0012","90","","107.515","0.015","90","","624.85","0.14","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","x-ray","0.71073","MoKα","","0.035","0.0328","","","0.0873","0.0902","","","","","","0.924","","","","has coordinates","193545","2020-10-21","18:00:00",""
"4032108","33.509","0.004","13.9343","0.0014","20.097","0.003","90","","126.247","0.006","90","","7567.8","1.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H62 Cl4 F10 N4 S4 -","- C84 H62 Cl4 F10 N4 S4 -","- C336 H248 Cl16 F40 N16 S16 -","4","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.164","0.0856","","","0.2279","0.2921","","","","","","1.054","","","","has coordinates","193539","2020-10-21","18:00:00",""
"4032109","13.0609","0.0014","14.0494","0.0016","22.454","0.003","77.832","0.003","75.363","0.003","85.051","0.003","3894.6","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H40 Cl2 -","- C51 H40 Cl2 -","- C204 H160 Cl8 -","4","2","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0907","0.0672","","0.1223","0.0639","0.0603","","","","","","1.09","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032110","16.195","0.002","19.407","0.003","20.992","0.003","69.639","0.004","68.618","0.004","82.046","0.004","5759.2","1.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50.67 H39.33 Cl1.33 -","- C50.6667 H39.3333 Cl1.33333 -","- C304 H236 Cl8 -","6","3","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1088","0.091","","0.1396","0.0871","0.0836","","","","","","0.9597","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032111","10.72","0.0005","45.197","0.002","12.0719","0.0005","90","","114.696","0.0014","90","","5314","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Cl4 -","- C64 H66 Cl4 -","- C256 H264 Cl16 -","4","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0892","0.0542","","0.0896","0.0477","0.0408","","","","","","1.1049","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032112","16.8971","0.001","6.0972","0.0004","16.0454","0.001","90","","106.609","0.0017","90","","1584.1","0.17","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 -","- C46 H30 -","- C92 H60 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0838","0.0549","","0.0991","0.0547","0.0508","","","","","","1.0846","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032113","13.1786","0.0005","13.3182","0.0005","14.4208","0.0006","92.0053","0.0016","110.536","0.0015","91.6484","0.0016","2366.5","0.16","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C59 H55 Cl3 -","- C59 H55 Cl3 -","- C118 H110 Cl6 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0621","0.041","","0.0801","0.0431","0.0408","","","","","","1.0599","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032114","18.391","0.003","5.5876","0.0009","26.892","0.005","90","","90.19","0.006","90","","2763.4","0.8","193","","193","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C70 H78 -","- C70 H78 -","- C140 H156 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1729","0.0564","","0.1638","0.0532","0.0475","","","","","","1.047","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032115","12.3283","0.0009","17.541","0.0013","18.7671","0.0013","70.412","0.002","89.193","0.002","70.98","0.002","3594.1","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H106 Cl4 -","- C84 H106 Cl4 -","- C168 H212 Cl8 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.2517","0.0978","","0.314","0.085","0.0644","","","","","","1.0472","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032116","10.5493","0.0007","12.2119","0.0008","16.3716","0.0012","76.044","0.004","78.422","0.004","64.554","0.003","1836.9","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H104 Cl6 -","- C84 H104 Cl6 -","- C84 H104 Cl6 -","1","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0775","0.0507","","0.0919","0.046","0.0399","","","","","","1.0871","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032117","14.7492","0.0005","30.0592","0.001","47.2671","0.0014","90","","94.95","0.003","90","","20877.7","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.05 Cl0.42 F21.89 O0.21 -","- C49.0526 Cl0.421053 F21.8947 O0.210526 -","- C932 Cl8 F416 O4 -","19","4.75","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.409","0.3367","","0.5549","0.3513","0.3384","","","","","","2.0267","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032118","18.7663","0.0013","16.4529","0.0006","9.1","0.0006","90","","123.702","0.01","90","","2337.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 N4 O6 -","- C58 H52 N4 O6 -","- C116 H104 N8 O12 -","2","0.5","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0633","0.0505","","","0.1256","0.1377","","","","","","1.03","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032119","11.15402","0.00015","17.9078","0.0003","12.87201","0.0002","90","","95.1831","0.0013","90","","2560.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N2 O -","- C34 H32 N2 O -","- C136 H128 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","x-ray","1.54184","CuKα","","0.0447","0.0398","","","0.0989","0.1028","","","","","","1.025","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032120","8.11","0.0003","21.2864","0.001","17.7101","0.0003","90","","113.8","0.05","90","","2797.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 N2 O -","- C38 H33 N2 O -","- C152 H132 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0505","0.0426","","","0.1004","0.1056","","","","","","1.032","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032121","10.5975","0.0003","13.6912","0.0003","20.7918","0.0005","90","","96.98","0.003","90","","2994.38","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 N2 O -","- C40 H34 N2 O -","- C160 H136 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.05","0.0401","","","0.0935","0.0994","","","","","","1.014","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032122","10.8401","0.0012","7.0137","0.0008","11.9424","0.0015","90","","90","","90","","907.97","0.18","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br I N -","- C8 H5 Br I N -","- C32 H20 Br4 I4 N4 -","4","0.5","","Das, Riki; Kapur, Manmohan","Palladium-Catalyzed, ortho-Selective C-H Halogenation of Benzyl Nitriles, Aryl Weinreb Amides, and Anilides.","The Journal of organic chemistry","2017","82","2","1114","1126","10.1021/acs.joc.6b02731","","","0.71073","MoKα","","0.0393","0.0315","","","0.1127","0.1196","","","","","","0.976","","","","has coordinates","193580","2020-10-21","18:00:00",""
"4032123","13.3403","0.0016","5.1091","0.0006","18.453","0.002","90","","109.944","0.004","90","","1182.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F N3 S2 -","- C12 H8 F N3 S2 -","- C48 H32 F4 N12 S8 -","4","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0888","0.0511","","","0.1099","0.1242","","","","","","1.052","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032124","14.975","0.006","18.45","0.008","12.193","0.005","90","","121.277","0.005","90","","2879","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C136 H112 F8 N24 -","8","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.1113","0.0614","","","0.1549","0.1717","","","","","","0.86","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032125","6.3021","0.0006","15.8764","0.0019","9.4266","0.0011","90","","103.133","0.012","90","","918.51","0.18","294.73","0.1","294.73","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","1.54184","CuKα","","0.0622","0.0497","","","0.1207","0.1441","","","","","","1.103","","","","has coordinates","193579","2020-10-21","18:00:00",""
"4032126","4.8642","0.0008","21.195","0.003","19.918","0.004","90","","94.449","0.008","90","","2047.3","0.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H17 Cl3 N2 O -","- C24 H17 Cl3 N2 O -","- C96 H68 Cl12 N8 O4 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.1406","0.0666","","","0.123","0.1463","","","","","","1.073","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032127","7.8494","0.0002","11.18","0.0003","12.5458","0.0003","106.824","0.001","98.571","0.001","109.145","0.001","958.65","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0471","0.0379","","","0.0987","0.1047","","","","","","1.045","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032128","4.9314","0.0003","9.9036","0.0007","13.2788","0.001","97.898","0.006","91.398","0.006","102.64","0.006","625.8","0.08","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C24 H40 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","1.54178","CuKα","","0.0508","0.0459","","","0.1284","0.1364","","","","","","1.034","","","","has coordinates","193577","2020-10-21","18:00:00",""
"4032129","18.8598","0.0012","6.0858","0.0005","9.8418","0.0006","90","","95.853","0.006","90","","1123.72","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0668","0.0473","","","0.1166","0.1318","","","","","","1.077","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032130","9.2268","0.0006","10.1429","0.0005","19.5322","0.0014","90","","100.626","0.006","90","","1796.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0627","0.0428","","","0.0899","0.1025","","","","","","1.052","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032131","8.9705","0.0004","9.4409","0.0007","10.5838","0.0007","96.267","0.006","111.946","0.005","99.63","0.005","805.1","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C38 H36 O8 S2 -","2","1","","Wu, Wanqing; Yi, Songjian; Yu, Yue; Huang, Wei; Jiang, Huanfeng","Synthesis of Sulfonylated Lactones via Ag-Catalyzed Cascade Sulfonylation/Cyclization of 1,6-Enynes with Sodium Sulfinates.","The Journal of organic chemistry","2017","82","2","1224","1230","10.1021/acs.joc.6b02416","","","1.54178","CuKα","","0.0479","0.0408","","","0.0994","0.105","","","","","","1.05","","","","has coordinates","193582","2020-10-21","18:00:00",""
"4032132","10.2235","0.0003","7.176","0.0002","21.8858","0.0007","90","","102.953","0.001","90","","1564.77","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 N O -","- C18 H29 N O -","- C72 H116 N4 O4 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0514","0.0449","","","0.1055","0.1093","","","","","","1.054","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032133","19.3415","0.0003","7.1702","0.0001","11.3568","0.0002","90","","101.412","0.001","90","","1543.85","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C72 H120 O8 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0544","0.0413","","","0.1087","0.1271","","","","","","1.106","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032134","7.277","0.0001","10.8148","0.0001","19.2366","0.0003","90","","90","","90","","1513.91","0.03","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0347","0.0343","","","0.0931","0.0934","","","","","","1.047","","","","has coordinates","193596","2020-10-21","18:00:00",""
"4032135","16.1787","0.0015","7.8957","0.0007","11.6365","0.001","90","","105.489","0.005","90","","1432.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N O9 -","- C12 H14 N O9 -","- C48 H56 N4 O36 -","4","1","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.71073","MoKα","","0.0395","0.0324","","","0.0819","0.0865","","","","","","1.028","","","","has coordinates","193588","2020-10-21","18:00:00",""
"4032136","10.928","0.002","6.432","0.0013","19.345","0.004","90","","95.38","0.03","90","","1353.7","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","0.71073","MoKα","","0.1663","0.0742","","","0.0789","0.0978","","","","","","1.001","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032137","8.419","0.0001","17.2192","0.0001","18.2072","0.0001","90","","90","","90","","2639.47","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0317","0.0307","","","0.0852","0.0862","","","","","","1.039","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032138","17.976","0.004","8.7449","0.0017","18.806","0.004","90","","104.96","0.03","90","","2856.1","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C136 H160 O24 -","8","1","","Wu, Hao; Hsung, Richard P.; Tang, Yu","Total Syntheses of (±)-Rhodonoids A and B and C12-epi-Rhodonoid B.","The Journal of organic chemistry","2017","82","3","1545","1551","10.1021/acs.joc.6b02739","","","0.71073","MoKα","","0.0657","0.0498","","","0.1535","0.1746","","","","","","1.027","","","","has coordinates","193595","2020-10-21","18:00:00",""
"4032139","8.0238","0.0011","20.185","0.003","24.621","0.003","96.566","0.008","92.291","0.007","90.483","0.007","3958","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O5 S -","- C19 H20 N2 O5 S -","- C152 H160 N16 O40 S8 -","8","4","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1946","0.1468","","","0.3316","0.3527","","","","","","1.262","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032140","6.1952","0.0005","10.7715","0.0008","27.987","0.003","90","","90","","90","","1867.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1895","0.1235","","","0.2528","0.3338","","","","","","1.108","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032141","7.476","0.002","11.875","0.003","18.314","0.007","80.19","0.03","86.76","0.03","75.499","0.018","1550.9","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H27.9 Br Cl0.4 N5 O5 -","- C32.7 H24 Br Cl0.4 N5 O5 -","- C65.4 H48 Br2 Cl0.8 N10 O10 -","2","1","","Feng, Junjun; Li, Xin; Cheng, Jin-Pei","Enantioselective Organocatalyzed Vinylogous Michael Reactions of 3-Alkylidene Oxindoles with Enals.","The Journal of organic chemistry","2017","82","3","1412","1419","10.1021/acs.joc.6b02582","","","0.71073","MoKα","","0.0825","0.0615","","","0.1652","0.179","","","","","","1.067","","","","has coordinates,has disorder","193586","2020-10-21","18:00:00",""
"4032142","9.154","0.0007","9.2199","0.0007","10.1419","0.0007","64.85","0.007","84.832","0.006","67.071","0.007","710.67","0.11","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0602","0.0531","","","0.1487","0.1593","","","","","","1.043","","","","has coordinates","193598","2020-10-21","18:00:00",""
"4032143","12.88956","0.00005","18.7538","0.00007","15.37317","0.00005","90","","95.7738","0.0003","90","","3697.28","0.02","169.91","0.1","169.91","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O6 Si -","- C37 H52 N2 O6 Si -","- C148 H208 N8 O24 Si4 -","4","2","","Suh, Young-Ger; Lim, Changjin; Sim, Jaehoon; Lee, Jae Kyun; Surh, Young-Joon; Paek, Seung-Mann","Construction of the Azacyclic Core of Tabernaemontanine-Related Alkaloids via Tandem Reformatsky-Aza-Claisen Rearrangement.","The Journal of organic chemistry","2017","82","3","1464","1470","10.1021/acs.joc.6b02648","","x-ray","1.54184","CuKα","","0.0479","0.0472","","","0.1245","0.1254","","","","","","1.069","","","","has coordinates,has disorder","193592","2020-10-21","18:00:00",""
"4032144","10.0753","0.0011","10.3677","0.0008","11.4126","0.0013","76.523","0.008","80.432","0.009","64.208","0.009","1041","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C44 H50 N2 O12 -","2","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Yang, Chao; Xia, Wujiong","Photoinduced Intermolecular [4+2] Cycloaddition Reaction for Construction of Benzobicyclo[2.2.2]octane Skeletons.","The Journal of organic chemistry","2017","82","3","1389","1402","10.1021/acs.joc.6b02547","","x-ray","0.71073","MoKα","","0.0904","0.0597","","","0.1468","0.1741","","","","","","1.022","","","","has coordinates,has disorder","193597","2020-10-21","18:00:00",""
"4032145","6.2021","0.0004","9.4154","0.0006","13.871","0.0009","73.687","0.003","84.003","0.003","83.209","0.003","769.78","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C30 H28 F6 N6 O6 -","2","1","","Duret, Guillaume; Quinlan, Robert; Yin, Boyang; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Intramolecular Inverse Electron-Demand [4 + 2] Cycloadditions of Ynamides with Pyrimidines: Scope and Density Functional Theory Insights.","The Journal of organic chemistry","2017","82","3","1726","1742","10.1021/acs.joc.6b02986","","","1.54178","CuKα","","0.033","0.0322","","0.0356","0.0334","0.0331","","","","","","1.1198","","","","has coordinates","193602","2020-10-21","18:00:00",""
"4032146","19.8806","0.0004","7.9531","0.0001","24.0117","0.0005","90","","101.629","0.0007","90","","3718.61","0.12","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 -","- C51 H43 -","- C204 H172 -","4","1","","Miyoshi, Hirokazu; Miki, Masahito; Hirano, Shintaro; Shimizu, Akihiro; Kishi, Ryohei; Fukuda, Kotaro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Hisaki, Ichiro; Nakano, Masayoshi; Tobe, Yoshito","Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of π Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids.","The Journal of organic chemistry","2017","82","3","1380","1388","10.1021/acs.joc.6b02500","","","0.8","synchrotron","","0.0568","0.0488","","","0.1253","0.1329","","","","","","1.065","","","","has coordinates,has disorder","193599","2020-10-21","18:00:00",""
"4032147","6.1336","0.0017","7.936","0.002","7.765","0.002","90","","94.959","0.004","90","","376.56","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H8 N2 O8 S2 -","- H8 N2 O8 S2 -","- H16 N4 O16 S4 -","2","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.0281","0.0256","","","0.0709","0.0729","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032148","6.8561","0.0017","7.0999","0.0014","7.969","0.002","70.08","0.006","88.026","0.007","79.211","0.008","358.08","0.15","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","1","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","193594","2020-10-21","18:00:00",""
"4032149","8.226","0.002","14.044","0.004","7.005","0.002","90","","94.085","0.004","90","","807.2","0.4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O4 S -","- C6 H9 N O4 S -","- C24 H36 N4 O16 S4 -","4","1","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.045","0.0386","","","0.0895","0.0933","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032150","19.1715","0.0009","8.6293","0.0009","9.3029","0.0017","90","","102.648","0.005","90","","1501.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C68 H68 N4 O8 S4 -","4","1","","Wen, Li-Rong; Dou, Qian; Wang, Yuan-Chao; Zhang, Jin-Wei; Guo, Wei-Si; Li, Ming","Synthesis of 1-Thio-Substituted Isoquinoline Derivatives by Tandem Cyclization of Isothiocyanates.","The Journal of organic chemistry","2017","82","3","1428","1436","10.1021/acs.joc.6b02605","","","0.71073","MoKα","","0.0451","0.0432","","","0.1027","0.104","","","","","","1.158","","","","has coordinates","193603","2020-10-21","18:00:00",""
"4032151","6.12","0.003","13.432","0.006","23.716","0.01","90","","90","","90","","1949.5","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","1","","Wang, Yuanfeng; Pan, Jian; Dong, Jingjiao; Yu, Chenxia; Li, Tuanjie; Wang, Xiang-Shan; Shen, Shide; Yao, Changsheng","N-Heterocyclic Carbene-Catalyzed [4 + 2] Cyclization of Saturated Carboxylic Acid with o-Quinone Methides through in Situ Activation: Enantioselective Synthesis of Dihydrocoumarins.","The Journal of organic chemistry","2017","82","3","1790","1795","10.1021/acs.joc.6b02444","","","0.71073","MoKα","","0.0951","0.0386","","","0.0659","0.078","","","","","","1.028","","","","has coordinates","193587","2020-10-21","18:00:00",""
"4032153","7.8797","0.0011","10.6151","0.0016","19.258","0.003","90","","96.963","0.003","90","","1598.9","0.4","130","2","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Meng, Jiang; Wen, Min; Zhang, Shiwei; Pan, Peiwen; Yu, Xingxin; Deng, Wei-Ping","Unexpected O-H Insertion of Rhodium-Azavinylcarbenes with N-Acylhydrazones: Divergent Synthesis of 3,6-Disubstituted- and 3,5,6-Trisubstituted-1,2,4-Triazines.","The Journal of organic chemistry","2017","82","3","1676","1687","10.1021/acs.joc.6b02846","","","0.71073","MoKα","","0.0784","0.0628","","","0.17","0.1797","","","","","","0.861","","","","has coordinates","193600","2020-10-21","18:00:00",""
"4032154","10.3517","0.0005","10.778","0.0005","21.814","0.0011","90","","94.68","0.004","90","","2425.7","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Dumoulin, Audrey; Bernadat, Guillaume; Masson, Géraldine","Enantioselective Three-Component Amination of Enecarbamates Enables the Synthesis of Structurally Complex Small Molecules.","The Journal of organic chemistry","2017","82","3","1775","1789","10.1021/acs.joc.6b03093","","x-ray","0.71073","MoKα","","0.0633","0.0432","","","0.1062","0.1123","","","","","","1.108","","","","has coordinates","193593","2020-10-21","18:00:00",""
"4032155","13.9058","0.0009","15.9471","0.0007","14.5652","0.0012","90","","115.575","0.009","90","","2913.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","2","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0714","0.0469","","","0.1208","0.1371","","","","","","1.016","","","","has coordinates","193591","2020-10-21","18:00:00",""
"4032156","6.9266","0.0002","14.6572","0.0005","11.4985","0.0003","90","0.002","103.475","0.002","90","0.002","1135.24","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindolehydroxylactam","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0551","0.0466","","","0.1232","0.145","","","","","","1.172","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032157","9.2359","0.0002","14.0859","0.0004","15.645","0.0004","90","","101.897","0.002","90","","1991.63","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindole","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0831","0.0502","","","0.1308","0.1611","","","","","","1.099","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032158","9.5902","0.0002","9.9373","0.0003","10.7178","0.0003","90","","95.509","0.001","90","","1016.7","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 -","- C23 H27 N3 O3 -","- C46 H54 N6 O6 -","2","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0252","0.025","","","0.066","0.067","","","","","","1.079","","","","has coordinates","193565","2020-10-21","18:00:00",""
"4032159","15.476","0.002","12.9994","0.0017","5.4283","0.0007","90","","90","","90","","1092.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0618","0.0516","","","0.1357","0.1435","","","","","","1.073","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032160","24","0.003","7.048","0.001","19.277","0.003","90","","117.566","0.002","90","","2890.6","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0902","0.0522","","","0.1434","0.1688","","","","","","1.015","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032161","7.493","0.0007","23.948","0.002","7.4662","0.0007","90","","91.094","0.001","90","","1339.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0651","0.0462","","","0.105","0.1147","","","","","","1.034","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032162","9.127","0.0018","16.25","0.003","10.496","0.002","90","","102.373","0.005","90","","1520.5","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N -","- C18 H14 F3 N -","- C72 H56 F12 N4 -","4","1","","Hanakawa, Taisyun; Isa, Kazuki; Isobe, Shin-Ichi; Hoshino, Yuji; Zhou, Biao; Kawatsura, Motoi","Intramolecular Construction of Trifluoromethyl Group by the Palladium-Catalyzed Alkylation of 2,3,3-Trifluoroallylic Carbonates with Indoles.","The Journal of organic chemistry","2017","82","4","2281","2287","10.1021/acs.joc.6b03085","","","0.71075","MoKα","","","0.0554","","","","0.1507","","","","","","1.107","","","","has coordinates","193572","2020-10-21","18:00:00",""
"4032163","9.904","0.004","8.337","0.003","29.035","0.012","90","","94.111","0.009","90","","2391.2","1.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 F5 I N3 O P -","- C26 H14 F5 I N3 O P -","- C104 H56 F20 I4 N12 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.2221","0.0753","","","0.0983","0.1365","","","","","","1.036","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032164","12.546","0.002","8.1344","0.0014","17.974","0.003","90","","99.441","0.004","90","","1809.5","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 I O P -","- C20 H14 I O P -","- C80 H56 I4 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0327","0.0266","","","0.0797","0.0831","","","","","","1.238","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032165","8.4788","0.0012","9.8691","0.0013","20.417","0.003","78.361","0.005","87.341","0.007","83.062","0.006","1660.6","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 F4 I N3 O3 P -","- C35 H31 F4 I N3 O3 P -","- C70 H62 F8 I2 N6 O6 P2 -","2","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0383","0.0357","","","0.1035","0.1055","","","","","","0.801","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032166","9.8605","0.0016","10.2577","0.0016","15.126","0.002","101.114","0.004","104.653","0.004","97.215","0.004","1427.7","0.4","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C38 H32 N2 O2 -","- C38 H32 N2 O2 -","- C76 H64 N4 O4 -","2","2","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.1467","0.0602","","","0.107","0.1296","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032167","9.5426","0.0005","14.1928","0.0006","18.2177","0.0008","90","","90","","90","","2467.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 F6 N2 P -","- C24 H29 F6 N2 P -","- C96 H116 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0416","","","0.0959","0.1048","","","","","","1.102","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032168","10.0763","0.0004","10.0763","","46.527","0.002","90","","90","","120","","4091.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 65","P 65","170","","","","- C27 H31 F6 N2 P -","- C27 H31 F6 N2 P -","- C162 H186 F36 N12 P6 -","6","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.066","0.0517","","","0.1318","0.1392","","","","","","1.056","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032169","15.1197","0.0009","17.6938","0.0011","28.1469","0.0017","90","","90","","90","","7530","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Cu N2 -","- C27 H30 Cl Cu N2 -","- C324 H360 Cl12 Cu12 N24 -","12","3","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.1634","0.0679","","","0.0927","0.117","","","","","","0.971","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032170","9.6418","0.0005","13.0731","0.0007","16.4088","0.001","90","","90","","90","","2068.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 N2 P -","- C19 H27 F6 N2 P -","- C76 H108 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0439","","","0.1079","0.1132","","","","","","1.019","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032171","7.109","","18.078","","14.867","","90","","95.1","","90","","1903.09","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 S Se -","- C21 H18 O2 S Se -","- C84 H72 O8 S4 Se4 -","4","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0448","0.0323","","","0.0976","0.114","","","","","","0.792","","","","has coordinates","209501","2020-10-21","18:00:00",""
"4032172","7.317","","8.14","","18.413","","86.1","","80.49","","64.64","","977.378","","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cl O2 S Se -","- C19 H21 Cl O2 S Se -","- C38 H42 Cl2 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0932","0.06","","","0.2012","0.2497","","","","","","0.894","","","","has coordinates","193570","2020-10-21","18:00:00",""
"4032173","44.129","0.012","14.749","0.004","16.465","0.004","90","","108.637","0.003","90","","10154","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","49A","22-1 complex","","- C96 H92 N4 O12 S24 -","- C96 H92.91 N4 O12 S24 -","- C384 H371.64 N16 O48 S96 -","4","0.5","","Duedal, Troels; Nielsen, Kent A.; Olsen, Gunnar; Rasmussen, Charlotte B. G.; Kongsted, Jacob; Levillain, Eric; Breton, Tony; Miyazaki, Eigo; Takimiya, Kazuo; Bähring, Steffen; Jeppesen, Jan O.","Very Strong Binding for a Neutral Calix[4]pyrrole Receptor Displaying Positive Allosteric Binding.","The Journal of organic chemistry","2017","82","4","2123","2128","10.1021/acs.joc.6b02944","","","0.71073","MoKα","","0.119","0.0858","","","0.1732","0.19","","","","","","1.14","","","","has coordinates,has disorder","193567","2020-10-21","18:00:00",""
"4032174","17.3587","0.0013","5.2827","0.0004","26.4239","0.0015","90","","93.815","0.006","90","","2417.7","0.3","176","6","176","6","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C128 H80 N16 O16 -","8","1","","Liu, Xing-Xing; Luo, Xin-Liang; Wu, Zhao-Yang; Cui, Xin-Feng; Zhou, Xiao-Qiang; He, Yong-Qin; Huang, Guo-Sheng","Oxidative Recyclization of 1H-Indoles for Synthesis of 2-Indolylbenzoxazinones via Cleavage of the C2-C3 Bond with AIBN under Air.","The Journal of organic chemistry","2017","82","4","2107","2113","10.1021/acs.joc.6b02893","","x-ray","0.71073","MoKα","","0.0858","0.0543","","","0.1071","0.1309","","","","","","1.072","","","","has coordinates","193569","2020-10-21","18:00:00",""
"4032175","19.969","0.003","12.545","0.002","14.105","0.003","90","","96.313","0.004","90","","3512","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 Cl N O2 -","- C23 H14 Cl N O2 -","- C184 H112 Cl8 N8 O16 -","8","2","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.1427","0.0847","","","0.2668","0.3061","","","","","","1.083","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032176","4.0329","0.0008","12.808","0.002","14.479","0.004","90","","91.794","0.008","90","","747.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 N O2 -","- C23 H13 N O2 -","- C46 H26 N2 O4 -","2","1","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.0584","0.042","","","0.0945","0.1071","","","","","","1.095","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032177","9.4357","0.0007","18.8121","0.0014","12.7774","0.0009","90","","99.29","0.001","90","","2238.3","0.3","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Br N2 -","- C29 H21 Br N2 -","- C116 H84 Br4 N8 -","4","1","","He, Ying-Ying; Sun, Xiao-Xue; Li, Guo-Hao; Mei, Guang-Jian; Shi, Feng","Substrate-Controlled Regioselective Arylations of 2-Indolylmethanols with Indoles: Synthesis of Bis(indolyl)methane and 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2017","82","5","2462","2471","10.1021/acs.joc.6b02850","","","0.71073","MoKα","","0.0522","0.0349","","","0.0804","0.0867","","","","","","1.021","","","","has coordinates","193550","2020-10-21","18:00:00",""
"4032178","9.3524","0.0003","9.4185","0.0003","12.0991","0.0004","109.872","0.0017","106.528","0.0017","92.9933","0.0016","947.68","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0503","0.0375","","","0.0921","0.1012","","","","","","1.044","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032179","9.4346","0.0002","13.9909","0.0004","14.0519","0.0004","90","","90","","90","","1854.83","0.08","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0382","0.0294","","","0.0649","0.0691","","","","","","1.047","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032180","17.3073","0.0007","9.4291","0.0004","17.5336","0.0007","90","","90","","90","","2861.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0632","0.0385","","","0.0875","0.1009","","","","","","1.053","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032181","9.43","0.007","17.122","0.013","11.039","0.008","90","","102.114","0.008","90","","1743","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.1082","0.0648","","","0.1924","0.237","","","","","","1.018","","","","has coordinates","193561","2020-10-21","18:00:00",""
"4032182","10.6227","0.0002","11.7438","0.0003","18.1448","0.0005","75.979","0.002","86.878","0.002","75.535","0.002","2126.48","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","2","","Guchhait, Sankar K.; Hura, Neha; Shah, Archana P.","Synthesis of Polysubstituted 2-Aminoimidazoles via Alkene-Diamination of Guanidine with Conjugated α-Bromoalkenones.","The Journal of organic chemistry","2017","82","5","2745","2752","10.1021/acs.joc.6b03021","","x-ray","0.71073","MoKα","","0.0718","0.0553","","","0.1545","0.1705","","","","","","1.035","","","","has coordinates","193556","2020-10-21","18:00:00",""
"4032183","16.953","0.002","10.6145","0.0014","22.394","0.003","90","","108.248","0.005","90","","3827.1","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0666","0.0582","","","0.1727","0.1802","","","","","","1.077","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032184","23.0446","0.0019","6.2463","0.0005","15.0567","0.0012","90","","99.378","0.003","90","","2138.3","0.3","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0422","0.0379","","","0.1027","0.1063","","","","","","1.046","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032185","25.879","0.002","7.4025","0.0006","13.146","0.001","90","","93.35","0.004","90","","2514.1","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.1014","0.0658","","","0.1662","0.182","","","","","","1.056","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032186","9.9417","0.0004","10.1104","0.0004","10.6132","0.0005","87.141","0.002","69.537","0.002","75.045","0.002","964.65","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C44 H32 N8 O6 -","2","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.0515","0.0419","","","0.1408","0.1613","","","","","","0.787","","","","has coordinates","193551","2020-10-21","18:00:00",""
"4032187","7.2554","0.0001","15.7659","0.0003","16.4944","0.0003","90","","90","","90","","1886.76","0.06","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O5 S -","- C18 H14 I N O5 S -","- C72 H56 I4 N4 O20 S4 -","4","1","","Zhang, Sheng; Li, Lijun; Xin, Lilan; Liu, Wenmin; Xu, Kun","Asymmetric Aziridination of N-Sulphonyl Ketimines with Unfunctionalized Ketones: A One-pot Approach to Multisubstituted Fused Aziridines.","The Journal of organic chemistry","2017","82","5","2399","2406","10.1021/acs.joc.6b02827","","","1.54184","CuKα","","0.0852","0.0842","","","0.2177","0.2203","","","","","","1.047","","","","has coordinates","193555","2020-10-21","18:00:00",""
"4032188","9.083","0.002","10.211","0.002","35.645","0.007","90","","91.08","0.03","90","","3305.4","1.2","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 N O4 S2 -","- C42 H33 N O4 S2 -","- C168 H132 N4 O16 S8 -","4","1","","Raji Reddy, Chada; Rani Valleti, Reddi; Sathish, Puppala","[4 + 2] Benzannulation of 3-Alkenylpyrroles/Thiophenes with Propargylic Alcohols: Access to Substituted Indoles, Benzothiophenes, and Aza[5]helicenes.","The Journal of organic chemistry","2017","82","5","2345","2354","10.1021/acs.joc.6b02637","","","0.71073","MoKα","","0.066","0.0565","","","0.1474","0.1545","","","","","","1.034","","","","has coordinates,has disorder","193553","2020-10-21","18:00:00",""
"4032189","9.4036","0.0012","13.463","0.002","14.262","0.002","68.045","0.005","86.331","0.007","72.802","0.007","1597.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BC-Ar","","","- C37 H38 Br N4 O3 -","- C37 H38 Br N4 O3 -","- C74 H76 Br2 N8 O6 -","2","1","","Zhang, Shaofei; Lindsey, Jonathan S.","Construction of the Bacteriochlorin Macrocycle with Concomitant Nazarov Cyclization To Form the Annulated Isocyclic Ring: Analogues of Bacteriochlorophyll a.","The Journal of organic chemistry","2017","82","5","2489","2504","10.1021/acs.joc.6b02878","","","0.71073","MoKα","","0.0663","0.038","","","0.0751","0.0828","","","","","","1.008","","","","has coordinates","193554","2020-10-21","18:00:00",""
"4032190","9.794","0.002","16.232","0.002","17.356","0.003","90","","105.695","0.011","90","","2656.3","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 N O6 S -","- C31 H31 N O6 S -","- C124 H124 N4 O24 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0257","0.0251","","","0.0681","0.0686","","","","","","1.034","","","","has coordinates","193552","2020-10-21","18:00:00",""
"4032191","15.0129","0.0004","10.2314","0.0002","21.1073","0.0006","90","","101.85","0.001","90","","3173.05","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H39 N O5 S -","- C40.5 H39 N O5 S -","- C162 H156 N4 O20 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0879","0.0813","","","0.316","0.3271","","","","","","1.534","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4032192","6.2759","0.0002","9.9429","0.0003","23.3483","0.0006","90","","90","","90","","1456.95","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Milbeo, Pierre; Moulat, Laure; Didierjean, Claude; Aubert, Emmanuel; Martinez, Jean; Calmès, Monique","Synthesis of Enantiopure 1,2-Diaminobicyclo[2.2.2]octane Derivatives, C1-Symmetric Chiral 1,2-Diamines with a Rigid Bicyclic Backbone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00122","","","1.54184","CuKα","","0.0434","0.0392","","","0.0983","0.103","","","","","","1.061","","","","has coordinates","192649","2020-10-21","18:00:00",""
"4032193","11.197","0.005","21.811","0.005","11.71","0.005","90","0.005","101.201","0.005","90","0.005","2805.3","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F N2 O6 S -","- C31 H31 F N2 O6 S -","- C124 H124 F4 N8 O24 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1802","0.075","","","0.1484","0.1912","","","","","","1.031","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032194","15.4759","0.0009","9.5223","0.0005","18.2158","0.0009","90","","110.754","0.002","90","","2510.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O4 S -","- C29 H30 N2 O4 S -","- C116 H120 N8 O16 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1394","0.0648","","","0.1226","0.148","","","","","","1.033","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032195","7.517","0.003","9.801","0.004","11.65","0.005","113.325","0.007","97.507","0.007","97.595","0.007","765.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Wang, Wenhui; Han, Junwen; Sun, Jinwei; Liu, Yun","CuBr-Catalyzed Aerobic Decarboxylative Cycloaddition for the Synthesis of Indolizines under Solvent-Free Conditions.","The Journal of organic chemistry","2017","82","6","2835","2842","10.1021/acs.joc.6b02455","","","0.71073","MoKα","","0.0536","0.0414","","","0.1143","0.1223","","","","","","1.093","","","","has coordinates","194854","2020-10-21","18:00:00",""
"4032196","6.3339","0.0012","12.98","0.003","15.571","0.003","75.326","0.009","86.373","0.006","76.86","0.006","1206","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 Br2 O4 -","- C24 H28 Br2 O4 -","- C48 H56 Br4 O8 -","2","1","","Guchhait, Sandip; Chatterjee, Shamba; Ampapathi, Ravi Sankar; Goswami, Rajib Kumar","Total Synthesis of Reported Structure of Baulamycin A and Its Congeners.","The Journal of organic chemistry","2017","82","5","2414","2435","10.1021/acs.joc.6b02838","","","0.71073","MoKα","","0.1889","0.0584","","","0.118","0.1574","","","","","","0.974","","","","has coordinates","193559","2020-10-21","18:00:00",""
"4032197","11.1054","0.0003","13.0801","0.0004","14.4592","0.0004","90","","92.462","0.001","90","","2098.4","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","2","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0265","0.0265","","","0.0674","0.0675","","","","","","1.06","","","","has coordinates","194858","2020-10-21","18:00:00",""
"4032198","7.34","0.0015","15.44","0.003","16.48","0.003","114.57","0.03","97.75","0.03","94.55","0.03","1663.9","0.7","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C25.66667 H34.66667 O5.66667 -","- C25.6667 H34.6667 O5.66667 -","- C77 H104 O17 -","3","3","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0672","0.0648","","","0.1746","0.1779","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032199","9.1127","0.0007","11.0557","0.0009","12.2422","0.0009","115.584","0.002","100.509","0.002","94.304","0.002","1077.2","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C54 H48 O8 -","2","1","","Novikov, Roman A.; Tarasova, Anna V.; Denisov, Dmitry A.; Borisov, Denis D.; Korolev, Victor A.; Timofeev, Vladimir P.; Tomilov, Yury V.","[4 + 2] Annulation of Donor-Acceptor Cyclopropanes with Acetylenes Using 1,2-Zwitterionic Reactivity.","The Journal of organic chemistry","2017","82","5","2724","2738","10.1021/acs.joc.7b00209","","","0.71073","MoKα","","0.0864","0.0589","","","0.1161","0.1318","","","","","","1.09","","","","has coordinates","193560","2020-10-21","18:00:00",""
"4032200","16.9808","0.0005","19.2205","0.0005","9.7931","0.0003","90","","99.3754","0.0017","90","","3153.57","0.16","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O8 S -","- C30 H36 N6 O8 S -","- C120 H144 N24 O32 S4 -","4","1","","Inoue, Naoya; Nakano, Shun-Ichi; Harada, Shingo; Hamada, Yasumasa; Nemoto, Tetsuhiro","Synthetic Study of Dragmacidin E: Construction of the Core Structure Using Pd-Catalyzed Cascade Cyclization and Rh-Catalyzed Aminoacetoxylation.","The Journal of organic chemistry","2017","82","5","2787","2793","10.1021/acs.joc.7b00083","","","1.54187","CuKα","","0.0982","0.0714","","","0.1451","0.1556","","","","","","0.99","","","","has coordinates","193563","2020-10-21","18:00:00",""
"4032201","6.2573","0.0008","14.6575","0.0016","18.162","0.002","90","","92.354","0.004","90","","1664.3","0.3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","phenyl(1-phenylnaphtalen-2-yl)selane","phenyl(1-phenylnaphtalen-2-yl)selane","","- C22 H16 Se -","- C22 H16 Se -","- C88 H64 Se4 -","4","1","","Recchi, Ana M. S.; Back, Davi F.; Zeni, Gilson","Sequential Carbon-Carbon/Carbon-Selenium Bond Formation Mediated by Iron(III) Chloride and Diorganyl Diselenides: Synthesis and Reactivity of 2-Organoselenyl-Naphthalenes.","The Journal of organic chemistry","2017","82","5","2713","2723","10.1021/acs.joc.7b00050","","","0.71073","MoKα","","0.0621","0.0474","","","0.1262","0.1458","","","","","","1.096","","","","has coordinates","193564","2020-10-21","18:00:00",""
"4032202","9.8413","0.0018","10.0342","0.0018","13.628","0.003","93.941","0.002","107.147","0.002","108.694","0.002","1198.1","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br F N O2 -","- C30 H21 Br F N O2 -","- C60 H42 Br2 F2 N2 O4 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.0979","0.0508","","","0.1269","0.1729","","","","","","1.043","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032203","6.927","0.006","11.029","0.01","14.424","0.013","83.271","0.012","82.416","0.011","72.366","0.011","1037.5","1.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Br O3 -","- C24 H19 Br O3 -","- C48 H38 Br2 O6 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1126","0.0475","","","0.1126","0.1442","","","","","","0.982","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032204","8.962","0.005","16.83","0.008","12.534","0.006","90","","93.461","0.007","90","","1887.1","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1198","0.0634","","","0.1547","0.1944","","","","","","0.985","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032205","11.8124","0.0005","14.2482","0.0006","12.3794","0.0006","90","","102.181","0.002","90","","2036.61","0.16","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C92 H88 N8 O8 S4 -","4","1","","Hu, Zhiyuan; Zhao, Ting; Wang, Manman; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Intramolecular C-H Amidation for the Synthesis of N-Substituted Benzimidazoles.","The Journal of organic chemistry","2017","82","6","3152","3158","10.1021/acs.joc.7b00142","","","0.71073","MoKα","","0.083","0.0592","","","0.1599","0.1822","","","","","","1.292","","","","has coordinates","194856","2020-10-21","18:00:00",""
"4032206","19.003","0.0011","23.7576","0.0013","10.0893","0.0006","90","","90","","90","","4555","0.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","12246c","","","- C55 H45 Cl N O5 P2 Rh -","- C55 H45 Cl N O5 P2 Rh -","- C220 H180 Cl4 N4 O20 P8 Rh4 -","4","1","","Hoang, Giang T.; Walsh, Dylan J.; McGarry, Kathryn A.; Anderson, Constance B.; Douglas, Christopher J.","Development and Mechanistic Study of Quinoline-Directed Acyl C-O Bond Activation and Alkene Oxyacylation Reactions.","The Journal of organic chemistry","2017","82","6","2972","2983","10.1021/acs.joc.6b03011","","","0.71073","MoKα","","0.0391","0.0311","","","0.0627","0.0658","","","","","","1.034","","","","has coordinates","194859","2020-10-21","18:00:00",""
"4032207","13.2276","0.0004","13.4508","0.0003","13.5559","0.0004","90","","118.298","0.004","90","","2123.65","0.13","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H37.5 B F10 N4.5 O2 Rh -","- C41 H37.5 B F10 N4.5 O2 Rh -","- C82 H75 B2 F20 N9 O4 Rh2 -","2","1","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.0351","0.0334","","","0.0876","0.0897","","","","","","1.058","","","","has coordinates,has disorder","193209","2020-10-21","18:00:00",""
"4032208","8.921","0.003","9.782","0.003","14.502","0.004","105.524","0.004","92.529","0.004","112.732","0.004","1109","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C56 H42 N6 O4 -","2","1","","Das, Tuluma; Debnath, Sudipto; Maiti, Rituparna; Maiti, Dilip K.","Multifold C-C Coupling and Unorthodox Cyclization Catalysis for Selective Synthesis of Indolotriarylmethanes, Indolocarbazoles, and Their Analogues: A Control Experiment Study.","The Journal of organic chemistry","2017","82","1","688","700","10.1021/acs.joc.6b02689","","","0.71073","MoKα","","0.1052","0.0707","","","0.0961","0.1029","","","","","","2.094","","","","has coordinates","193210","2020-10-21","18:00:00",""
"4032209","21.8138","0.0007","7.3006","0.0002","21.2458","0.0008","90","","110.154","0.004","90","","3176.3","0.2","293","2","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Organic Sample","","- C30 H25 O4 -","- C30.4 H28.8 O6.4 -","- C152 H144 O32 -","5","0.625","","Suchand, Basuli; Satyanarayana, Gedu","Palladium-Catalyzed Acylations: One-Pot Synthesis of Indenones.","The Journal of organic chemistry","2017","82","1","372","381","10.1021/acs.joc.6b02453","","","0.7107","MoKα","","0.0888","0.0588","","","0.1762","0.2076","","","","","","1.145","","","","has coordinates","193211","2020-10-21","18:00:00",""
"4032210","16.865","0.007","24.087","0.01","6.115","0.003","90","","90","","90","","2484.1","1.9","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H27 N2 O5 S2 -","- C25 H27 N2 O5 S2 -","- C100 H108 N8 O20 S8 -","4","1","","Zhao, Senzhi; Andrade, Rodrigo B.","Development and Scope of the Arene-Fused Domino Michael/Mannich Reaction: Application to the Total Syntheses of Aspidosperma Alkaloids (-)-Aspidospermidine, (-)-Tabersonine, and (-)-Vincadifformine.","The Journal of organic chemistry","2017","82","1","521","531","10.1021/acs.joc.6b02551","","","0.71073","MoKα","","0.0742","0.045","","","0.1004","0.116","","","","","","1.059","","","","has coordinates","193212","2020-10-21","18:00:00",""
"4032211","9.7434","0.0005","3.9162","0.0002","26.2218","0.0012","90","","95.4561","0.0015","90","","996.01","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N3 S -","- C11 H7 N3 S -","- C44 H28 N12 S4 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.0746","0.065","","","0.1505","0.1666","","","","","","1.178","","","","has coordinates","193213","2020-10-21","18:00:00",""
"4032212","14.1851","0.0005","9.0849","0.0005","8.6746","0.0007","90","","90","","90","","1117.9","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H6 Cl N O S2 -","- C11 H6 Cl N O S2 -","- C44 H24 Cl4 N4 O4 S8 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.1035","0.0586","","","0.1371","0.1993","","","","","","1.135","","","","has coordinates","193214","2020-10-21","18:00:00",""
"4032213","10.4251","0.0002","12.3394","0.0003","14.8471","0.0003","81.0026","0.001","79.8305","0.0012","72.2883","0.0011","1780.04","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 Fe N7 -","- C37 H51 Fe N7 -","- C74 H102 Fe2 N14 -","2","1","","Spahn, Nathan A.; Nguyen, Minh H.; Renner, Jonas; Lane, Timothy K.; Louie, Janis","Regioselective Iron-Catalyzed [2 + 2 + 2] Cycloaddition Reaction Forming 4,6-Disubstituted 2-Aminopyridines from Terminal Alkynes and Cyanamides.","The Journal of organic chemistry","2017","82","1","234","242","10.1021/acs.joc.6b02374","","","0.71073","MoKα","","0.0586","0.0407","","","0.0973","0.1067","","","","","","1.029","","","","has coordinates","193215","2020-10-21","18:00:00",""
"4032214","6.0519","0.0003","7.661","0.0004","11.9361","0.0006","88.489","0.004","87.47","0.004","86.454","0.004","551.65","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","1","1","","Ručil, Tomáš; Trávníček, Zdeněk; Cankař, Petr","Ring-Opening Reactions of the N-4-Nosyl Hough-Richardson Aziridine with Nitrogen Nucleophiles.","The Journal of organic chemistry","2017","82","1","723","730","10.1021/acs.joc.6b01942","","","0.71073","MoKα","","0.0571","0.0462","","","0.0996","0.1047","","","","","","1.053","","","","has coordinates","193216","2020-10-21","18:00:00",""
"4032215","7.2594","0.0003","10.1015","0.0004","26.4392","0.0012","90","","90","","90","","1938.81","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.055","0.0486","","","0.121","0.1264","","","","","","1.06","","","","has coordinates","193217","2020-10-21","18:00:00",""
"4032216","11.1118","0.0009","21.422","0.0018","10.2188","0.0009","90","","90","","90","","2432.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H29 N O6 S Si -","- C23 H29 N O6 S Si -","- C92 H116 N4 O24 S4 Si4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.0744","0.0445","","","0.0704","0.0788","","","","","","1.022","","","","has coordinates","193218","2020-10-21","18:00:00",""
"4032217","8.0753","0.0009","24.06","0.003","9.5701","0.001","90","","96.738","0.005","90","","1846.5","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O5 -","- C21 H15 Br O5 -","- C84 H60 Br4 O20 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1365","0.0623","","","0.1501","0.2097","","","","","","1.105","","","","has coordinates,has disorder","193219","2020-10-21","18:00:00",""
"4032218","8.716","0.0008","9.5661","0.0006","27.714","0.002","90","","93.51","0.004","90","","2306.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br N O6 -","- C25 H22 Br N O6 -","- C100 H88 Br4 N4 O24 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1354","0.0596","","","0.1389","0.2125","","","","","","1.034","","","","has coordinates,has disorder","193220","2020-10-21","18:00:00",""
"4032219","35.968","0.006","13.63","0.003","10.231","0.002","90","","93.174","0.01","90","","5008","1.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N O5 -","- C24 H24 Br N O5 -","- C192 H192 Br8 N8 O40 -","8","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.099","0.047","","","0.1006","0.1147","","","","","","0.921","","","","has coordinates","193221","2020-10-21","18:00:00",""
"4032220","7.813","0.0001","11.5034","0.0002","14.4925","0.0002","90","","90","","90","","1302.53","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I O4 -","- C11 H17 I O4 -","- C44 H68 I4 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0221","0.021","","0.0511","0.0504","0.0511","","","","","","1.0039","","","","has coordinates","193222","2020-10-21","18:00:00",""
"4032221","16.8154","0.0008","4.5652","0.0002","15.701","0.0008","90","","120.592","0.0019","90","","1037.53","0.09","200","","200","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0339","0.0306","","0.0734","0.0708","0.0734","","","","","","0.9928","","","","has coordinates","193223","2020-10-21","18:00:00",""
"4032222","17.5832","0.0015","4.7115","0.0001","13.4131","0.0008","90","","111.36","0.012","90","","1034.86","0.14","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0222","0.0217","","0.0594","0.0587","0.0594","","","","","","1.0009","","","","has coordinates","193224","2020-10-21","18:00:00",""
"4032223","7.445","0.004","12.465","0.005","16.095","0.006","90","","90","","90","","1493.6","1.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Majewski, Mark W.; Miller, Patricia A.; Oliver, Allen G.; Miller, Marvin J.","Alternate ""Drug"" Delivery Utilizing β-Lactam Cores: Syntheses and Biological Evaluation of β-Lactams Bearing Isocyanate Precursors.","The Journal of organic chemistry","2017","82","1","737","744","10.1021/acs.joc.6b02272","","","1.54184","CuKα","","0.041","0.0401","","","0.1058","0.107","","","","","","1.034","","","","has coordinates","193225","2020-10-21","18:00:00",""
"4032224","6.153","0.002","28.21","0.009","9.988","0.003","90","","90.59","0.007","90","","1733.6","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1082","0.1011","","","0.2978","0.3034","","","","","","1.112","","","","has coordinates","193226","2020-10-21","18:00:00",""
"4032225","36.221","0.007","6.0462","0.0011","20.697","0.004","90","","120.45","0.002","90","","3907.5","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C176 H184 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0405","0.0343","","","0.0936","0.0988","","","","","","1.073","","","","has coordinates","193227","2020-10-21","18:00:00",""
"4032226","18.318","0.006","5.547","0.002","20.496","0.007","90","","109.811","0.006","90","","1959.3","1.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0955","0.05","","","0.1086","0.1266","","","","","","1.015","","","","has coordinates","193228","2020-10-21","18:00:00",""
"4032227","10.2479","0.0006","9.0512","0.0004","19.2696","0.0012","90","","94.084","0.004","90","","1782.83","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S2 -","- C20 H21 N O2 S2 -","- C80 H84 N4 O8 S8 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0853","","","0.2079","0.2312","","","","","","1.138","","","","has coordinates","193229","2020-10-21","18:00:00",""
"4032228","12.3783","0.0009","17.2914","0.0013","18.284","0.0014","90","","90","","90","","3913.5","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C184 H200 N8 O16 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0947","0.0445","","","0.1062","0.1311","","","","","","1.009","","","","has coordinates","193230","2020-10-21","18:00:00",""
"4032229","8.0991","0.0003","11.0021","0.0004","12.0817","0.0004","95.876","0.002","96.881","0.002","97.458","0.002","1052.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C48 H50 N2 O8 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0974","0.0656","","","0.1692","0.19","","","","","","1.065","","","","has coordinates,has disorder","193231","2020-10-21","18:00:00",""
"4032230","10.759","0.0012","14.439","0.0015","15.4335","0.0015","86.843","0.003","89.521","0.003","80.881","0.003","2363.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1199","0.0594","","","0.1131","0.1454","","","","","","0.99","","","","has coordinates","193232","2020-10-21","18:00:00",""
"4032231","6.0902","0.0006","14.6898","0.0015","23.027","0.003","90","","91.588","0.007","90","","2059.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.155","0.0558","","","0.1041","0.1376","","","","","","0.998","","","","has coordinates","193233","2020-10-21","18:00:00",""
"4032232","12.0743","0.0016","13.2209","0.0018","17.073","0.002","71.182","0.003","73.445","0.003","83.504","0.003","2472.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded Porphyrin","Heterocyclic Macrocycle","","- C118 H114 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","1","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.1292","0.0737","","","0.1876","0.2249","","","","","","1.038","","","","has coordinates,has disorder","193234","2020-10-21","18:00:00",""
"4032233","12.123","0.006","18.835","0.01","19.026","0.01","113.593","0.005","100.841","0.006","90.554","0.006","3893","3","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded phorphyrin","Fused Heterocyclic macrocycle","","- C88 H58 F10 N4 O3 S4 -","- C88 H58 F10 N4 O3 S4 -","- C176 H116 F20 N8 O6 S8 -","2","1","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.0947","0.0677","","","0.1828","0.2107","","","","","","1.023","","","","has coordinates,has disorder","193235","2020-10-21","18:00:00",""
"4032234","35.044","0.002","8.284","0.0006","12.6899","0.0007","90","","98.376","0.005","90","","3644.6","0.4","292.81","0.1","292.81","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Chen, Jian-Qiang; Yu, Wan-Lei; Wei, Yun-Long; Li, Teng-Hui; Xu, Peng-Fei","Photoredox-Induced Functionalization of Alkenes for the Synthesis of Substituted Imidazolines and Oxazolidines.","The Journal of organic chemistry","2017","82","1","243","249","10.1021/acs.joc.6b02377","","","0.71073","MoKα","","0.0885","0.0524","","","0.1134","0.1384","","","","","","1.039","","","","has coordinates","193236","2020-10-21","18:00:00",""
"4032235","14.384","0.005","10.019","0.005","15.264","0.005","90","0.005","102.399","0.005","90","0.005","2148.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 F N O -","- C25 H24 F N O -","- C100 H96 F4 N4 O4 -","4","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.18","0.0624","","","0.1425","0.19","","","","","","0.801","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032236","17.566","0.005","16.38","0.005","22.132","0.005","90","0.005","90","0.005","90","0.005","6368","3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C39 H35 N O -","- C39 H35 N O -","- C312 H280 N8 O8 -","8","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.1249","0.064","","","0.1648","0.2075","","","","","","0.944","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032237","7.8315","0.001","17.644","0.002","13.1719","0.0019","90","","96.333","0.011","90","","1809","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.1101","0.0396","","","0.0757","0.0829","","","","","","1","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032238","8.0289","0.0003","10.1511","0.0005","22.4007","0.0012","82.712","0.004","86.457","0.004","86.322","0.004","1804.57","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","2","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1047","0.0592","","","0.1644","0.2027","","","","","","1.007","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032239","10.4037","0.0006","8.6319","0.0004","19.9954","0.0014","90","","92.563","0.006","90","","1793.86","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1459","0.0585","","","0.1226","0.1605","","","","","","1.004","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032240","7.8569","0.0005","18.165","0.002","14.8317","0.0017","90","","98.142","0.008","90","","2095.5","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.0972","0.0386","","","0.077","0.0817","","","","","","1.009","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032241","13.6688","0.0004","21.5451","0.0007","16.0285","0.0003","90","","90.831","0.002","90","","4719.8","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-2,3-diphenyl-7H-imidazo[2,1-a]pyrrolo[3,2-c]isoquinoline","","- C32 H24 N3 O0.5 -","- C32 H24 N3 O0.5 -","- C256 H192 N24 O4 -","8","2","","Tomashenko, Olesya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","NHC as the Guiding Factor in a Copper-Catalyzed Intramolecular C Arylation of Pyrrolylimidazolium Salts: Synthesis of Luminescent Heterotetracyclic Frameworks.","The Journal of organic chemistry","2017","82","1","616","623","10.1021/acs.joc.6b02627","","","1.54184","CuKα","","0.0519","0.0437","","","0.1069","0.1129","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032242","11.9329","0.0019","6.4776","0.0008","14.471","0.004","90","","107.99","0.02","90","","1063.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 O2 -","- C13 H15 O2 -","- C52 H60 O8 -","4","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","","0.7107","MoKα","","0.1183","0.08","","","0.2033","0.2494","","","","","","1.246","","","","has coordinates","193240","2020-10-21","18:00:00",""
"4032243","8.1146","0.0011","19.14","0.003","11.5187","0.0016","90","","110.431","0.003","90","","1676.5","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(2-(5-bromo-2-methyl-1H-indol-3-yl)-1-phenylethyl)acetamide","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C76 H76 Br4 N8 O4 -","4","2","","Salikov, Rinat F.; Trainov, Konstantin P.; Levina, Anastasia A.; Belousova, Irina K.; Medvedev, Michael G.; Tomilov, Yury V.","Synthesis of Branched Tryptamines via the Domino Cloke-Stevens/Grandberg Rearrangement.","The Journal of organic chemistry","2017","82","1","790","795","10.1021/acs.joc.6b02578","","","0.71073","MoKα","","0.0567","0.0382","","","0.0718","0.0772","","","","","","0.898","","","","has coordinates","193241","2020-10-21","18:00:00",""
"4032244","11.2358","0.0006","11.5376","0.0006","12.5681","0.0009","85.28","0.005","89.607","0.005","87.723","0.004","1622.44","0.17","294.44","0.1","294.44","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 O7 -","- C38 H46 O7 -","- C76 H92 O14 -","2","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.109","0.0792","","","0.2094","0.2369","","","","","","1.043","","","","has coordinates","193242","2020-10-21","18:00:00",""
"4032245","12.7954","0.0006","10.4","0.0006","16.4115","0.0008","90","","105.687","0.006","90","","2102.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C100 H104 O16 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.1192","0.0614","","","0.1113","0.1505","","","","","","1.068","","","","has coordinates","193243","2020-10-21","18:00:00",""
"4032246","12.8918","0.0005","11.5509","0.0005","12.5129","0.0005","90","","100.235","0.004","90","","1833.67","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","1.54184","CuKα","","0.0488","0.0471","","","0.1226","0.1244","","","","","","1.046","","","","has coordinates","193244","2020-10-21","18:00:00",""
"4032247","12.843","0.012","11.009","0.01","18.175","0.017","90","","103.298","0.012","90","","2501","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N5 O3 -","- C29 H21 N5 O3 -","- C116 H84 N20 O12 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1038","0.0611","","","0.1786","0.2123","","","","","","1.005","","","","has coordinates","193245","2020-10-21","18:00:00",""
"4032248","13.565","0.011","11.634","0.009","14.456","0.011","90","","93.247","0.012","90","","2278","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N5 O S -","- C27 H19 N5 O S -","- C108 H76 N20 O4 S4 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1012","0.0461","","","0.0998","0.12","","","","","","1.026","","","","has coordinates","193246","2020-10-21","18:00:00",""
"4032249","20.8628","0.0009","21.7014","0.0013","22.9812","0.001","90","","116.1","0.002","90","","9343.8","0.8","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C198 H211 N24 O21.5 S9 -","- C198 H210 N24 O21.5 S9 -","- C396 H420 N48 O43 S18 -","2","1","","Wang, Zhenzhen; Nour, Hany F.; Roch, Loïc M; Guo, Minjie; Li, Wenjiao; Baldridge, Kim K.; Sue, Andrew C. H.; Olson, Mark A.","[3+3] Cyclocondensation of Disubstituted Biphenyl Dialdehydes: Access to Inherently Luminescent and Optically Active Hexa-substituted C3-Symmetric and Asymmetric Trianglimine Macrocycles.","The Journal of organic chemistry","2017","82","5","2472","2480","10.1021/acs.joc.6b02868","","","0.71073","MoKα","","0.0424","0.0391","","","0.1013","0.1036","","","","","","1.037","","","","has coordinates,has disorder","193247","2020-10-21","18:00:00",""
"4032250","12.3866","0.00018","27.0237","0.0004","16.157","0.0003","90","","103.096","0.0015","90","","5267.6","0.15","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H72 Cl N O11 P -","- C49 Cl N1.5 O10.5 P -","- C196 Cl4 N6 O42 P4 -","4","2","","Liu, Shuang; Li, Yuming; Yin, Zhiyu; Yu, Qiuli; Miao, Zhiwei","Diastereoselective Synthesis of Adjacent P,C-Stereogenic β-N-Glycosidic Linked α-Aminophosphinates.","The Journal of organic chemistry","2017","82","5","2481","2488","10.1021/acs.joc.6b02877","","x-ray","0.71073","MoKα","","0.074","0.0694","","","0.2041","0.208","","","","","","1.622","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032251","12.6934","0.0011","18.5229","0.0016","14.3034","0.0012","90","","112.18","0.0012","90","","3114.1","0.5","100","2","100.62","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 B N O2 -","- C35 H46 B N O2 -","- C140 H184 B4 N4 O8 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.0596","0.0529","","","0.1298","0.1355","","","","","","1.033","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032252","18.851","0.006","17.727","0.006","18.924","0.006","90","","96.903","0.005","90","","6278","4","101","2","101.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H92 B2 N2 O5 -","- C67 H92 B2 N2 O5 -","- C268 H368 B8 N8 O20 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.1061","0.0719","","","0.1758","0.1971","","","","","","1.014","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032253","6.75819","0.00013","8.55021","0.00016","24.5163","0.0005","90","","97.7995","0.0019","90","","1403.54","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Huang, Jin; Wang, Wei; He, Hai-Yu; Jian, Lei; Fu, Hai-Yan; Zheng, Xue-Li; Chen, Hua; Li, Rui-Xiang","An Approach to the Synthesis of 1-Propenylnaphthols and 3-Arylnaphtho[2,1-b]furans.","The Journal of organic chemistry","2017","82","5","2523","2534","10.1021/acs.joc.6b02902","","x-ray","1.54184","CuKα","","0.0552","0.0514","","","0.1391","0.1445","","","","","","1.0658","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032254","8.95","0.001","9.477","0.001","32.179","0.002","83.849","0.002","87.952","0.002","64.773","0.001","2454.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F9 N3 O -","- C15 H8 F9 N3 O -","- C90 H48 F54 N18 O6 -","6","3","","Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu","Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies.","The Journal of organic chemistry","2017","82","5","2336","2344","10.1021/acs.joc.6b02570","","","0.71073","MoKα","","0.1039","0.0686","","","0.1757","0.2111","","","","","","1.175","","","","has coordinates,has disorder","193251","2020-10-21","18:00:00",""
"4032255","15.5375","0.001","6.0426","0.0004","23.7983","0.0016","90","","93.08","0.003","90","","2231.1","0.3","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 B Cl2 F2 N2 -","- C27 H17 B Cl2 F2 N2 -","- C108 H68 B4 Cl8 F8 N8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0626","0.0408","","","0.0985","0.1091","","","","","","1.034","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032256","27.801","0.003","8.5828","0.0011","25.471","0.004","90","","105.021","0.01","90","","5870","1.4","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 B F2 N2 -","- C39 H27 B F2 N2 -","- C312 H216 B8 F16 N16 -","8","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1578","0.0767","","","0.1759","0.218","","","","","","0.981","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032257","13.7912","0.0004","10.6546","0.0004","15.2354","0.0006","90","","99.863","0.002","90","","2205.6","0.14","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 B Cl4 F2 N2 O2 -","- C23 H13 B Cl4 F2 N2 O2 -","- C92 H52 B4 Cl16 F8 N8 O8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0614","0.0453","","","0.1209","0.1303","","","","","","1.041","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032258","13.0943","0.0015","13.8006","0.0016","17.659","0.002","83.546","0.007","83.396","0.007","80.198","0.007","3109.6","0.6","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 B Cl2 F2 N2 O4 -","- C37 H27 B Cl2 F2 N2 O4 -","- C148 H108 B4 Cl8 F8 N8 O16 -","4","2","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1765","0.0926","","","0.2124","0.2638","","","","","","0.95","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032259","6.4378","0.0003","13.1056","0.0007","15.3828","0.0008","84.902","0.002","79.56","0.002","84.62","0.002","1267.33","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 B Cl2 F2 N3 O2 -","- C30 H20 B Cl2 F2 N3 O2 -","- C60 H40 B2 Cl4 F4 N6 O4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0524","0.0377","","","0.0853","0.0921","","","","","","1.023","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032260","9.8322","0.0008","13.3203","0.0011","15.0587","0.0012","72.208","0.006","74.473","0.006","81.456","0.006","1804.5","0.3","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 B F2 N3 O2 S2 -","- C38 H26 B F2 N3 O2 S2 -","- C76 H52 B2 F4 N6 O4 S4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1056","0.0616","","","0.153","0.17","","","","","","1.009","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032261","10.3829","0.0009","14.3659","0.0014","15.0975","0.0014","75.674","0.007","89.346","0.007","78.359","0.007","2135.3","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C45 H32 B Cl3 F2 N4 O3 -","- C45 H32 B Cl3 F2 N4 O3 -","- C90 H64 B2 Cl6 F4 N8 O6 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1289","0.1046","","","0.3218","0.3413","","","","","","1.28","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032262","9.5297","0.0018","13.296","0.003","15.643","0.003","90","","90","","90","","1982.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C80 H80 N8 O28 S4 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.0449","0.0344","","","0.075","0.0812","","","","","","1.049","","","","has coordinates","193253","2020-10-21","18:00:00",""
"4032263","7.5338","0.0002","15.4969","0.0004","17.657","0.0005","90","","90","","90","","2061.46","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0301","0.0301","","","0.0778","0.0778","","","","","","1.103","","","","has coordinates","193254","2020-10-21","18:00:00",""
"4032264","13.1263","0.0009","18.8252","0.0013","13.4559","0.001","90","","112.916","0.009","90","","3062.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","2","","Ali, Wajid; Dahiya, Anjali; Pandey, Ramdhari; Alam, Tipu; Patel, Bhisma K.","Microwave-Assisted Cascade Strategy for the Synthesis of Indolo[2,3-b]quinolines from 2-(Phenylethynyl)anilines and Aryl Isothiocynates.","The Journal of organic chemistry","2017","82","4","2089","2096","10.1021/acs.joc.6b02912","","","0.71073","MoKα","","0.1307","0.0811","","","0.1604","0.19","","","","","","1.089","","","","has coordinates","193255","2020-10-21","18:00:00",""
"4032265","27.6286","0.0014","14.36","0.0006","19.9963","0.0009","90","","109.596","0.008","90","","7474","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(NEt4)[SC6H3{NHCOC(C6H4-t-Bu)3}2]-1.75CH3CN","","- C81.5 H108.25 N4.75 O2 S -","- C81.492 H108.238 N4.746 O2 S -","- C325.968 H432.952 N18.984 O8 S4 -","4","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1665","0.0808","","","0.1729","0.2085","","","","","","1.017","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032266","16.4123","0.0005","21.6199","0.0007","28.373","0.002","111.727","0.008","92.205","0.007","100.836","0.007","9121","1","200","","200","","","","","","","","","6","P -1","-P 1","2","","(NEt4)[L1I2]-L1I-8toluene","","- C204 H250 I3 N5 O4 S2 -","- C204 H250 I3 N5 O4 S2 -","- C408 H500 I6 N10 O8 S4 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1274","0.0746","","","0.1668","0.1949","","","","","","1.024","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032267","14.3441","0.0004","40.3816","0.0009","11.4691","0.0003","90","","90","","90","","6643.3","0.3","200","","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","{(t-BuC6H4)3CCONH}2C6H3SI-DME","","- C74 H93 I N2 O4 S -","- C74 H93 I N2 O4 S -","- C296 H372 I4 N8 O16 S4 -","4","0.5","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0812","0.0541","","","0.1269","0.1397","","","","","","1.026","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032268","14.9171","0.0004","16.692","0.0005","21.1318","0.0007","96.468","0.007","110.11","0.008","94.888","0.007","4866","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","(NEt4)[{(t-BuC6H4)3CCONH}2C6H3SI-I]-5(CHCl3)","","- C83 H108 Cl15 I2 N3 O2 S -","- C83 H108 Cl15 I2 N3 O2 S -","- C166 H216 Cl30 I4 N6 O4 S2 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0906","0.0695","","","0.1901","0.2024","","","","","","1.091","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032269","27.622","0.008","27.622","0.008","19.122","0.002","90","","90","","120","","12635","5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H26 N4 O3 S -","- C27 H26 N4 O3 S -","- C486 H468 N72 O54 S18 -","18","1","","Hoang, Anita; Popov, Kirill; Somfai, Peter","An Efficient Synthesis of (±)-Dehaloperophoramidine.","The Journal of organic chemistry","2017","82","4","2171","2176","10.1021/acs.joc.6b02969","","x-ray","0.7107","MoKα","","0.2216","0.0905","","","0.152","0.1655","","","","3.36","3.36","1.94","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4032270","6.826","0.008","7.652","0.009","20.88","0.03","90","","92.8","0.02","90","","1089","2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Br N6 S -","- C22 H29 Br N6 S -","- C44 H58 Br2 N12 S2 -","2","1","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","x-ray","0.71073","MoKα","","0.2198","0.0994","","","0.197","0.2507","","","","","","0.98","","","","has coordinates","193258","2020-10-21","18:00:00",""
"4032271","11.376","0.0018","7.9619","0.0013","18.978","0.003","90","","100.026","0.004","90","","1692.7","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 F3 N4 O2 S -","- C15 H19 F3 N4 O2 S -","- C60 H76 F12 N16 O8 S4 -","4","2","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","","0.71073","MoKα","","0.1386","0.0713","","","0.1431","0.1756","","","","","","1.013","","","","has coordinates,has disorder","193259","2020-10-21","18:00:00",""
"4032272","11.0651","0.0007","11.7597","0.0007","13.8038","0.0008","65.204","0.002","69.405","0.002","66.42","0.002","1457.44","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F12 N6 Ni P2 -","- C24 H22 F12 N6 Ni P2 -","- C48 H44 F24 N12 Ni2 P4 -","2","1","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0499","0.0441","","","0.1131","0.1175","","","","","","1.025","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032273","15.9755","0.0008","20.1371","0.001","14.1329","0.0007","90","","97.688","0.002","90","","4505.7","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C168 H140 Cl8 F48 N36 Ni8 P8 -","4","0.5","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0361","0.0284","","","0.0598","0.0626","","","","","","1.05","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032274","8.3516","0.0003","8.3516","0.0003","23.0965","0.001","90","","90","","120","","1395.13","0.09","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H16 Br N O3 -","- C6 H16 Br N O3 -","- C36 H96 Br6 N6 O18 -","6","0.333333","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0302","0.0256","","","0.0579","0.0599","","","","","","1.076","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4032275","8.5128","0.0002","9.5968","0.0003","11.2892","0.0003","87.5281","0.0011","78.3064","0.0012","67.9774","0.0012","836.69","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O S -","- C22 H16 O S -","- C44 H32 O2 S2 -","2","1","","Muthupandi, Pandi; Sundaravelu, Nallappan; Sekar, Govindasamy","Domino Synthesis of Thiochromenes through Cu-Catalyzed Incorporation of Sulfur Using Xanthate Surrogate.","The Journal of organic chemistry","2017","82","4","1936","1942","10.1021/acs.joc.6b02740","","","0.71073","MoKα","","0.036","0.0319","","","0.0771","0.0807","","","","","","1.047","","","","has coordinates","193261","2020-10-21","18:00:00",""
"4032276","7.4752","0.0008","23.748","0.003","8.0038","0.001","90","","91.153","0.003","90","","1420.6","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0671","0.0464","","","0.1049","0.1162","","","","","","0.965","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032277","9.4042","0.0018","11.0208","0.0019","12.718","0.002","90","","90","","90","","1318.1","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0974","0.0656","","","0.1677","0.1743","","","","","","1.436","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032278","7.4955","0.0004","9.7437","0.0006","19.7175","0.0011","90","","90","","90","","1440.05","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O5 -","- C15 H21 O5 -","- C60 H84 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0417","0.0357","","","0.1009","0.1129","","","","","","1.117","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032279","11.195","0.002","12.865","0.003","15.664","0.003","102.232","0.004","93.783","0.005","110.067","0.004","2047.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","2","","Chen, Junjie; Han, Xiuling; Lu, Xiyan","Atom-Economic Synthesis of Pentaleno[2,1-b]indoles via Tandem Cyclization of Alkynones Initiated by Aminopalladation.","The Journal of organic chemistry","2017","82","4","1977","1985","10.1021/acs.joc.6b02817","","","0.71073","MoKα","","0.1259","0.0663","","","0.1587","0.1915","","","","","","0.989","","","","has coordinates","193263","2020-10-21","18:00:00",""
"4032280","8.642","","11.567","","11.642","","101.14","","95.54","","95.45","","1128.78","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 O2 S Se -","- C22 H20 O2 S Se -","- C44 H40 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.1584","0.0938","","","0.2778","0.3363","","","","","","1.073","","","","has coordinates","193264","2020-10-21","18:00:00",""
"4032281","7.8935","0.0007","10.8422","0.001","17.1058","0.0014","101.808","0.007","95.419","0.007","101.351","0.008","1391","0.2","213.5","0.1","213.5","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H30 N2 O -","- C37 H30 N2 O -","- C74 H60 N4 O2 -","2","1","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.082","0.0501","","","0.1018","0.1205","","","","","","1.036","","","","has coordinates","193265","2020-10-21","18:00:00",""
"4032282","11.1928","0.0003","5.2635","0.0001","15.5946","0.0004","90","","109.195","0.001","90","","867.65","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C38 H32 N4 O8 S2 -","2","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.036","0.0327","","","0.0861","0.0953","","","","","","0.329","","","","has coordinates","193266","2020-10-21","18:00:00",""
"4032283","10.112","0.005","10.996","0.006","15.378","0.008","90","","90","","90","","1709.9","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.103","0.0561","","","0.099","0.1175","","","","","","1.011","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032284","9.3489","0.0005","15.6494","0.0009","18.4534","0.001","90","","102.884","0.002","90","","2631.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","16061201","","","- C29 H34 O4 S -","- C29 H34 O4 S -","- C116 H136 O16 S4 -","4","2","","Li, Zhen; Chen, Quan; Mayer, Peter; Mayr, Herbert","Nucleophilicity Parameters of Arylsulfonyl-Substituted Halomethyl Anions.","The Journal of organic chemistry","2017","82","4","2011","2017","10.1021/acs.joc.6b02844","","","0.71073","MoKα","","0.046","0.0419","","","0.1028","0.105","","","","","","1.083","","","","has coordinates","193268","2020-10-21","18:00:00",""
"4032285","9.9103","0.0003","11.3423","0.0003","19.3768","0.0005","90","","95.331","0.001","90","","2168.64","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl I N2 O2 -","- C24 H20 Cl I N2 O2 -","- C96 H80 Cl4 I4 N8 O8 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0428","0.0312","","","0.0817","0.0907","","","","","","1.032","","","","has coordinates","193269","2020-10-21","18:00:00",""
"4032286","9.7532","0.0003","15.3749","0.0003","12.3002","0.0003","90","","96.085","0.001","90","","1834.08","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0799","0.0425","","","0.0899","0.1038","","","","","","1.016","","","","has coordinates","193270","2020-10-21","18:00:00",""
"4032287","7.1333","0.0003","20.0738","0.001","11.9472","0.0006","90","","97.605","0.002","90","","1695.7","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C68 H76 Br4 O20 -","4","1","","Griswold, Jessica A.; Horwitz, Matthew A.; Leiva, Leslie V.; Johnson, Jeffrey S.","Diastereoselective Organocatalytic Addition of α-Angelica Lactone to β-Halo-α-ketoesters.","The Journal of organic chemistry","2017","82","4","2276","2280","10.1021/acs.joc.6b03059","","","1.54178","CuKα","","0.0392","0.0361","","","0.0886","0.0912","","","","","","1.075","","","","has coordinates","193271","2020-10-21","18:00:00",""
"4032288","6.6795","0.0003","9.4844","0.0004","9.9184","0.0004","67.948","0.002","88.957","0.002","70.779","0.002","545.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 I N2 S -","- C9 H11 I N2 S -","- C18 H22 I2 N4 S2 -","2","1","","Hasty, Scott J.; Bandara, Mithila D.; Rath, Nigam P.; Demchenko, Alexei V.","S-Benzimidazolyl (SBiz) Imidates as a Platform for Oligosaccharide Synthesis via Active-Latent, Armed-Disarmed, Selective, and Orthogonal Activations.","The Journal of organic chemistry","2017","82","4","1904","1911","10.1021/acs.joc.6b02478","","","0.71073","MoKα","","0.0323","0.0237","","","0.0522","0.0541","","","","","","1.019","","","","has coordinates,has disorder","193272","2020-10-21","18:00:00",""
"4032289","9.355","0.003","10.436","0.003","12.314","0.004","90","","102.117","0.017","90","","1175.4","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0519","0.0405","","","0.1052","0.1148","","","","","","1.023","","","","has coordinates","193273","2020-10-21","18:00:00",""
"4032290","7.5539","0.0006","9.4012","0.0008","13.3713","0.0011","86.824","0.002","88.522","0.001","85.809","0.002","945.35","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Br2 O2 -","- C22 H14 Br2 O2 -","- C44 H28 Br4 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0673","0.0542","","","0.1521","0.1625","","","","","","1.034","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032291","9.5245","0.0005","9.7842","0.0005","10.2374","0.0005","113.522","0.0014","102.024","0.0015","94.4772","0.0016","841.62","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0797","0.0471","","","0.0927","0.1073","","","","","","1.021","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032292","11.2972","0.0006","12.0856","0.0006","15.726","0.0008","105.336","0.0014","94.3058","0.0015","105.11","0.0014","1975.03","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cl2 I4 O2 -","- C41 H32 Cl2 I4 O2 -","- C82 H64 Cl4 I8 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0614","0.0504","","","0.142","0.1513","","","","","","1.035","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032293","8.4681","0.0006","13.0884","0.0009","14.0333","0.0009","84.5629","0.0019","78.6719","0.0019","77.9988","0.0018","1489.37","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H64 Cl4 O4 -","- C80 H60 O4 -","- C80 H60 O4 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.1457","0.0981","","","0.2133","0.2421","","","","","","1.058","","","","has coordinates,has disorder","193274","2020-10-21","18:00:00",""
"4032294","5.3006","0.0011","9.2682","0.0019","14.148","0.003","100.2","0.03","100.72","0.03","103.43","0.03","646.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","1","0.5","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1104","0.0523","","","0.1437","0.1897","","","","","","0.955","","","","has coordinates","193275","2020-10-21","18:00:00",""
"4032295","5.5636","0.0011","19.244","0.004","10.159","0.002","90","","98.33","0.03","90","","1076.2","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.132","0.085","","","0.2114","0.2392","","","","","","1.039","","","","has coordinates,has disorder","193276","2020-10-21","18:00:00",""
"4032296","6.56","0.0013","9.41","0.0019","11.8","0.002","82.35","0.03","89.37","0.03","74.32","0.03","694.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.0634","0.0468","","","0.1556","0.2034","","","","","","1.236","","","","has coordinates","193277","2020-10-21","18:00:00",""
"4032297","6.1414","0.0012","10.463","0.002","12.483","0.003","110.06","0.03","102.97","0.03","92.87","0.03","727.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O2 -","- C14 H22 N2 O2 -","- C28 H44 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1625","0.0822","","","0.2384","0.3025","","","","","","1.041","","","","has coordinates","193278","2020-10-21","18:00:00",""
"4032298","11.0652","0.0006","20.5129","0.001","18.3751","0.0009","90","","95.359","0.002","90","","4152.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C176 H164 Ag8 Cl4 N16 O20 P8 -","2","0.5","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0314","0.0243","","","0.0522","0.0547","","","","","","1.116","","","","has coordinates,has disorder","193279","2020-10-21","18:00:00",""
"4032299","7.4415","0.0004","19.8456","0.001","12.5838","0.0007","90","","106.703","0.006","90","","1779.98","0.17","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","0.71073","MoKα","","0.0974","0.0669","","","0.1565","0.1796","","","","","","1.064","","","","has coordinates,has disorder","193280","2020-10-21","18:00:00",""
"4032300","9.191","0.005","12.87","0.007","15.671","0.008","90","","97.977","0.006","90","","1835.8","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","","0.71073","MoKα","","0.0622","0.0503","","","0.1553","0.167","","","","","","1.015","","","","has coordinates","193282","2020-10-21","18:00:00",""
"4032301","11.779","0.002","8.8723","0.0018","11.827","0.002","90","","109.89","0.004","90","","1162.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","1","","Sharma, Poonam; Rohilla, Sandeep; Jain, Nidhi","Palladium Catalyzed Carbonylative Coupling for Synthesis of Arylketones and Arylesters Using Chloroform as the Carbon Monoxide Source.","The Journal of organic chemistry","2017","82","2","1105","1113","10.1021/acs.joc.6b02711","","","0.71073","MoKα","","0.1054","0.0552","","","0.1759","0.229","","","","","","0.752","","","","has coordinates","193283","2020-10-21","18:00:00",""
"4032302","11.7029","0.0006","8.0441","0.0004","20.2235","0.001","90","","93.371","0.003","90","","1900.53","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C104 H68 N4 O8 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1205","0.0447","","","0.0928","0.1166","","","","","","0.968","","","","has coordinates","193284","2020-10-21","18:00:00",""
"4032303","8.5039","0.0001","10.892","0.0002","12.5327","0.0002","74.116","0.001","87.385","0.001","86.061","0.001","1113.44","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl0 N O5 -","- C25 H22 Cl N O5 -","- C50 H44 Cl2 N2 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1175","0.0941","","","0.2681","0.2912","","","","","","1.075","","","","has coordinates","193285","2020-10-21","18:00:00",""
"4032304","19.5111","0.0009","10.0621","0.0005","20.2837","0.001","90","","90","","90","","3982.1","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Benzyl-3-(difluoronitromethyl)-2-oxoindolin-3-yl benzoate","","- C23 H16 F2 N2 O5 -","- C23 H16 F2 N2 O5 -","- C184 H128 F16 N16 O40 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0841","0.0872","","","","","","1.016","","","","has coordinates","193286","2020-10-21","18:00:00",""
"4032305","17.187","0.002","15.4893","0.0019","15.3026","0.0018","90","","109.844","0.002","90","","3831.9","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-N-Benzyl-3-(fluoro(hydroxyimino)methyl)-2-oxoindolin-3-yl benzoate","","- C23 H17 F N2 O4 -","- C23 H17 F N2 O4 -","- C184 H136 F8 N16 O32 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0565","0.0457","","","0.1136","0.1185","","","","","","1.028","","","","has coordinates","193287","2020-10-21","18:00:00",""
"4032306","14.3865","0.0003","11.7129","0.0002","24.5179","0.0005","90","","97.8354","0.0007","90","","4092.88","0.14","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 O -","- C61 H44 O -","- C244 H176 O4 -","4","1","","Murayama, Koichi; Shibata, Yu; Sugiyama, Haruki; Uekusa, Hidehiro; Tanaka, Ken","Synthesis, Structure, and Photophysical/Chiroptical Properties of Benzopicene-Based π-Conjugated Molecules.","The Journal of organic chemistry","2017","82","2","1136","1144","10.1021/acs.joc.6b02757","","","1.54186","CuKα","","0.0516","0.0427","","","0.112","0.1221","","","","","","1.105","","","","has coordinates","193288","2020-10-21","18:00:00",""
"4032307","23.4927","0.0017","23.4927","0.0017","9.703","0.0009","90","","90","","90","","5355.2","0.7","113","2","113","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33 H31 F N2 O2 S -","- C33 H31 F N2 O2 S -","- C264 H248 F8 N16 O16 S8 -","8","1","","Liu, Qiangqiang; Wang, Chan; Li, Qiang; Hou, Yajie; Wu, Ye; Liu, Lingyan; Chang, Weixing; Li, Jing","Povarov Reaction of Cycloiminium Formed in Situ via Hydroamination Cycloisomerization of Homopropargylic Amines with Electron-Rich Olefins.","The Journal of organic chemistry","2017","82","2","950","958","10.1021/acs.joc.6b02496","","","0.71073","MoKα","","0.0284","0.0262","","","0.0707","0.072","","","","","","1.037","","","","has coordinates","193289","2020-10-21","18:00:00",""
"4032308","5.6268","0.0011","17.614","0.003","9.1708","0.0017","90","","105.33","0.002","90","","876.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","cs35pt","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Sousa, Cristina E. A.; Ribeiro, António M P; Gil Fortes, António; Cerqueira, Nuno M. F. S. A.; Alves, Maria J.","Total Facial Discrimination of 1,3-Dipolar Cycloadditions in a d-Erythrose 1,3-Dioxane Template: Computational Studies of a Concerted Mechanism.","The Journal of organic chemistry","2017","82","2","982","991","10.1021/acs.joc.6b02518","","x-ray","0.71073","MoKα","","0.039","0.0324","","","0.0749","0.0785","","","","","","1.064","","","","has coordinates","193290","2020-10-21","18:00:00",""
"4032309","10.6615","0.0008","11.4317","0.0009","17.7583","0.0014","90","","101.559","0.001","90","","2120.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 I -","- C28 H19 I -","- C112 H76 I4 -","4","1","","García-García, Patricia; Sanjuán, Ana M; Rashid, Muhammad A.; Martínez-Cuezva, Alberto; Fernández-Rodríguez, Manuel A; Rodríguez, Félix; Sanz, Roberto","Synthesis of Functionalized 1H-Indenes and Benzofulvenes through Iodocyclization of o-(Alkynyl)styrenes.","The Journal of organic chemistry","2017","82","2","1155","1165","10.1021/acs.joc.6b02788","","","0.71073","MoKα","","0.0314","0.0286","","","0.0795","0.0812","","","","","","1.067","","","","has coordinates","193291","2020-10-21","18:00:00",""
"4032310","6.5366","0.0004","9.8897","0.0006","13.2763","0.001","90","","96.641","0.002","90","","852.49","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N5 O4 -","- C17 H14 F N5 O4 -","- C34 H28 F2 N10 O8 -","2","1","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1331","0.0662","","","0.1143","0.1362","","","","","","1.008","","","","has coordinates","193292","2020-10-21","18:00:00",""
"4032311","13.5743","0.0005","7.6627","0.0004","18.0825","0.0011","90","","107.822","0.0017","90","","1790.61","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N5 O4 -","- C17 H14 Br N5 O4 -","- C68 H56 Br4 N20 O16 -","4","2","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1263","0.0797","","","0.1501","0.1697","","","","","","1.096","","","","has coordinates","193293","2020-10-21","18:00:00",""
"4032312","8.83606","0.00017","16.4052","0.0004","18.6621","0.0004","90","","98.1201","0.0007","90","","2678.09","0.1","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H70 Cl2 N4 Ni2 -","- C63 H70 Cl2 N4 Ni2 -","- C126 H140 Cl4 N8 Ni4 -","2","0.5","","Ando, Shin; Matsunaga, Hirofumi; Ishizuka, Tadao","An N-Heterocyclic Carbene-Nickel Half-Sandwich Complex as a Precatalyst for Suzuki-Miyaura Coupling of Aryl/Heteroaryl Halides with Aryl/Heteroarylboronic Acids.","The Journal of organic chemistry","2017","82","2","1266","1272","10.1021/acs.joc.6b02666","","","0.71075","MoKα","","0.0325","0.0303","","","0.0778","0.0795","","","","","","1.049","","","","has coordinates,has disorder","193294","2020-10-21","18:00:00",""
"4032313","6.0244","0.0004","16.4432","0.001","20.5214","0.0013","90","","90","","90","","2032.9","0.2","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O5 -","- C19 H30 N2 O5 -","- C76 H120 N8 O20 -","4","1","","Kang, Chang Won; Sarnowski, Matthew P.; Elbatrawi, Yassin M.; Del Valle, Juan R.","Access to Enantiopure α-Hydrazino Acids for N-Amino Peptide Synthesis.","The Journal of organic chemistry","2017","82","3","1833","1841","10.1021/acs.joc.6b02718","","","1.54178","CuKα","","0.1085","0.0704","","","0.1644","0.1892","","","","","","1.046","","","","has coordinates","193295","2020-10-21","18:00:00",""
"4032314","10.648","0.003","11.0701","0.0017","11.8977","0.0018","116.548","0.002","101.481","0.003","102.641","0.003","1151.2","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C62 H46 N2 O4 -","2","1","","Han, Ya-Ping; Li, Xue-Song; Zhu, Xin-Yu; Li, Ming; Zhou, Li; Song, Xian-Rong; Liang, Yong-Min","Lewis Acid Catalyzed Dehydrogenative Coupling of Tertiary Propargylic Alcohols with Quinoline N-Oxides.","The Journal of organic chemistry","2017","82","3","1697","1704","10.1021/acs.joc.6b02882","","","0.71073","MoKα","","0.0839","0.0482","","","0.1196","0.1534","","","","","","1.038","","","","has coordinates","193296","2020-10-21","18:00:00",""
"4032315","16.3051","0.0007","6.5192","0.0003","15.4278","0.0006","90","","97.909","0.001","90","","1624.32","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N O9 -","- C14 H18 N O9 -","- C56 H72 N4 O36 -","4","0.5","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.41328","synchrotron","","0.0645","0.0494","","","0.1273","0.1513","","","","","","1.23","","","","has coordinates","193297","2020-10-21","18:00:00",""
"4032316","8.6695","0.0016","10.986","0.002","13.159","0.003","81.424","0.004","76.719","0.004","69.087","0.004","1136.3","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 S -","- C29 H30 N2 S -","- C58 H60 N4 S2 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Nelyubina, Yulia V.; Metelitsa, Anatoly V.; Shirinian, Valerii Z.","Structural and Spectral Properties of Photochromic Diarylethenes: Size Effect of the Ethene Bridge.","The Journal of organic chemistry","2017","82","3","1477","1486","10.1021/acs.joc.6b02665","","","0.71073","MoKα","","0.0757","0.0597","","","0.136","0.1433","","","","","","1.074","","","","has coordinates,has disorder","193298","2020-10-21","18:00:00",""
"4032317","5.3972","0.0004","9.9775","0.0007","14.1887","0.001","97.739","0.007","93.504","0.007","99.049","0.007","745.04","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br Cl F4 -","- C32 H20 Br2 Cl2 F8 -","- C32 H20 Br2 Cl2 F8 -","1","0.5","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71075","MoKα","","0.034","0.0292","","","0.0673","0.0697","","","","","","1.06","","","","has coordinates","193299","2020-10-21","18:00:00",""
"4032318","5.744","0.0002","9.868","0.0002","26.1249","0.0006","89.552","0.002","84.71","0.002","76.664","0.002","1434.6","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Br F4 -","- C16 H11 Br F4 -","- C64 H44 Br4 F16 -","4","2","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71073","MoKα","","0.0421","0.0302","","","0.0652","0.0711","","","","","","1.011","","","","has coordinates","193300","2020-10-21","18:00:00",""
"4032319","8.7897","0.0001","12.307","0.0002","26.0231","0.0003","90","","93.932","0.001","90","","2808.42","0.06","288","2","288","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","2","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0432","0.0402","","","0.1223","0.1269","","","","","","1.031","","","","has coordinates","193301","2020-10-21","18:00:00",""
"4032320","9.111","0.0001","9.8829","0.0001","14.9752","0.0002","90","","100.127","0.001","90","","1327.41","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0358","0.0355","","","0.1036","0.104","","","","","","1.06","","","","has coordinates","193302","2020-10-21","18:00:00",""
"4032321","5.9648","0.0003","34.2029","0.0015","10.1737","0.0006","90","","91.052","0.005","90","","2075.22","0.18","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.069","0.06","","","0.1579","0.1676","","","","","","1.087","","","","has coordinates","193303","2020-10-21","18:00:00",""
"4032322","30.257","0.002","6.1188","0.0004","18.0108","0.0013","90","","90","","90","","3334.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C168 H120 N48 -","12","3","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.269","0.2165","","","0.4274","0.4573","","","","","","1.067","","","","has coordinates","193304","2020-10-21","18:00:00",""
"4032323","5.8539","0.0006","27.248","0.002","15.506","0.003","90","","100.049","0.013","90","","2435.4","0.6","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C112 H96 N32 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.1194","0.0709","","","0.1698","0.1983","","","","","","1.022","","","","has coordinates,has disorder","193305","2020-10-21","18:00:00",""
"4032324","13.9167","0.0003","14.5107","0.0003","6.79621","0.00018","90","","90","","90","","1372.43","0.05","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0431","0.0402","","","0.1131","0.1161","","","","","","1.039","","","","has coordinates","193306","2020-10-21","18:00:00",""
"4032325","11.9213","0.0006","4.6621","0.0002","15.1386","0.0007","90","","104.387","0.005","90","","814.99","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0572","0.0492","","","0.1256","0.131","","","","","","1.077","","","","has coordinates","193307","2020-10-21","18:00:00",""
"4032326","6.3297","0.0013","19.665","0.004","22.568","0.005","90","","90","","90","","2809.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","","Chang, Lina; Guo, Tao; Wang, Ziyi; Wang, Shaozhong; Yao, Zhu-Jun","Azepinoindole Synthesis via a N-Bromosuccinimide-Induced Cycloisomerization of Enaminoester/Enaminone.","The Journal of organic chemistry","2017","82","3","1567","1574","10.1021/acs.joc.6b02760","","","0.71073","MoKα","","0.1858","0.0759","","","0.1076","0.1344","","","","","","1","","","","has coordinates","193308","2020-10-21","18:00:00",""
"4032327","9.246","0.003","16.491","0.008","10.257","0.003","90","","110.25","0.03","90","","1467.3","1","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1464","0.0755","","","0.1492","0.1816","","","","","","1.02","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032328","11.512","0.004","9.57","0.003","9.098","0.003","90","","112.68","0.03","90","","924.8","0.6","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1162","0.0688","","","0.1635","0.1901","","","","","","1.021","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032329","5.748","0.002","9.359","0.003","14.383","0.005","83.71","0.03","79.77","0.03","74.56","0.03","732.4","0.4","80","","80","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1082","0.0557","","","0.0909","0.109","","","","","","1.02","","","","has coordinates,has disorder","193309","2020-10-21","18:00:00",""
"4032330","8.074","0.002","8.623","0.002","22.992","0.006","90","","99.38","0.03","90","","1579.3","0.7","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.0736","0.0483","","","0.0978","0.1136","","","","","","1.015","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032331","6.0498","0.0017","8.2177","0.0019","16.171","0.005","88.79","0.05","82.33","0.05","81.94","0.05","788.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1665","0.0816","","","0.0858","0.1107","","","","","","1.006","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032332","6.096","0.002","7.633","0.002","27.289","0.008","90","","91.67","0.03","90","","1269.2","0.7","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C60 H56 N8 S4 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1017","0.0764","","","0.1261","0.1378","","","","","","1.154","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032333","9.0314","0.0006","9.1791","0.0007","10.927","0.0006","71.905","0.006","71.569","0.006","61.983","0.007","744.33","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Zhang, Huaiyuan; Huang, Danfeng; Wang, Ke-Hu; Li, Jun; Su, Yingpeng; Hu, Yulai","Synthesis of Benzimidazolones via One-Pot Reaction of Hydroxylamines, Aldehydes, and Trimethylsilyl Cyanide Promoted by Diacetoxyiodobenzene.","The Journal of organic chemistry","2017","82","3","1600","1609","10.1021/acs.joc.6b02781","","x-ray","0.71073","MoKα","","0.0877","0.0562","","","0.1325","0.1546","","","","","","1.104","","","","has coordinates","193310","2020-10-21","18:00:00",""
"4032334","6.2961","0.0001","8.1075","0.0001","10.7109","0.0002","82.602","0.001","83.304","0.001","81.408","0.001","533.459","0.015","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C23 H34 O4 -","1","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0513","0.0458","","","0.1304","0.1435","","","","","","1.133","","","","has coordinates","193311","2020-10-21","18:00:00",""
"4032335","8.3667","0.0002","5.5161","0.0002","15.6625","0.0004","90","","102.589","0.001","90","","705.47","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0366","0.0357","","","0.1033","0.1048","","","","","","1.115","","","","has coordinates","193312","2020-10-21","18:00:00",""
"4032336","7.4341","0.0001","14.7479","0.0002","13.3819","0.0001","90","","91.31","","90","","1466.77","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","2","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0338","0.0331","","","0.0847","0.0901","","","","","","1.095","","","","has coordinates","193313","2020-10-21","18:00:00",""
"4032337","5.84776","0.00016","9.0048","0.0002","24.9796","0.0005","90","","92.069","0.002","90","","1314.52","0.05","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0585","0.0547","","","0.1513","0.1568","","","","","","1.05","","","","has coordinates","193314","2020-10-21","18:00:00",""
"4032338","10.1471","0.0003","13.2702","0.0003","14.9401","0.0004","90","","106.293","0.003","90","","1930.95","0.09","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0651","0.0578","","","0.1641","0.1741","","","","","","1.037","","","","has coordinates","193315","2020-10-21","18:00:00",""
"4032339","5.82677","0.00011","9.95071","0.00018","13.6194","0.0003","90","","101.711","0.0018","90","","773.22","0.03","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N0.5 O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Yong; Wang, Qiuyan; Wang, Ting; He, Huan; Yang, Wenqiang; Zhang, Xinhao; Cai, Qian","Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C-O Coupling Reactions via Asymmetric Desymmetrization.","The Journal of organic chemistry","2017","82","3","1458","1463","10.1021/acs.joc.6b02646","","x-ray","1.54184","CuKα","","0.0308","0.0302","","","0.0782","0.0796","","","","","","1.101","","","","has coordinates","193316","2020-10-21","18:00:00",""
"4032340","7.598","0.005","12.832","0.009","13.345","0.009","74.526","0.007","76.45","0.007","82.005","0.007","1215","1.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","2","","Kim, Ji Eun; Lee, Jinsub; Yun, Hyunsik; Baek, Yonghyeon; Lee, Phil Ho","Rhodium-Catalyzed Intramolecular Transannulation Reaction of Alkynyl Thiadiazole Enabled 5,n-Fused Thiophenes.","The Journal of organic chemistry","2017","82","3","1437","1447","10.1021/acs.joc.6b02614","","","0.71073","","","0.0757","0.0429","","","0.0906","0.1018","","","","","","1.033","","","","has coordinates","193317","2020-10-21","18:00:00",""
"4032341","9.7527","0.0006","8.3311","0.0006","24.3083","0.0018","90","","100.212","0.006","90","","1943.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl N3 O2 S -","- C22 H18 Cl N3 O2 S -","- C88 H72 Cl4 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.0679","0.0496","","","0.1295","0.138","","","","","","1.081","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032342","13.4172","0.0013","6.0529","0.0004","28.871","0.002","90","","117.325","0.006","90","","2083.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O2 S -","- C22 H27 N3 O2 S -","- C88 H108 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.1077","0.0445","","","0.0852","0.0953","","","","","","0.8","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032343","5.76624","0.00017","11.7165","0.0003","19.6213","0.0006","90","","90","","90","","1325.62","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","","Liu, Yueyang; Zhang, Zhiguo; Wan, Yameng; Zhang, Guisheng; Li, Zhonglian; Bi, Jingjing; Ma, Nana; Liu, Tong-Xin; Liu, Qingfeng","Oxidation of β-Ketoamides: The Synthesis of Vicinal Tricarbonyl Amides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03062","","","1.54184","CuKα","","0.0492","0.0417","","","0.0908","0.0978","","","","","","1.059","","","","has coordinates","194056","2020-10-21","18:00:00",""
"4032344","11.21961","0.00004","11.09937","0.00005","18.19019","0.00007","90","","104.933","0.0004","90","","2188.73","0.016","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Zhao, Yichao; Jin, Jianwen; Boyle, Joshua William; Lee, Bo Ra; Day, David Philip; Susanti, Dewi; Clarkson, Guy James; Chan, Philip Wai Hong","Silver-Catalyzed 1,3-Acyloxy Migration/Diels-Alder Reaction of 1,9-Dien-4-yne Esters to Partially Hydrogenated Isoquinolines.","The Journal of organic chemistry","2017","82","6","2826","2834","10.1021/acs.joc.7b00048","","x-ray","1.54184","CuKα","","0.0405","0.0403","","","0.1104","0.1106","","","","","","1.04","","","","has coordinates","194852","2020-10-21","18:00:00",""
"4032345","21.016","0.004","5.9939","0.0011","30.001","0.006","90","","99.403","0.004","90","","3728.4","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C200 H176 O24 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0764","0.0464","","","0.1","0.1131","","","","","","1.023","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032346","25.5837","0.0007","17.5631","0.0005","18.0778","0.0005","90","","95.177","0.001","90","","8089.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C448 H416 O32 -","16","4","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.08","0.0507","","","0.1437","0.1703","","","","","","1.028","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032347","7.7664","0.0008","8.1366","0.0009","34.746","0.004","90","","90","","90","","2195.7","0.4","99","2","99","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0827","0.0493","","","0.0906","0.1015","","","","","","1.029","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032348","16.4015","0.0013","10.9309","0.001","25.431","0.002","90","","101.801","0.003","90","","4463","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 O2 -","- C31 H26 O2 -","- C248 H208 O16 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0445","0.0389","","","0.1009","0.1048","","","","","","1.046","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032349","17.9825","0.0012","7.8621","0.0005","31.386","0.002","90","","99.609","0.002","90","","4375.1","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C232 H192 O24 -","8","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0581","0.0457","","","0.0964","0.1038","","","","","","0.999","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032350","20.392","0.002","10.2856","0.001","9.7344","0.0015","90","","90","","90","","2041.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Nath, Utpal; Pan, Subhas Chandra","Organocatalytic Asymmetric Tamura Cycloaddition with α- Branched Nitroolefins: Synthesis of Functionalized 1-Tetralones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03020","","","0.71073","MoKα","","0.1372","0.0921","","","0.1632","0.1863","","","","","","1.093","","","","has coordinates","194063","2020-10-21","18:00:00",""
"4032351","9.7078","0.0005","9.0603","0.0004","24.536","0.003","90","","92.431","0.007","90","","2156.1","0.3","110.5","0.3","110.5","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Fe2 O4 P -","- C26 H23 Fe2 O4 P -","- C104 H92 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0436","0.0346","","","0.073","0.0765","","","","","","1.046","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032352","15.6912","0.0009","10.1639","0.0004","17.1179","0.0009","90","","117.157","0.007","90","","2429.1","0.3","110.6","0.2","110.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Fe2 O4 P -","- C30 H25 Fe2 O4 P -","- C120 H100 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0762","0.0675","","","0.1637","0.1719","","","","","","1.034","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032353","8.0069","0.0005","11.3428","0.0011","15.2484","0.0014","88.134","0.008","76.822","0.007","78.953","0.006","1323.3","0.2","112.4","0.5","112.4","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Fe3 O4 P -","- C31 H29 Fe3 O4 P -","- C62 H58 Fe6 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0653","0.0409","","","0.0772","0.0812","","","","","","0.845","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032354","13.5139","0.0006","16.1835","0.001","7.1844","0.0004","90","","90","","90","","1571.24","0.15","120","0.1","120","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H15 O4 P -","- C18 H15 O4 P -","- C72 H60 O16 P4 -","4","0.5","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0646","0.0465","","","0.1099","0.1206","","","","","","1.054","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032355","13.4841","0.0007","7.2373","0.0004","23.0311","0.0014","90","","106.7","0.006","90","","2152.8","0.2","110.6","0.2","110.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Fe2 O4 P -","- C26 H23 Fe2 O4 P -","- C104 H92 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0827","0.0516","","","0.1036","0.1137","","","","","","1.015","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032356","9.1403","0.0004","7.669","0.0005","28.9649","0.0016","90","","91.773","0.004","90","","2029.38","0.19","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Fe O4 P -","- C24 H23 Fe O4 P -","- C96 H92 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0484","0.0373","","","0.0825","0.0887","","","","","","1.022","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032357","7.3299","0.0004","12.7651","0.0008","15.0173","0.0008","111.569","0.005","97.97","0.004","94.641","0.004","1280.77","0.14","114","3","114","3","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Fe2 O4 P -","- C31 H27 Fe2 O4 P -","- C62 H54 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1718","0.1138","","","0.327","0.35","","","","","","1.139","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032358","11.1871","0.0006","11.4582","0.0008","12.6451","0.0009","67.616","0.007","83.493","0.005","62.541","0.006","1326.08","0.18","115","8","115","8","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Fe2 O4 P -","- C32 H29 Fe2 O4 P -","- C64 H58 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0648","0.0461","","","0.1101","0.1169","","","","","","1.032","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032359","37.5107","0.0016","29.4085","0.0015","6.2109","0.0004","90","","90","","90","","6851.5","0.6","120","0.1","120","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 Fe2 O4 P -","- C20 H17 Fe2 O4 P -","- C320 H272 Fe32 O64 P16 -","16","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.04","0.0316","","","0.0616","0.064","","","","","","1.039","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032360","10.4155","0.0003","11.6395","0.0004","23.3299","0.0012","90","","90","","90","","2828.31","0.19","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Cl3 Fe O4 P -","- C32 H24 Cl3 Fe O4 P -","- C128 H96 Cl12 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0528","0.0433","","","0.092","0.0965","","","","","","1.024","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032361","11.8102","0.0002","10.9946","0.0002","16.4247","0.0003","90","","108.344","0.002","90","","2024.35","0.07","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Fe O4 P -","- C22 H29 Fe O4 P -","- C88 H116 Fe4 O16 P4 -","4","2","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0344","0.0322","","","0.0847","0.0863","","","","","","1.032","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032362","6.2344","0.0004","7.6337","0.0006","13.7942","0.0009","95.156","0.006","91.298","0.005","97.059","0.006","648.5","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Fe3 O8 P2 -","- C30 H24 Fe3 O8 P2 -","- C30 H24 Fe3 O8 P2 -","1","0.5","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.038","0.0339","","","0.0873","0.0896","","","","","","1.07","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032363","11.8453","0.001","11.2052","0.001","21.084","0.0015","90","","90","","90","","2798.5","0.4","107.35","0.1","107.35","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H19 B Fe N O2 P -","- C13 H19 B Fe N O2 P -","- C104 H152 B8 Fe8 N8 O16 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0699","0.0559","","","0.1429","0.1488","","","","","","1.085","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032364","51.506","0.002","7.4283","0.0003","11.2434","0.0005","90","","90.38","0.004","90","","4301.7","0.3","110","0.1","110","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Fe2 N O3 P -","- C24 H28 Fe2 N O3 P -","- C192 H224 Fe16 N8 O24 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0456","0.042","","","0.1043","0.1063","","","","","","1.096","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032365","14.7934","0.0009","10.0854","0.0005","16.8952","0.0011","90","","112.527","0.007","90","","2328.4","0.3","115","0.1","115","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe2 N O3 P -","- C28 H24 Fe2 N O3 P -","- C112 H96 Fe8 N4 O12 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0773","0.0483","","","0.0967","0.1058","","","","","","1.026","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032366","10.113","0.005","10.722","0.005","13.199","0.005","106.582","0.005","110.145","0.005","90.019","0.005","1280","1","114","3","114","3","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Fe2 N O3 P -","- C32 H26 Fe2 N O3 P -","- C64 H52 Fe4 N2 O6 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1001","0.0806","","","0.2336","0.2431","","","","","","1.029","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032367","10.3336","0.0007","12.6046","0.001","13.4915","0.0018","117.494","0.01","95.558","0.008","96.286","0.006","1527.6","0.3","112.8","0.6","112.8","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C33.9 H29.8 Cl1.8 Fe2 N O3 P -","- C33.9 H29.8 Cl1.8 Fe2 N O3 P -","- C67.8 H59.6 Cl3.6 Fe4 N2 O6 P2 -","2","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0954","0.0777","","","0.2109","0.2253","","","","","","1.053","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032368","51.278","0.008","7.6986","0.0008","10.4339","0.0012","90","","93.689","0.011","90","","4110.4","0.9","115.2","1","115.2","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe2 N O3 P -","- C24 H22 Fe2 N O3 P -","- C192 H176 Fe16 N8 O24 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.1382","0.0875","","","0.1851","0.2062","","","","","","1.059","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032369","14.5249","0.0006","10.2459","0.0005","19.6024","0.0008","90","","107.309","0.004","90","","2785.1","0.2","115","0.1","115","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl3 Fe2 N O3 P -","- C29 H25 Cl3 Fe2 N O3 P -","- C116 H100 Cl12 Fe8 N4 O12 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0612","0.0418","","","0.0861","0.0924","","","","","","1.034","","","","has coordinates,has disorder","194064","2020-10-21","18:00:00",""
"4032370","5.9174","0.0014","20.176","0.005","10.449","0.002","90","","104.909","0.003","90","","1205.5","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O3 P -","- C23 H35 N4 O3 P -","- C46 H70 N8 O6 P2 -","2","1","","Qiao, Shuo; Wilcox, Cody B.; Unruh, Daniel K.; Jiang, Bo; Li, Guigen","Asymmetric [3 + 2] Cycloaddition of Chiral N-Phosphonyl Imines with Methyl Isocyanoacetate for Accessing to 2-Imidazolines with Switchable Stereoselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03068","","","0.71073","MoKα","","0.0589","0.0424","","","0.0897","0.0965","","","","","","1.003","","","","has coordinates","194103","2020-10-21","18:00:00",""
"4032371","7.925","0.0001","16.3937","0.0002","20.889","0.0004","90","","90","","90","","2713.9","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C120 H184 O28 -","4","1","","Mestre, Jordi; Matheu, M. Isabel; Díaz, Yolanda; Castillón, Sergio; Boutureira, Omar","Chemical Access to d-Sarmentose Units Enables the Total Synthesis of Cardenolide Monoglycoside N-1 from Nerium oleander.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00210","","","0.7107","MoKα","","0.0384","0.0341","","","0.0869","0.0888","","","","","","1.043","","","","has coordinates","194104","2020-10-21","18:00:00",""
"4032372","5.1053","0.0003","18.1238","0.0012","12.8535","0.0007","90","","93.383","0.006","90","","1187.23","0.12","292.96","0.15","292.96","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-11H-indolo[3,2-c]quinoline","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0527","0.046","","","0.1238","0.1334","","","","","","1.089","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032373","20.00573","0.00015","20.00573","0.00015","13.20742","0.00018","90","","90","","90","","5286","0.09","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","2,3-dimethoxy-11H-indolo[3,2-c]quinoline","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.087","0.0878","","","","","","1.062","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032374","8.4252","0.0003","9.1913","0.0004","17.9879","0.0006","90","","90","","90","","1392.96","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0566","0.041","","","0.0881","0.0946","","","","","","1.043","","","","has coordinates","194132","2020-10-21","18:00:00",""
"4032375","8.1197","0.0002","9.1768","0.0003","18.1454","0.0005","90","","90","","90","","1352.07","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0457","0.0363","","","0.0813","0.0851","","","","","","1.097","","","","has coordinates","194133","2020-10-21","18:00:00",""
"4032376","11.1054","0.0005","12.9232","0.0007","14.2178","0.0009","107.242","0.002","100.964","0.001","98.286","0.002","1868.98","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","2","","Xu, Jianfeng; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Miao, Maozhong; Ren, Hongjun","Catalyst-Controlled Chemodivergent Modification of Indoles with 2-Furylcarbinols: Piancatelli Reaction vs Cross-Dehydrative Coupling Reaction.","The Journal of organic chemistry","2017","82","7","3561","3570","10.1021/acs.joc.7b00090","","","0.71073","MoKα","","0.0926","0.0483","","","0.1232","0.1638","","","","","","1.002","","","","has coordinates","196156","2020-10-21","18:00:00",""
"4032377","8.6464","0.0005","5.6834","0.0003","12.7817","0.0007","90","","99.604","0.001","90","","619.3","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C30 H20 F6 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0333","0.0333","","","0.0918","0.0919","","","","","","1.073","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032378","4.2186","0.0009","9.333","0.002","13.852","0.003","90","","93.134","0.004","90","","544.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C28 H20 F2 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0497","0.0346","","","0.0712","0.0769","","","","","","1.059","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032379","8.0964","0.0011","23.977","0.003","7.0192","0.0008","90","","114.33","0.007","90","","1241.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.1464","0.0819","","","0.212","0.2546","","","","","","1.033","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032380","6.0667","0.0005","15.3771","0.0013","13.1958","0.0011","90","","93.36","0.003","90","","1228.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9.43 Cl1.58 N O2 -","- C14 H9.425 Cl1.575 N O2 -","- C56 H37.7 Cl6.3 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0975","0.0622","","","0.1241","0.1343","","","","","","1.189","","","","has coordinates,has disorder","196146","2020-10-21","18:00:00",""
"4032381","14.0387","0.001","5.751","0.0004","16.2336","0.0011","90","","98.473","0.005","90","","1296.34","0.16","90","0.5","90","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C54 H30 B2 Br4 Cl4 F4 N4 O6 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","1.54184","CuKα","","0.1175","0.1002","","","0.2457","0.2689","","","","","","1.1","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032382","10.0033","0.0009","10.2945","0.0009","10.8914","0.001","115.154","0.002","111.867","0.002","93.784","0.002","907.97","0.14","90","0.5","90","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C15 H5 B Br2 Cl4 F2 N2 O -","- C15 H5 B Br2 Cl4 F2 N2 O -","- C30 H10 B2 Br4 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","0.71073","MoKα","","0.0368","0.0277","","","0.0704","0.0746","","","","","","1.033","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032383","11.1478","0.0012","15.0675","0.0013","10.0871","0.0011","90","","109.154","0.003","90","","1600.5","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Rehan, Mohammad; Nallagonda, Rajender; Das, Braja Gopal; Meena, Tannu; Ghorai, Prasanta","Synthesis of Functionalized Benzo[b]furans via Oxidative Cyclization of o-Cinnamyl Phenols.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02752","","","0.71073","MoKα","","0.1056","0.0565","","","0.1421","0.168","","","","","","1.029","","","","has coordinates","194236","2020-10-21","18:00:00",""
"4032384","19.5031","0.0003","16.6971","0.0002","20.1118","0.0003","90","","109.923","0.0018","90","","6157.33","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O6 -","- C36 H32 N2 O6 -","- C288 H256 N16 O48 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1125","0.0855","","","0.2583","0.2693","","","","","","1.147","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032385","15.9993","0.0007","10.8867","0.0005","16.1051","0.0009","90","","114.97","0.006","90","","2543","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O6 -","- C26 H27 Br N2 O6 -","- C104 H108 Br4 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0874","0.0598","","","0.1557","0.1828","","","","","","1.033","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032386","16.7281","0.0004","10.2986","0.00017","16.3055","0.0004","90","","116.342","0.003","90","","2517.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N3 O6 -","- C27 H27 N3 O6 -","- C108 H108 N12 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0723","0.0552","","","0.1552","0.1729","","","","","","1.069","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032387","12.5019","0.0014","21.1909","0.0018","10.0757","0.0015","90","","95.255","0.013","90","","2658.1","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1563","0.1024","","","0.3016","0.3586","","","","","","1.043","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032388","11.2044","0.0007","11.5815","0.0006","12.9947","0.0008","75.244","0.005","88.54","0.005","67.453","0.005","1501.06","0.17","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C68 H64 N8 O8 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1073","0.0883","","","0.2712","0.2972","","","","","","1.099","","","","has coordinates,has disorder","196152","2020-10-21","18:00:00",""
"4032389","19.1282","0.0004","12.24","0.0002","25.3264","0.0005","90","","97.9603","0.0018","90","","5872.5","0.2","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C272 H256 N32 O32 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0556","0.048","","","0.1302","0.1401","","","","","","1.046","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032390","10.7283","0.0003","11.4578","0.0004","14.3942","0.0003","97.385","0.002","97.614","0.002","113.028","0.003","1582.16","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N3 O6 -","- C35 H35 N3 O6 -","- C70 H70 N6 O12 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0637","0.0546","","","0.1443","0.1532","","","","","","1.044","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032391","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@C80-NHC-2a","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4032392","11.028","0.005","17.708","0.005","19.684","0.005","99.143","0.005","106.102","0.005","106.977","0.005","3410","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Lu3N@IhC80 NHC","Lu3N@IhC80 NHC","","- C219 H72 Lu6 N6 O0 S10 -","- C219 H72 Lu5.999 N6 S10 -","- C219 H72 Lu5.999 N6 S10 -","1","0.5","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71069","MoKα","","0.0681","0.0529","","","0.1301","0.1395","","","","","","1.091","","","","has coordinates,has disorder","196155","2020-10-21","18:00:00",""
"4032393","21.533","0.004","30.738","0.006","11.627","0.002","90","","90","","90","","7696","2","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C336 H384 O112 -","16","1","","Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing","Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02921","","","0.71073","MoKα","","0.0487","0.0361","","","0.0798","0.086","","","","","","1.02","","","","has coordinates","194272","2020-10-21","18:00:00",""
"4032394","10.1003","0.0002","22.3395","0.0004","13.9474","0.001","90","","90.142","0.006","90","","3147","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing","Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02921","","","1.54178","CuKα","","0.0851","0.0679","","","0.1871","0.2146","","","","","","1.134","","","","has coordinates","194272","2020-10-21","18:00:00",""
"4032395","8.6678","0.0017","19.551","0.003","9.4202","0.0017","90","","111.01","0.003","90","","1490.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0499","0.0417","","","0.1106","0.1156","","","","","","1.053","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032396","17.481","0.006","7.27","0.002","14.959","0.004","90","","114.17","0.005","90","","1734.4","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0565","0.0416","","","0.1036","0.112","","","","","","1.026","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032397","6.9484","0.0011","9.974","0.0015","11.9674","0.0018","80.017","0.006","86.243","0.008","86.393","0.008","813.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.044","0.0388","","","0.1076","0.1114","","","","","","1.122","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032398","14.243","0.003","8.5982","0.0019","12.723","0.003","90","","105.996","0.003","90","","1497.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl O4 -","- C16 H19 Cl O4 -","- C64 H76 Cl4 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0539","0.0438","","","0.1167","0.1238","","","","","","1.041","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032399","5.212","0.0004","7.438","0.0005","14.3549","0.0009","80.834","0.006","85.227","0.006","74.865","0.006","529.83","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 F2 O3 -","- C12 H12 F2 O3 -","- C24 H24 F4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0625","0.0593","","","0.1636","0.1691","","","","","","1.088","","","","has coordinates,has disorder","196154","2020-10-21","18:00:00",""
"4032400","9.8445","0.0004","6.9522","0.0003","30.4659","0.0012","90","","90","","90","","2085.11","0.15","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0342","0.0331","","","0.0835","0.0844","","","","","","1.065","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032401","7.2069","0.0004","7.742","0.0003","9.5826","0.0004","80.466","0.004","79.403","0.004","77.127","0.004","507.99","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C20 H32 N4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0455","0.0409","","","0.0995","0.1027","","","","","","1.035","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032402","4.5638","0.001","7.0494","0.0016","15.476","0.004","95.825","0.005","95.748","0.005","99.306","0.006","485.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C20 H16 N4 O4 S2 -","2","1","","McCaw, Patrick G.; Buckley, Naomi M.; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","7","3666","3679","10.1021/acs.joc.7b00172","","","0.71073","MoKα","","0.046","0.0386","","","0.1063","0.1131","","","","","","1.043","","","","has coordinates","196149","2020-10-21","18:00:00",""
"4032403","6.1447","0.0009","15.0655","0.0019","17.331","0.002","90","","97.341","0.011","90","","1591.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C84 H56 N8 S4 -","4","1","","Shen, Guodong; Yang, Bingchuan; Huang, Xianqiang; Hou, Yaxin; Gao, Huan; Cui, Jichun; Cui, Chuansheng; Zhang, Tongxin","Copper- and Palladium-Catalyzed Cross-Coupling Reactions for the Synthesis of N-Fused Benzo[4,5]imidazo[2,1-b]thiazole Derivatives via Substituted trans-1,2-Diiodoalkenes, 1H-Benzo[d]imidazole-2-thiols, and Halobenzenes.","The Journal of organic chemistry","2017","82","7","3798","3805","10.1021/acs.joc.7b00162","","","0.71073","MoKα","","0.1545","0.0642","","","0.1535","0.2217","","","","","","0.955","","","","has coordinates","196151","2020-10-21","18:00:00",""
"4032404","14.0787","0.0013","16.1044","0.0014","14.3694","0.0012","90","","94.455","0.001","90","","3248.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Br N2 O7 -","- C35 H35 Br N2 O7 -","- C140 H140 Br4 N8 O28 -","4","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1438","0.0563","","","0.1219","0.1617","","","","","","1.018","","","","has coordinates","196153","2020-10-21","18:00:00",""
"4032405","9.4413","0.0019","11.46","0.002","20.235","0.004","90","","90","","90","","2189.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C96 H116 N12 O8 -","4","1","","Peng, Jianwen; Gao, Yang; Zhu, Chuanle; Liu, Bifu; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng","Synthesis of Polysubstituted 3-Amino Pyrroles via Palladium-Catalyzed Multicomponent Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00098","","","0.71073","MoKα","","0.0965","0.0605","","","0.1382","0.154","","","","","","1.0226","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032406","9.1195","0.0006","27.0857","0.0019","8.3832","0.0006","90","","101.196","0.002","90","","2031.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N3 O5 S2 -","- C22 H17 N3 O5 S2 -","- C88 H68 N12 O20 S8 -","4","1","","Das, Debapratim; Poddar, Puja; Maity, Saurabh; Samanta, Rajarshi","Rhodium(III)-Catalyzed C6-Selective Arylation of 2-Pyridones and Related Heterocycles Using Quinone Diazides: Syntheses of Heteroarylated Phenols.","The Journal of organic chemistry","2017","82","7","3612","3621","10.1021/acs.joc.7b00135","","","0.71073","MoKα","","0.0574","0.0415","","","0.1037","0.1125","","","","","","1.046","","","","has coordinates","196158","2020-10-21","18:00:00",""
"4032407","7.03801","0.00006","16.8278","0.0001","25.192","0.0002","90","","92.2063","0.0006","90","","2981.38","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","4","","Kingston, Cian; Guiry, Patrick J.","Enantiodivergent Synthesis of Tertiary α-Aryl 1-Indanones: Evidence Toward Disparate Mechanisms in the Palladium-Catalyzed Decarboxylative Asymmetric Protonation","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00303","","","1.54184","CuKα","","0.0568","0.0565","","","0.1512","0.1516","","","","","","1.044","","","","has coordinates,has disorder","194551","2020-10-21","18:00:00",""
"4032408","11.8","0.002","12.63","0.003","13.63","0.003","68.074","0.006","70.491","0.006","81.465","0.006","1775.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Br2 N4 O6 -","- C28 H32 Br2 N4 O6 -","- C56 H64 Br4 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0667","0.0487","","","0.1312","0.1378","","","","","","1.08","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032409","11.313","0.003","11.4","0.003","16.467","0.005","99.471","0.011","95.525","0.012","114.446","0.011","1874.8","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N4 O6 -","- C40 H42 N4 O6 -","- C80 H84 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0534","0.0431","","","0.1159","0.1245","","","","","","1.078","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032410","8.5909","0.0006","9.3471","0.0007","16.4167","0.0014","74.516","0.005","85.903","0.005","66.308","0.004","1162.38","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","1","0.5","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.1125","0.0967","","","0.2435","0.2582","","","","","","1.007","","","","has coordinates","196147","2020-10-21","18:00:00",""
"4032411","12.2622","0.001","16.123","0.0014","10.5218","0.0008","90","","97.12","0.008","90","","2064.2","0.3","293","2","293","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","unk","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Mondal, Keshab; Pan, Subhas Chandra","Synthesis of 2,5-Disubstituted Furans from Sc(OTf)3 Catalyzed Reaction of Aryl Oxiranediesters with γ-Hydroxyenones.","The Journal of organic chemistry","2017","82","8","4415","4421","10.1021/acs.joc.7b00133","","x-ray","0.71073","MoKα","","0.1038","0.0587","","","0.1353","0.1671","","","","","","1.056","","","","has coordinates","196145","2020-10-21","18:00:00",""
"4032412","10.3094","0.0016","14.455","0.002","17.511","0.003","90","","104.905","0.004","90","","2521.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 O4 -","- C32 H24 N2 O4 -","- C128 H96 N8 O16 -","4","1","","Cao, Jing; Dong, Shuding; Jiang, Delu; Zhu, Peiyu; Zhang, Han; Li, Rui; Li, Zhanyi; Wang, Xuanyu; Tang, Weifang; Du, Ding","β-Functionalization of Indolin-2-one-Derived Aliphatic Acids for the Divergent Synthesis of Spirooxindole γ-Butyrolactones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00153","","","0.71073","MoKα","","0.107","0.0511","","","0.1296","0.1649","","","","","","0.941","","","","has coordinates","194642","2020-10-21","18:00:00",""
"4032413","8.679","0.006","11.875","0.008","12.649","0.008","106.234","0.01","109.319","0.01","104.799","0.01","1090.6","1.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","1","","Wu, Fu-Song; Zhao, Hai-Yuan; Xu, Yan-Li; Hu, Kun; Pan, Ying-Ming; Ma, Xian-Li","Catalyst-free Synthesis of Pyrrolo[1,2-a]quinolines via Dehydration/[3+2] Cycloaddition Directly from 2-Methylquinolines, Aldehydes and Alkynoates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00280","","","0.71073","MoKα","","0.0602","0.0431","","","0.1289","0.1426","","","","","","1.033","","","","has coordinates","194664","2020-10-21","18:00:00",""
"4032414","8.2176","0.0016","9.2644","0.0018","13.11","0.003","99.384","0.003","91.951","0.003","93.602","0.003","981.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F4 N O2 -","- C23 H17 F4 N O2 -","- C46 H34 F8 N2 O4 -","2","1","","Wu, Fu-Song; Zhao, Hai-Yuan; Xu, Yan-Li; Hu, Kun; Pan, Ying-Ming; Ma, Xian-Li","Catalyst-free Synthesis of Pyrrolo[1,2-a]quinolines via Dehydration/[3+2] Cycloaddition Directly from 2-Methylquinolines, Aldehydes and Alkynoates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00280","","","0.71073","MoKα","","0.0567","0.0459","","","0.1353","0.1494","","","","","","1.038","","","","has coordinates","194665","2020-10-21","18:00:00",""
"4032415","6.442","0.0001","7.5921","0.0001","21.9422","0.0003","90","","90","","90","","1073.16","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0364","0.0351","","0.0638","0.0629","0.0638","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032416","15.7767","0.0002","9.4629","0.0001","16.1402","0.0002","90","","91.7342","0.0013","90","","2408.52","0.05","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","0.71073","MoKα","","0.0466","0.0389","","0.0767","0.0687","0.0767","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032417","11.4714","0.0017","5.613","0.0006","16.915","0.002","90","","95.648","0.012","90","","1083.9","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0698","0.0577","","0.1638","0.1506","0.1638","","","","","","0.9998","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032418","14.6135","0.0002","5.8504","0.0001","14.6942","0.0002","90","","96.2796","0.0015","90","","1248.74","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.037","0.036","","0.0977","0.0964","0.0977","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032419","12.3613","0.0002","13.2672","0.0002","17.5612","0.0003","87.226","0.001","80.444","0.001","73.165","0.001","2718.35","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 Pd -","- C64 H56 Cl5 N3 Pd -","- C128 H112 Cl10 N6 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1262","0.0586","","","0.1202","0.1463","","","","","","0.996","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032420","13.21","0.0011","26.743","0.002","31.09","0.002","90","","96.562","0.005","90","","10911.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C255 H226 Cl14 N12 Pd4 -","- C255 H226 Cl14 N12 Pd4 -","- C510 H452 Cl28 N24 Pd8 -","2","0.5","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.184","0.0971","","","0.2473","0.311","","","","","","1.028","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032421","12.3395","0.0002","13.3565","0.0002","17.8538","0.0003","86.124","0.001","80.077","0.001","72.969","0.001","2770.94","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 O Pd -","- C64 H56 Cl5 N3 O Pd -","- C128 H112 Cl10 N6 O2 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.0497","0.0421","","","0.1123","0.1201","","","","","","1.019","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032422","19.631","0.0015","12.8061","0.001","23.818","0.002","90","","96.512","0.005","90","","5949.1","0.8","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63.88 H56.76 Cl3.76 N3 O4 Pd -","- C63.882 H56.764 Cl3.764 N3 O4 Pd -","- C255.528 H227.056 Cl15.056 N12 O16 Pd4 -","4","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1078","0.0584","","","0.1492","0.179","","","","","","1.016","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032423","53.153","0.006","5.7648","0.0006","26.264","0.003","90","","116.484","0.003","90","","7203.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 F O2 -","- C24 H19 F O2 -","- C384 H304 F16 O32 -","16","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0659","0.0414","","","0.088","0.0996","","","","","","1.025","","","","has coordinates","194756","2020-10-21","18:00:00",""
"4032424","9.6023","0.0008","11.2451","0.0009","19.0201","0.0015","90","","90","","90","","2053.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhu, Meina; Chen, Jingchao; He, Xiaobo; Gu, Cuiping; Xu, Jianbin; Fan, Baomin","Iridium-Catalyzed Anti-Stereoselective Asymmetric Ring-Opening Reactions of Azabenzonorbornadienes with Carboxylic Acids.","The Journal of organic chemistry","2017","82","6","3167","3172","10.1021/acs.joc.7b00178","","","1.54178","CuKα","","0.0459","0.0458","","","0.1287","0.1289","","","","","","1.057","","","","has coordinates","194757","2020-10-21","18:00:00",""
"4032425","4.438","0.004","10.21","0.01","15.7","0.02","100.87","0.06","95.25","0.05","93.71","0.03","693.3","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-METHYL-1-PHENYL-[1,3]DIOXOLO[4,5,6,7]CHROMENO[2,3-c]PYRAZOL-4(1H)-ONE","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C36 H24 N4 O8 -","2","1","","Obulesu, Owk; Babu, K. Harish; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Copper-Catalyzed Tandem O-Arylation-Oxidative Cross Coupling: Synthesis of Chromone Fused Pyrazoles.","The Journal of organic chemistry","2017","82","6","2926","2934","10.1021/acs.joc.6b02890","","","0.71073","MoKα","","0.0524","0.0387","","","0.0946","0.1026","","","","","","1.071","","","","has coordinates","194758","2020-10-21","18:00:00",""
"4032428","10.0324","0.0009","17.4049","0.0012","10.1453","0.0006","90","","101.401","0.007","90","","1736.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N5 O2 S2 -","- C15 H19 N5 O2 S2 -","- C60 H76 N20 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0796","0.0389","","","0.0875","0.0927","","","","","","1.012","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032429","11.449","0.003","9.3485","0.0001","17.637","0.003","90","","108.7","0.004","90","","1788.1","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N4 O S -","- C7 H8 N4 O S -","- C56 H64 N32 O8 S8 -","8","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0692","0.0366","","","0.0861","0.0901","","","","","","1","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032430","25.518","0.001","8.0088","0.0003","23.3552","0.0009","90","","93.9449","0.0012","90","","4761.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C32H26O4","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0503","0.0425","","","0.1099","0.1187","","","","","","1.028","","","","has coordinates","196139","2020-10-21","18:00:00",""
"4032431","10.4204","0.0004","16.8718","0.0007","30.1306","0.0012","90","","90","","90","","5297.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","","Rao, V. U. Bhaskara; Kumar, Krishna; Das, Tamal; Vanka, Kumar; Singh, Ravi P.","DBU-mediated Diastereoselective Aldol-type Cyanomethylation of Isatins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00512","","","0.71073","MoKα","","0.0619","0.0527","","","0.1103","0.1149","","","","","","1.176","","","","has coordinates","195245","2020-10-21","18:00:00",""
"4032432","10.4901","0.0013","10.6393","0.0012","26.13","0.004","90","","90","","90","","2916.3","0.7","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","2-(4-Cyano-2,3,5,6-tetrafluorophenyl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazol-3-oxide-1-oxyle","","- C14 H12 F4 N3 O2 -","- C14 H12 F4 N3 O2 -","- C112 H96 F32 N24 O16 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1087","0.0654","","","0.1415","0.1699","","","","","","1.09","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032433","10.3528","0.0003","10.8047","0.0003","26.1688","0.0006","90","","90","","90","","2927.21","0.14","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","4-(4,4,5,5-Tetramethyl-1-oxyl-4,5-dihydro-1H-imidazol-2-yl)- 2,3,5,6-tetrafluorobenzonitrile","","- C14 H12 F4 N3 O -","- C14 H12 F4 N3 O -","- C112 H96 F32 N24 O8 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.0773","0.0565","","","0.1364","0.1687","","","","","","1.032","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032434","10.0863","0.0006","12.4846","0.0007","13.1297","0.0007","76.259","0.002","78.474","0.002","87.054","0.002","1573.62","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((di(4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyle-yl) (perfluorophenyl)methyl)amino)-2,3,5,6-tetrafluoro-benzonitrile","","- C28 H24 F9 N6 O4 -","- C28 H24 F9 N6 O4 -","- C56 H48 F18 N12 O8 -","2","1","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1234","0.0665","","","0.1749","0.2495","","","","","","1.235","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032435","11.2235","0.0002","12.7822","0.0003","13.1058","0.0003","62.549","0.001","83.916","0.001","87.437","0.001","1659.06","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Br2 N3 O -","- C40 H33 Br2 N3 O -","- C80 H66 Br4 N6 O2 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.0568","0.0391","","","0.1211","0.1311","","","","","","0.93","","","","has coordinates","196140","2020-10-21","18:00:00",""
"4032436","8.4038","0.0005","9.7159","0.0006","22.1773","0.0015","90","","90.719","0.006","90","","1810.6","0.2","323","","323","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 -","- C25 H22 -","- C100 H88 -","4","1","","Ramesh, Karu; Satyanarayana, Gedu","A Domino Palladium-Catalyzed Cyclization: One-pot Synthesis of 4b-Alkyl-10-phenyl-4b,5-dihydroindeno[2,1-a]indenes via Carbopalladation Followed by C-H Activation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00254","","x-ray","1.54184","CuKα","","0.0879","0.0605","","","0.1511","0.1793","","","","","","1.025","","","","has coordinates","195332","2020-10-21","18:00:00",""
"4032437","14.5573","0.0009","9.7534","0.0006","22.1777","0.0015","90","","90.462","0.002","90","","3148.8","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 N9 O6 -","- C32 H41 N9 O6 -","- C128 H164 N36 O24 -","4","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0706","0.0494","","","0.1316","0.1473","","","","","","1.024","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032438","23.3708","0.0009","14.0581","0.0006","16.9479","0.0007","90","","93.186","0.002","90","","5559.6","0.4","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H37.66 N9 O4.66 -","- C24 H35 N9 O4.6645 -","- C192 H280 N72 O37.316 -","8","2","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0569","0.0397","","","0.0896","0.0986","","","","","","1.052","","","","has coordinates,has disorder","196143","2020-10-21","18:00:00",""
"4032439","10.6223","0.0005","11.869","0.0006","16.7855","0.0007","90","","104.442","0.002","90","","2049.38","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H57 N13 O9 -","- C34 H57 N13 O9 -","- C68 H114 N26 O18 -","2","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0568","0.0425","","","0.1061","0.1147","","","","","","1.023","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032440","14.2403","0.0003","14.2403","0.0003","32.6696","0.0009","90","","90","","120","","5737.4","0.2","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H39 N9 O3 -","- C39 H39 N9 O3 -","- C234 H234 N54 O18 -","6","0.333333","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0672","0.0477","","","0.1245","0.1321","","","","","","1.034","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032441","10.5904","0.0004","6.8559","0.0003","12.0499","0.0004","90","","109.077","0.002","90","","826.85","0.06","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Hrdina, Radim; Larrosa, Marta; Logemann, Christian","Triflic Acid Promoted Decarboxylation of Adamantane-oxazolidine-2-one: Access to Chiral Amines and Heterocycles.","The Journal of organic chemistry","2017","82","9","4891","4899","10.1021/acs.joc.7b00711","","","0.71073","MoKα","","0.0485","0.0383","","","0.0892","0.0927","","","","","","1.039","","","","has coordinates","197463","2020-10-21","18:00:00",""
"4032442","25.349","0.002","8.7736","0.0007","15.5435","0.0019","90","","106.651","0.004","90","","3311.9","0.6","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","2","","Hauduc, Clémence; Bélanger, Guillaume","General Approach toward Aspidospermatan-Type Alkaloids Using One-Pot Vilsmeier‒Haack Cyclization and Azomethine Ylide Cycloaddition","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00345","","x-ray","1.54178","CuKα","","0.1692","0.1038","","","0.2502","0.3105","","","","","","1.006","","","","has coordinates","195519","2020-10-21","18:00:00",""
"4032443","15.1665","0.0015","20.999","0.002","6.8761","0.0007","90","","93.678","0.002","90","","2185.4","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","AM-161206","","","- C23 H20 Br N O3 S2 -","- C23 H20 Br N O3 S2 -","- C92 H80 Br4 N4 O12 S8 -","4","1","","Soeta, Takahiro; Matsumoto, Akihiro; Sakata, Yoko; Ukaji, Yutaka","Development of a One-Pot Synthetic Method for Multifunctional Oxazole Derivatives Using Isocyanide Dichloride.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00296","","","1.54178","CuKα","","0.0607","0.0606","","","0.149","0.1491","","","","","","1.17","","","","has coordinates","195594","2020-10-21","18:00:00",""
"4032444","6.9573","0.0007","13.1585","0.0013","13.8579","0.0014","90","","90","","90","","1268.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ak","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0554","0.0488","","","0.1274","0.1326","","","","","","1.036","","","","has coordinates","197462","2020-10-21","18:00:00",""
"4032445","10.9331","0.0002","10.9331","0.0002","54.663","0.001","90","","90","","90","","6534","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C38 H53 N O4 -","- C38 H53 N O4 -","- C304 H424 N8 O32 -","8","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0376","0.0329","","","0.0902","0.0953","","","","","","1.124","","","","has coordinates,has disorder","197464","2020-10-21","18:00:00",""
"4032446","7.2203","0.0002","12.1227","0.0004","37.8288","0.0013","90","","90","","90","","3311.14","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N O3 -","- C38 H51 N O3 -","- C152 H204 N4 O12 -","4","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0399","0.038","","","0.1075","0.1144","","","","","","1.074","","","","has coordinates","197464","2020-10-21","18:00:00",""
"4032448","13.032","0.002","5.5995","0.001","13.2174","0.0017","90","","99.231","0.014","90","","952","0.3","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H18.504 N O4 S -","- C44 H37.008 N2 O8 S2 -","2","1","","Chen, Ying-Han; Sun, Xue-Li; Guan, Hua-Shi; Liu, Yan-Kai","The Diversity-Oriented One-Pot Synthesis to Construct Functionalized Chroman-2-one Derivatives and Other Heterocyclic Compounds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00461","","","1.54178","CuKα","","0.137","0.076","","","0.1664","0.218","","","","","","1.018","","","","has coordinates,has disorder","195726","2020-10-21","18:00:00",""
"4032449","14.3911","0.0014","10.3957","0.001","18.5711","0.0014","90","","119.604","0.005","90","","2415.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Liu, Wei; Du, Shan-Tao; Wang, Shu-Yue; Liao, Wei-Wei","Controllable Diastereodivergent Synthesis of Pyrrolo[2,1-a]isoquinolines via Catalytic Intramolecular Acylsulfenylation of Activated Alkenes.","The Journal of organic chemistry","2017","82","9","4829","4839","10.1021/acs.joc.7b00551","","","0.71073","MoKα","","0.0842","0.0485","","","0.1191","0.1439","","","","","","0.954","","","","has coordinates","197465","2020-10-21","18:00:00",""
"4032450","5.7229","0.0001","9.5442","0.0002","32.0798","0.0007","90","","90","","90","","1752.21","0.06","100","2","99.88","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O4 -","- C19 H19 Br O4 -","- C76 H76 Br4 O16 -","4","1","","Wang, Michael H.; Barsoum, David; Schwamb, C. Benjamin; Cohen, Daniel T.; Goess, Brian C.; Riedrich, Matthias; Chan, Audrey; Maki, Brooks E.; Mishra, Rama K.; Scheidt, Karl A.","Catalytic, Enantioselective β-Protonation through a Cooperative Activation Strategy.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00334","","","1.54178","CuKα","","0.0281","0.0252","","","0.0563","0.0575","","","","","","1.071","","","","has coordinates","195790","2020-10-21","18:00:00",""
"4032451","8.465","0.002","11.17","0.003","11.577","0.005","108.342","0.007","104.039","0.008","106.454","0.005","928","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O6 -","- C18 H19 Br O6 -","- C36 H38 Br2 O12 -","2","1","","Min, Junxiang; Xu, Guangyang; Sun, Jiangtao","Synthesis of Six-Membered Carbo-/Heterocycles via Cascade Reaction of Alkynes and Diazo Compounds.","The Journal of organic chemistry","2017","82","10","5492","5498","10.1021/acs.joc.7b00758","","","0.71073","MoKα","","0.0812","0.0562","","","0.1799","0.21","","","","","","1.016","","","","has coordinates","197458","2020-10-21","18:00:00",""
"4032452","27.9369","0.0005","20.0666","0.0004","20.6827","0.0004","90","","90","","90","","11594.7","0.4","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H28 F6 O2 -","- C50 H28 F6 O2 -","- C600 H336 F72 O24 -","12","1.5","","Tseng, Ting; Lu, Hsiu-Feng; Kao, Chen-Yi; Chiu, Chun-Wei; Chao, Ito; Prabhakar, Chetti; Yang, Jye-Shane","Redox-Gated Tristable Molecular Brakes of Geared Rotation.","The Journal of organic chemistry","2017","82","10","5354","5366","10.1021/acs.joc.7b00729","","","1.54178","CuKα","","0.1026","0.0703","","","0.189","0.2221","","","","","","1.066","","","","has coordinates","197456","2020-10-21","18:00:00",""
"4032453","6.8177","0.0008","17.185","0.002","19.121","0.002","90","","90","","90","","2240.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Cl N O4 -","- C27 H20 Cl N O4 -","- C108 H80 Cl4 N4 O16 -","4","1","","Jin, Jing-Hai; Li, Xiang-Yu; Luo, Xiaoyan; Fossey, John Stephen; Deng, Wei-Ping","Asymmetric Synthesis of cis-3,4-Dihydrocoumarins via [4+2] Cycloadditions Catalyzed by Amidine-Derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00367","","","0.71073","MoKα","","0.0586","0.0435","","","0.1005","0.1093","","","","","","1.026","","","","has coordinates","195884","2020-10-21","18:00:00",""
"4032454","6.2409","0.00005","50.3641","0.0003","8.2566","0.00006","90","","103.276","0.0007","90","","2525.83","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl2 N O5 Si -","- C23 H31 Cl2 N O5 Si -","- C92 H124 Cl8 N4 O20 Si4 -","4","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","x-ray","1.54184","CuKα","","0.0528","0.0505","","","0.1272","0.1292","","","","","","1.051","","","","has coordinates,has disorder","196015","2020-10-21","18:00:00",""
"4032455","10.6995","0.0004","15.0959","0.0006","34.2987","0.0013","90","","90","","90","","5539.9","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Br2 O2 -","- C36 H28 Br2 O2 -","- C288 H224 Br16 O16 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0399","0.0327","","","0.0781","0.0813","","","","","","1.068","","","","has coordinates","196016","2020-10-21","18:00:00",""
"4032456","9.9514","0.0002","12.1514","0.0003","16.6468","0.0003","109.612","0.001","93.845","0.001","106.074","0.001","1793.39","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 N3 O3 -","- C44 H43 N3 O3 -","- C88 H86 N6 O6 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.059","0.0504","","","0.1354","0.1425","","","","","","1.082","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032457","5.844","0.0001","9.814","0.0001","14.4195","0.0001","90","","90","","90","","827.002","0.017","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0267","0.0267","","0.0726","0.0725","0.0726","","","","","","1.0001","","","","has coordinates","196018","2020-10-21","18:00:00",""
"4032458","12.1155","0.0007","3.9036","0.0002","18.1199","0.0013","90","","107.25","0.007","90","","818.42","0.09","150","","150","","","","","","","","local","3","I 1 a 1","I -2ya","9","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0422","0.042","","0.107","0.107","0.107","","","","","","1.0464","","","","has coordinates","196019","2020-10-21","18:00:00",""
"4032459","9.5865","0.0002","13.2423","0.0004","15.168","0.0004","90","","90","","90","","1925.54","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","0.71073","MoKα","","0.0389","0.0317","","0.0752","0.0614","0.0733","","","","","","1","","","","has coordinates","196020","2020-10-21","18:00:00",""
"4032460","11.1814","0.0002","5.53776","0.00008","13.4546","0.0002","90","","96.2939","0.0015","90","","828.09","0.02","150","","150","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0381","0.0349","","0.0888","0.0857","0.0888","","","","","","0.9968","","","","has coordinates","196021","2020-10-21","18:00:00",""
"4032461","10.971","0.003","9.801","0.002","24.597","0.005","90","","95.854","0.014","90","","2631","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoxazinone","'Pentafluoro benzoxazinone'","","- C15 H8 F5 N O2 -","- C15 H8 F5 N O2 -","- C120 H64 F40 N8 O16 -","8","2","","Patel, Ketan; Deshmukh, Satej S.; Bodkhe, Dnyaneshwar; Mane, Manoj; Vanka, Kumar; Shinde, Dinesh; Rajamohanan, Pattuparambil R.; Nandi, Shyamapada; Vaidhyanathan, Ramanathan; Chikkali, Samir H.","Secondary Interactions Arrest the Hemiaminal Intermediate To Invert the Modus Operandi of Schiff Base Reaction: A Route to Benzoxazinones.","The Journal of organic chemistry","2017","82","8","4342","4351","10.1021/acs.joc.7b00352","","","1.54178","CuKα","","0.1305","0.0802","","","0.1675","0.1936","","","","","","1.052","","","","has coordinates","196022","2020-10-21","18:00:00",""
"4032462","20.399","0.0008","5.7846","0.0002","7.8899","0.0003","90","","98.458","0.004","90","","920.88","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0586","0.0565","","0.0962","0.0956","0.0962","","","","","","1","","","","has coordinates","196023","2020-10-21","18:00:00",""
"4032463","21.5986","0.0004","6.8991","0.00011","17.6362","0.0003","90","","104.596","0.002","90","","2543.17","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","2","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","x-ray","1.54184","CuKα","","0.0871","0.0842","","","0.2124","0.2142","","","","","","1.122","","","","has coordinates,has disorder","196024","2020-10-21","18:00:00",""
"4032464","7.1367","0.0001","13.239","0.0001","22.5108","0.0002","90","","90","","90","","2126.88","0.04","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0338","0.0332","","0.0578","0.0576","0.0578","","","","","","1","","","","has coordinates","196025","2020-10-21","18:00:00",""
"4032465","9.654","0.003","10.951","0.003","13.265","0.004","77.526","0.003","70.388","0.004","79.507","0.004","1280.7","0.7","293","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Br F2 N O3 -","- C29 H23 Br F2 N O3 -","- C58 H46 Br2 F4 N2 O6 -","2","1","","Huang, Honggui; Li, Yi","Sustainable Difluoroalkylation Cyclization Cascades of 1,8-Enynes.","The Journal of organic chemistry","2017","82","8","4449","4457","10.1021/acs.joc.7b00350","","","0.71073","MoKα","","0.0962","0.0634","","","0.1604","0.189","","","","","","1.021","","","","has coordinates","196026","2020-10-21","18:00:00",""
"4032466","8.0463","0.0002","11.0031","0.0003","22.3913","0.0005","90","","90","","90","","1982.4","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,9R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol","","- C19 H33 N O2 Si -","- C19 H33 N O2 Si -","- C76 H132 N4 O8 Si4 -","4","1","","Luo, Guanglin; Chen, Ling; Conway, Charles M.; Kostich, Walter; Johnson, Benjamin M.; Ng, Alicia; Macor, John E.; Dubowchik, Gene M.","Asymmetric Synthesis of the Major Metabolite of a Calcitonin Gene-Related Peptide Receptor Antagonist and Mechanism of Epoxide Hydrogenolysis.","The Journal of organic chemistry","2017","82","7","3710","3720","10.1021/acs.joc.7b00052","","","1.54178","CuKα","","0.0375","0.0362","","","0.1144","0.1163","","","","","","0.989","","","","has coordinates","196027","2020-10-21","18:00:00",""
"4032467","12.9896","0.0014","4.9301","0.0005","38.715","0.004","90","","96.427","0.006","90","","2463.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C120 H80 F24 N8 O16 -","8","2","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0612","0.05","","","0.1341","0.1424","","","","","","1.062","","","","has coordinates","196028","2020-10-21","18:00:00",""
"4032468","32.5385","0.0015","9.6703","0.0004","17.3689","0.0007","90","","120.546","0.003","90","","4706.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","S1493","","","- C30 H18 N O3 -","- C30 H18 N O3 -","- C240 H144 N8 O24 -","8","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.1135","0.1074","","","0.2811","0.2881","","","","","","1.041","","","","has coordinates","196029","2020-10-21","18:00:00",""
"4032469","11.9977","0.0014","12.188","0.0014","13.648","0.002","90","","93.308","0.002","90","","1992.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-di(pyridin-2-yl)-6H,12H-dibenzo[b,f][1,5]dithiocine-6,12-diamine","","- C24 H16 N4 S2 -","- C24 H16 N4 S2 -","- C96 H64 N16 S8 -","4","0.5","","Gangireddy, Pavankumar; Patro, Vidyavathi; Lam, Leighann; Morimoto, Mariko; Liebeskind, Lanny S.","Mechanism of Acylative Oxidation-Reduction-Condensation Reactions Using Benzoisothiazolones as Oxidant and Triethylphosphite as Stoichiometric Reductant.","The Journal of organic chemistry","2017","82","7","3513","3529","10.1021/acs.joc.7b00020","","","0.71073","MoKα","","0.0644","0.0524","","","0.1336","0.141","","","","","","1.056","","","","has coordinates","196030","2020-10-21","18:00:00",""
"4032470","10.454","0.001","11.4769","0.0012","12.4781","0.0015","95.655","0.001","109.758","0.002","94.323","0.001","1392.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Cl N2 O5 -","- C32 H29 Cl N2 O5 -","- C64 H58 Cl2 N4 O10 -","2","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1464","0.069","","","0.1303","0.1515","","","","","","1.049","","","","has coordinates","196031","2020-10-21","18:00:00",""
"4032471","9.6577","0.0002","26.6774","0.0005","10.5938","0.0002","90","","109.914","0.002","90","","2566.21","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O4 Si2 -","- C24 H42 O4 Si2 -","- C96 H168 O16 Si8 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0501","0.0462","","","0.1212","0.126","","","","","","1.061","","","","has coordinates","196032","2020-10-21","18:00:00",""
"4032472","12.5947","0.0002","6.7483","0.0001","14.1169","0.0003","90","","105.382","0.002","90","","1156.86","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0447","0.0425","","","0.1178","0.12","","","","","","1.044","","","","has coordinates","196033","2020-10-21","18:00:00",""
"4032473","7.6762","0.0006","10.2708","0.0009","12.3668","0.001","101.731","0.007","92.064","0.006","107.741","0.007","904.21","0.14","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhou, Xiaorong; Zhang, Zhiyin; Zhao, Hongyang; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Annulations of N-Methoxybenzamides and Ketenimines: Sterically and Electronically Controlled Synthesis of Isoquinolinones and Isoindolinones.","The Journal of organic chemistry","2017","82","7","3787","3797","10.1021/acs.joc.7b00258","","","0.71073","MoKα","","0.0659","0.047","","","0.109","0.1242","","","","","","1.05","","","","has coordinates","196034","2020-10-21","18:00:00",""
"4032474","11.515","0.002","13.218","0.002","11.683","0.002","90","","93.795","0.005","90","","1774.3","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C80 H32 N24 S12 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0825","0.0483","","","0.1016","0.1151","","","","","","1.03","","","","has coordinates","196193","2020-10-21","18:00:00",""
"4032475","14.218","0.002","3.651","0.0007","7.7954","0.0013","90","","90","","90","","404.66","0.12","100","","100","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C6 N6 S3 -","- C6 N6 S3 -","- C12 N12 S6 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0426","0.0387","","","0.0957","0.0979","","","","","","1.124","","","","has coordinates","196194","2020-10-21","18:00:00",""
"4032476","12.812","0.002","7.0885","0.0012","23.719","0.004","90","","90","","90","","2154.1","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.1035","0.0849","","","0.1797","0.1874","","","","","","1.349","","","","has coordinates","197459","2020-10-21","18:00:00",""
"4032477","10.3149","0.0012","6.163","0.0007","16.152","0.002","90","","105.452","0.015","90","","989.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0563","0.0436","","","0.1108","0.1219","","","","","","1.079","","","","has coordinates","197461","2020-10-21","18:00:00",""
"4032478","13.1943","0.0013","8.1217","0.0008","18.6026","0.0018","90","","107.453","0.003","90","","1901.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Chandrasekhar, D. Balaji; Tsay, Shwu-Chen; Pradhan, Tapan K.; Hwu, Jih Ru","Syntheses of Chroman-2-ones and α-Amino Acids through a Diastereoselective Domino Reaction.","The Journal of organic chemistry","2017","82","11","5524","5537","10.1021/acs.joc.7b00260","","","0.71073","MoKα","","0.0519","0.038","","","0.0872","0.0945","","","","","","1.027","","","","has coordinates","197467","2020-10-21","18:00:00",""
"4032479","18.65","0.007","5.121","0.003","14.299","0.005","90","","112.07","0.03","90","","1265.6","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-pentafluorophenyl)-2H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride","","- C10 H5 Cl F5 N5 -","- C10 H5 Cl F5 N5 -","- C40 H20 Cl4 F20 N20 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.0824","0.0489","","","0.102","0.1167","","","","","","1.082","","","","has coordinates,has disorder","196533","2020-10-21","18:00:00",""
"4032480","7.44","0.004","7.713","0.0008","13.61","0.006","86.48","0.02","74.24","0.05","85.21","0.03","748.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","4-methyl-7-(4-deureroxyphenyl)-2D-3D-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride D6-dimethylsulphoxide solvate","","- C12 H7 Cl D9 N5 O2 S -","- C12 H7 Cl D9 N5 O2 S -","- C24 H14 Cl2 D18 N10 O4 S2 -","2","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.0367","0.0304","","","0.0787","0.0828","","","","","","1.093","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032481","10.062","0.005","7.286","0.003","27.054","0.006","90","","105.89","0.02","90","","1907.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-[1,2,4]triazolo[3,2-c] [1,2,4]triazole","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","2","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1355","0.0574","","","0.0992","0.121","","","","","","1.061","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032482","17.903","0.005","6.752","0.002","24.726","0.006","90","","121.55","0.03","90","","2547.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium sulphate trihydrate","","- C20 H26 N10 O9 S -","- C20 H26 N10 O9 S -","- C80 H104 N40 O36 S4 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1537","0.0661","","","0.1338","0.1689","","","","","","1.04","","","","has coordinates,has disorder","196533","2020-10-21","18:00:00",""
"4032483","11.593","0.004","18.283","0.006","7.6","0.003","90","","97.58","0.02","90","","1596.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-2H-[1,2,4]triazolo[3,2-c] [1,2,4]triazole acetic acid disolvate","","- C14 H17 N5 O5 -","- C14 H17 N5 O5 -","- C56 H68 N20 O20 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1983","0.0731","","","0.1279","0.1679","","","","","","0.995","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032484","6.147","0.0008","13.509","0.004","13.966","0.004","90","","105.541","0.019","90","","1117.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-7-(4-hydroxyphenyl)-1H-3H-[1,2,4]triazolo [3,2-c][1,2,4]triazolium chloride","","- C10 H10 Cl N5 O -","- C10 H10 Cl N5 O -","- C40 H40 Cl4 N20 O4 -","4","1","","Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea","Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00380","","x-ray","0.71073","MoKα","","0.1022","0.0513","","","0.1076","0.1301","","","","","","1.069","","","","has coordinates","196533","2020-10-21","18:00:00",""
"4032485","14.789","0.004","10.621","0.003","23.418","0.006","90","","95.206","0.004","90","","3663.2","1.7","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 B N O2 -","- C48 H44 B N O2 -","- C192 H176 B4 N4 O8 -","4","1","","Kurata, Ryohei; Ito, Akihiro; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki","Diarylamino- and Diarylboryl-Substituted Donor‒Acceptor Pyrene Derivatives: Influence of Substitution Pattern on Their Photophysical Properties","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00315","","","0.7107","MoKα","","","0.0735","","","","0.2194","","","","","","1.143","","","","has coordinates","196560","2020-10-21","18:00:00",""
"4032486","10.4971","0.0002","7.6333","0.0001","16.6642","0.0003","90","","93.33","0.001","90","","1333.01","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0348","0.0325","","","0.0886","0.0916","","","","","","1.051","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032487","12.6062","0.0008","15.8957","0.001","6.5668","0.0004","90","","99.593","0.003","90","","1297.48","0.14","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0638","0.0505","","","0.13","0.1414","","","","","","1.067","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032488","10.0199","0.0017","11.491","0.002","8.1689","0.0014","90","","100.574","0.002","90","","924.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C36 H28 Br4 N8 O4 -","4","1","","Wang, Fang; Zhang, Tao; Tu, Hai-Yong; Zhang, Xing-Guo","Transition-Metal-Free Conversion of Trifluoropropanamides into Cyanoformamides through C-CF3 Bond Cleavage and Nitrogenation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00626","","","0.71073","MoKα","","0.0274","0.0266","","","0.0886","0.0893","","","","","","1.016","","","","has coordinates","196563","2020-10-21","18:00:00",""
"4032489","9.036","0.018","12.31","0.03","12.72","0.03","104.25","0.03","93.336","0.019","90.5","0.04","1369","5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Nickel-Catalyzed Directed C6-Selective C-H Alkylation of 2-Pyridones with Dienes and Activated Alkenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00682","","","0.71075","MoKα","","0.2225","0.1011","","","0.2282","0.3059","","","","","","1.067","","","","has coordinates","196564","2020-10-21","18:00:00",""
"4032490","8.624","0.0009","9.7739","0.0006","10.9703","0.0013","94.825","0.007","97.934","0.009","92.335","0.007","911.31","0.16","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl0.3 I2.62 N2 O -","- C14 H16 Cl0.3 I2.62 N2 O -","- C28 H32 Cl0.6 I5.24 N4 O2 -","2","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0577","0.0492","","","0.1246","0.1322","","","","","","1.089","","","","has coordinates,has disorder","197454","2020-10-21","18:00:00",""
"4032491","9.8611","0.0003","21.0117","0.0008","22.6116","0.001","68.296","0.004","78.859","0.003","84.254","0.003","4268.8","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 I5 N4 -","- C22 H23 I5 N4 -","- C132 H138 I30 N24 -","6","3","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","1.54184","CuKα","","0.0878","0.0562","","","0.1108","0.1271","","","","","","1.026","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032492","15.1173","0.0003","14.2656","0.0003","16.7613","0.0003","90","","90","","90","","3614.7","0.12","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N6 O5 -","- C18 H11 Cl N6 O5 -","- C144 H88 Cl8 N48 O40 -","8","1","","Iwai, Kento; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of Functionalized 3-Cyanoisoxazoles Using a Dianionic Reagent.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00811","","","1.54187","CuKα","","0.0363","0.0344","","","0.0863","0.0875","","","","","","1.082","","","","has coordinates","196593","2020-10-21","18:00:00",""
"4032493","19.0974","0.0009","19.0974","0.0009","8.3204","0.0004","90","","90","","90","","3034.5","0.2","100.02","","100.02","","","","","","","","","5","P -4 21 c","P -4 2n","114","","5,10,15,20-tetrakis((4-bromophenyl)thio)-2,3,7,8,12,13,17,18-octaethylporphyrin","","- C60 H58 Br4 N4 S4 -","- C60 H58 Br4 N4 S4 -","- C120 H116 Br8 N8 S8 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0361","0.0318","","","0.07","0.0713","","","","","","1.048","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032494","8.947","0.0005","55.603","0.003","20.6784","0.001","90","","91.7016","0.0015","90","","10282.6","0.9","100","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(phenylthio)porphyrin","","- C60 H62 N4 S4 -","- C60 H62 N4 S4 -","- C480 H496 N32 S32 -","8","2","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0631","0.0488","","","0.0999","0.105","","","","","","1.108","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032495","8.7585","0.0005","23.2617","0.0014","24.6838","0.0014","90","","90","","90","","5029","0.5","100.01","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(pyridin-2-ylthio)porphyrin","","- C56 H58 N8 S4 -","- C56 H58 N8 S4 -","- C224 H232 N32 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0736","0.0656","","","0.1695","0.1773","","","","","","1.035","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032496","14.405","0.0005","29.2714","0.0009","15.847","0.0005","90","","97.683","0.002","90","","6622","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(naphthyl-2-ylthio)porphyrin and 2,3,7,8,12,13,17,18-octaethyl-10,15,20-tri(naphthyl-2-ylthio)- 5-thiolporphyrin","","- C74 H68.8 N4 S4 -","- C74 H68.8 N4 S4 -","- C296 H275.2 N16 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0944","0.0678","","","0.1843","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032497","9.5646","0.0004","23.0982","0.0009","14.9997","0.0006","90","","93.453","0.002","90","","3307.8","0.2","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,3,7,8,12,13,17,18-octaethyl-5,10-dinitroporphyrinato] nickel(II)","","- C36 H42 N6 Ni O4 -","- C36 H42 N6 Ni O4 -","- C144 H168 N24 Ni4 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0533","0.0451","","","0.1176","0.124","","","","","","1.041","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032498","12.7085","0.0006","10.9353","0.0005","23.2462","0.0011","90","","92.6748","0.0015","90","","3227","0.3","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,20-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C144 H176 N24 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0761","0.0471","","","0.103","0.1159","","","","","","1.033","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032499","9.6015","0.0005","13.6688","0.0008","13.7637","0.0008","101.568","0.003","106.044","0.002","104.705","0.002","1606.37","0.16","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","2,3,7,8,12,13,17,18-octaethyl-5,15-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C72 H88 N12 O8 -","2","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0992","0.048","","","0.0995","0.1167","","","","","","1.001","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032500","8.6656","0.0011","13.9561","0.0017","27.365","0.003","90","","90","","90","","3309.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15-trinitroporphyrin","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0482","0.0411","","","0.0966","0.1","","","","","","1.058","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032501","9.8115","0.0005","13.4789","0.0006","22.6671","0.0015","90","","99.671","0.005","90","","2955.1","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","2","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.7107","MoKα","","0.1074","0.0603","","","0.128","0.1583","","","","","","1.056","","","","has coordinates","197453","2020-10-21","18:00:00",""
"4032502","13.8582","0.0014","8.4793","0.0008","17.1636","0.0017","90","","94.026","0.002","90","","2011.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F N O4 -","- C10 H10 F N O4 -","- C80 H80 F8 N8 O32 -","8","2","","Motornov, Vladimir A.; Muzalevskiy, Vasiliy M.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Radical Nitration-Debromination of α-Bromo-α-fluoroalkenes as a Stereoselective Route to Aromatic α-Fluoronitroalkenes-Functionalized Fluorinated Building Blocks for Organic Synthesis.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00578","","","0.71073","MoKα","","0.0775","0.057","","","0.1617","0.181","","","","","","1.045","","","","has coordinates,has disorder","196639","2020-10-21","18:00:00",""
"4032503","9.7574","0.0007","9.8733","0.0008","10.1948","0.0009","74.937","0.003","61.753","0.002","76.281","0.002","827.9","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.1122","0.0545","","","0.1155","0.1624","","","","","","1.004","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032504","9.6673","0.0007","10.8096","0.0008","11.3855","0.0009","99.155","0.006","97.058","0.006","106.058","0.006","1111.19","0.15","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 F N3 -","- C29 H20 F N3 -","- C58 H40 F2 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.0603","0.0429","","","0.0955","0.1085","","","","","","1.039","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032505","6.1641","0.0003","17.7996","0.0009","21.8234","0.0012","90","","90","","90","","2394.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0994","0.0472","","","0.1109","0.1324","","","","","","1.011","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032506","6.1649","0.0002","11.6215","0.0005","15.8461","0.0006","108.224","0.002","94.768","0.002","100.713","0.002","1047.35","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C48 H50 N2 O8 -","2","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0844","0.0454","","","0.1033","0.121","","","","","","1.027","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032507","5.793","0.002","23.033","0.009","7.148","0.003","90","","102.186","0.012","90","","932.3","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Yedage, Subhash Laxman; Bhanage, Bhalchandra M.","tert-Butyl Nitrite Mediated Synthesis of N-nitrosoamides, Carboxylic Acids, Benzocoumarins and Isocoumarins from Amides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00570","","","0.71073","MoKα","","0.1319","0.1089","","","0.3017","0.3161","","","","","","1.061","","","","has coordinates","196658","2020-10-21","18:00:00",""
"4032508","9.4847","0.0019","13.027","0.003","13.207","0.003","89.49","0.03","88.15","0.03","84.53","0.03","1623.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 S -","- C17 H18 N4 S -","- C68 H72 N16 S4 -","4","2","","Wang, Bingnan; Meng, Yinggao; Zhou, Yiming; Ren, Linning; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of 5-Amino and 3,5-Diamino Substituted 1,2,4-Thiadiazoles by I2-Mediated Oxidative N-S Bond Formation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00814","","","0.71073","MoKα","","0.0703","0.0555","","","0.1667","0.1832","","","","","","1.153","","","","has coordinates","196695","2020-10-21","18:00:00",""
"4032509","9.426","0.0019","11.425","0.002","13.494","0.003","83.39","0.03","72.61","0.03","71.28","0.03","1313.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Br Cl2 N3 O6 -","- C25 H24 Br Cl2 N3 O6 -","- C50 H48 Br2 Cl4 N6 O12 -","2","1","","Auria-Luna, Fernando; Marqués-López, Eugenia; Gimeno, M Concepción; Heiran, Roghayeh; Mohammadi, Somayeh; Herrera, Raquel P.","Asymmetric Organocatalytic Synthesis of Substituted Chiral 1,4-Dihydropyridine Derivatives.","The Journal of organic chemistry","2017","82","11","5516","5523","10.1021/acs.joc.7b00176","","","0.71073","MoKα","","0.0259","0.0228","","","0.0546","0.056","","","","","","1.031","","","","has coordinates","197468","2020-10-21","18:00:00",""
"4032510","11.9417","0.0007","19.9855","0.0012","13.5","0.0011","90","","114.978","0.001","90","","2920.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","triple[5]helicene","benzo[c]naphtho[2,1-l]phenanthro[3,4-g]chrysene","","- C43 H26 Cl2 -","- C43 H26 Cl2 -","- C172 H104 Cl8 -","4","1","","Saito, Hiromu; Uchida, Akira; Watanabe, Soichiro","Synthesis of a Three-Bladed Propeller-Shaped Triple [5]Helicene.","The Journal of organic chemistry","2017","82","11","5663","5668","10.1021/acs.joc.7b00486","","","0.71073","MoKα","","0.0835","0.0485","","","0.1075","0.1227","","","","","","1.019","","","","has coordinates","197469","2020-10-21","18:00:00",""
"4032511","28.8531","0.0006","28.8531","0.0006","10.2856","0.0002","90","","90","","90","","8562.8","0.3","200","2","200","2","","","","","","","","7","I 4","I 4","79","","","","- C38 H40 Cl N2 O2 Rh S -","- C38 H40 Cl N2 O2 Rh S -","- C304 H320 Cl8 N16 O16 Rh8 S8 -","8","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0724","0.0522","","","0.111","0.1212","","","","","","1.06","","","","has coordinates","197471","2020-10-21","18:00:00",""
"4032512","13.23","0.003","18.199","0.004","21.746","0.007","112.842","0.007","105.02","0.007","95.223","0.006","4551","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","1","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","0.71073","MoKα","","0.1431","0.1146","","","0.3334","0.3505","","","","","","2.389","","","","has coordinates,has disorder","197466","2020-10-21","18:00:00",""
"4032513","7.85","0.002","9.9","0.003","18.766","0.005","90","","90","","90","","1458.4","0.7","113","","113","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O Si -","- C16 H20 O Si -","- C64 H80 O4 Si4 -","4","1","","Koga, Shinya; Ueki, Shuhei; Shimada, Masaki; Ishii, Ryoma; Kurihara, Yu; Yamanoi, Yoshinori; Yuasa, Junpei; Kawai, Tsuyoshi; Uchida, Taka-Aki; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Access to Chiral Silicon Centers for Application to Circularly Polarized Luminescence Materials.","The Journal of organic chemistry","2017","82","12","6108","6117","10.1021/acs.joc.7b00583","","","0.7107","MoKα","","","0.0487","","","","0.1108","","","","","","1.055","","","","has coordinates","199587","2020-10-21","18:00:00",""
"4032514","13.1588","0.0018","13.1443","0.0018","19.143","0.003","90","","94.542","0.004","90","","3300.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C152 H96 Br8 N8 O32 -","8","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0748","0.0414","","","0.0973","0.1103","","","","","","1.017","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032515","7.8331","0.0019","11.78","0.003","12.011","0.003","82.353","0.004","82.268","0.004","73.792","0.004","1049.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Br Cl3 N O5 -","- C20 H15 Br Cl3 N O5 -","- C40 H30 Br2 Cl6 N2 O10 -","2","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0736","0.0438","","","0.1313","0.1494","","","","","","0.979","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032516","8.6175","0.0002","12.9014","0.0004","19.941","0.0007","90","","90","","90","","2217","0.12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O3 S2 -","- C23 H22 N2 O3 S2 -","- C92 H88 N8 O12 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0705","0.0474","","","0.106","0.1202","","","","","","1.069","","","","has coordinates","197005","2020-10-21","18:00:00",""
"4032517","8.7462","0.0002","12.0379","0.0003","17.0407","0.0005","90","","90","","90","","1794.15","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O S2 -","- C18 H25 N O S2 -","- C72 H100 N4 O4 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0677","0.0638","","","0.1529","0.157","","","","","","1.039","","","","has coordinates","197006","2020-10-21","18:00:00",""
"4032518","5.65117","0.00009","11.07138","0.00012","29.0073","0.0004","90","","90","","90","","1814.88","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 -","- C17 H29 N O4 -","- C68 H116 N4 O16 -","4","1","","Ruysbergh, Ewout; Van Hecke, Kristof; Stevens, Christian V.; De Kimpe, Norbert; Mangelinckx, Sven","Synthesis of 1,4-Oxazepane-2,5-diones via Cyclization of Rotationally Restricted Amino Acid Precursors and Structural Reassignment of Serratin.","The Journal of organic chemistry","2017","82","12","6210","6222","10.1021/acs.joc.7b00790","","x-ray","1.54184","CuKα","","0.0617","0.0531","","","0.1487","0.1624","","","","","","1.044","","","","has coordinates,has disorder","200714","2020-10-21","18:00:00",""
"4032519","16.0893","0.0015","13.5964","0.0011","7.3456","0.0008","90","","90.462","0.006","90","","1606.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl F N2 O7 -","- C14 H11 Cl F N2 O7 -","- C56 H44 Cl4 F4 N8 O28 -","4","1","","Moloney, Harold; Magnus, Nicholas A.; Buser, Jonas Y.; Embry, Matthew C.","Cyclization of Methyl-Coumalate-Derived Methyl 1-Benzamido-6-oxo-1,6-dihydropyridine-3-carboxylates: Assembly of the [1,2,4]Triazolo[1,5-a]pyridine Ring System.","The Journal of organic chemistry","2017","82","12","6279","6288","10.1021/acs.joc.7b00873","","","1.54178","CuKα","","0.1973","0.1824","","","0.4812","0.4891","","","","","","1.082","","","","has coordinates","200715","2020-10-21","18:00:00",""
"4032520","8.5498","0.0009","4.0298","0.0006","30.129","0.003","90","","96.739","0.004","90","","1030.9","0.2","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br N O5 S0 -","- C9 H8 Br N O5 -","- C36 H32 Br4 N4 O20 -","4","1","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.71073","MoKα","","","0.0791","","","0.2192","0.2303","","","","","","1.041","","","","has coordinates","197319","2020-10-21","18:00:00",""
"4032521","5.8996","0.0005","8.2125","0.0007","14.9493","0.0014","90","","92.622","0.003","90","","723.54","0.11","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","0.5","","Zhang, Jian; Lu, Xiunan; Li, Tingyan; Wang, Shanlu; Zhong, Guofu","Copper-Catalyzed Oxidative Cyclization of 2-Amino-azaarenes with Lignin Models: Synthesis of 3-Phenoxy Imidazo Heterocycles.","The Journal of organic chemistry","2017","82","10","5222","5229","10.1021/acs.joc.7b00480","","","0.71073","MoKα","","0.0988","0.0762","","","0.1748","0.1927","","","","","","1.045","","","","has coordinates,has disorder","197320","2020-10-21","18:00:00",""
"4032522","16.3855","0.0002","7.3631","0.00009","18.7465","0.0003","90","","90","","90","","2261.73","0.05","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0369","0.0306","","","0.0647","0.0667","","","","","","1.183","","","","has coordinates","197321","2020-10-21","18:00:00",""
"4032523","10.8211","0.0002","7.3341","0.0002","18.3161","0.0004","90","","101.919","0.002","90","","1422.28","0.06","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Smith, Robert J.; Nhu, Duong; Clark, Mitchell R.; Gai, Sinan; Lucas, Nigel T.; Hawkins, Bill C.","Synthesis of Chromones from 1,1-Diacylcyclopropanes: Toward the Synthesis of Bromophycoic Acid E.","The Journal of organic chemistry","2017","82","10","5317","5327","10.1021/acs.joc.7b00648","","","1.54184","CuKα","","0.0419","0.0401","","","0.1097","0.1117","","","","","","1.045","","","","has coordinates","197322","2020-10-21","18:00:00",""
"4032524","13.3138","0.0014","18.7196","0.0019","4.0464","0.0005","90","","90","","90","","1008.48","0.19","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.34139","GaKα","","0.059","0.0542","","","0.1391","0.1461","","","","","","1.094","","","","has coordinates","197323","2020-10-21","18:00:00",""
"4032525","11.1487","0.0005","13.6771","0.0007","15.266","0.0007","71.218","0.002","75.407","0.002","73.308","0.002","2078.07","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1112","0.0528","","","0.1119","0.1345","","","","","","1.016","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032526","10.93","0.004","14.661","0.005","14.878","0.005","90","","98.11","0.007","90","","2360.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1164","0.0763","","","0.1458","0.1623","","","","","","1.151","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032527","11.3","0.002","23.294","0.006","16.578","0.004","90","","94.778","0.008","90","","4348.5","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H49 N O3 -","- C53 H49 N O3 -","- C212 H196 N4 O12 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1145","0.0668","","","0.1354","0.1527","","","","","","1.072","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032528","10.3589","0.0005","17.6488","0.0006","36.7182","0.0015","90","","91.708","0.002","90","","6709.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 N O2 -","- C45 H33 N O2 -","- C360 H264 N8 O16 -","8","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1308","0.0758","","","0.1354","0.1575","","","","","","1.168","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032529","10.847","0.0007","7.3231","0.0005","13.5873","0.0009","90","","95.06","0.002","90","","1075.08","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C48 H50 Br2 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0657","0.0424","","","0.083","0.0926","","","","","","1.04","","","","has coordinates","197325","2020-10-21","18:00:00",""
"4032530","12.0769","0.0016","6.0438","0.0008","14.3621","0.0018","90","","112.912","0.004","90","","965.6","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0957","0.0523","","","0.0992","0.121","","","","","","1.037","","","","has coordinates","197326","2020-10-21","18:00:00",""
"4032531","8.2642","0.0002","8.2642","0.0002","59.668","0.004","90","","90","","90","","4075.1","0.3","294.3","0.1","294.3","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C192 H152 Cl8 O32 -","8","1","","Deng, Yu-Hua; Chu, Wen-Dao; Zhang, Xiang-Zhi; Yan, Xu; Yu, Ke-Yin; Yang, Liang-Liang; Huang, Hanmin; Fan, Chun-An","Cinchona Alkaloid Catalyzed Enantioselective [4 + 2] Annulation of Allenic Esters and in Situ Generated ortho-Quinone Methides: Asymmetric Synthesis of Functionalized Chromans.","The Journal of organic chemistry","2017","82","10","5433","5440","10.1021/acs.joc.7b00370","","","0.71073","MoKα","","0.0729","0.0565","","","0.1252","0.1365","","","","","","1.149","","","","has coordinates","197327","2020-10-21","18:00:00",""
"4032532","5.882","0.016","9","0.019","15.23","0.03","92.86","0.04","95.13","0.07","96.63","0.05","796","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C36 H38 N6 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0441","0.0401","","","0.0965","0.099","","","","","","1.069","","","","has coordinates","197328","2020-10-21","18:00:00",""
"4032533","7.5226","0.0013","8.7242","0.0015","10.8567","0.0019","70.464","0.003","74.325","0.003","73.849","0.003","632.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0619","0.0487","","","0.1146","0.1223","","","","","","1.038","","","","has coordinates","197329","2020-10-21","18:00:00",""
"4032534","10.1059","0.0005","17.653","0.0007","9.9226","0.0004","90","","112.424","0.005","90","","1636.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0501","0.0402","","","0.1035","0.1119","","","","","","1.041","","","","has coordinates","197330","2020-10-21","18:00:00",""
"4032535","9.8883","0.0007","16.9433","0.0011","17.7267","0.0012","89.88","0.004","76.345","0.004","89.937","0.004","2886","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C136 H136 N24 O8 -","8","8","","Mondal, Susmita; Samanta, Sadhanendu; Jana, Sourav; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Oxidative C-H Amination of Imidazopyridines at Ambient Temperature.","The Journal of organic chemistry","2017","82","8","4504","4510","10.1021/acs.joc.7b00564","","","0.71073","MoKα","","0.1948","0.091","","","0.2099","0.2778","","","","","","1.068","","","","has coordinates","197331","2020-10-21","18:00:00",""
"4032536","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Siegel, Dionicio","Synthetic Route Development for the Laboratory Preparation of Eupalinilide E.","The Journal of organic chemistry","2017","82","9","4640","4653","10.1021/acs.joc.7b00266","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","197332","2020-10-21","18:00:00",""
"4032537","8.9751","0.0004","17.186","0.0007","21.3036","0.0008","90","","90","","90","","3286","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br Cl3 F6 N2 O3 -","- C27 H34 Br Cl3 F6 N2 O3 -","- C108 H136 Br4 Cl12 F24 N8 O12 -","4","1","","Jin, Qiaowen; Zheng, Changwu; Zhao, Gang; Zou, Gang","Bifunctional Quaternary Ammonium Salts Catalyzed Stereoselective Conjugate Addition of Oxindoles to Electron-Deficient β-Haloalkenes.","The Journal of organic chemistry","2017","82","9","4840","4850","10.1021/acs.joc.7b00571","","","1.54178","CuKα","","0.0583","0.0514","","","0.1324","0.1387","","","","","","1.041","","","","has coordinates","197333","2020-10-21","18:00:00",""
"4032538","10.9526","0.0007","11.6626","0.001","29.56","0.002","90","","90","","90","","3775.9","0.5","102","3","102","3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","AKSIII_099","","- C15 H11 Br S -","- C15 H11 Br S -","- C180 H132 Br12 S12 -","12","3","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0842","0.0557","","","0.0797","0.0892","","","","","","0.998","","","","has coordinates","197334","2020-10-21","18:00:00",""
"4032539","5.3002","0.0002","15.1222","0.0007","10.5712","0.0005","90","","93.512","0.001","90","","845.7","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Awada, Hawraà; Grison, Claire M.; Charnay-Pouget, Florence; Baltaze, Jean-Pierre; Brisset, François; Guillot, Régis; Robin, Sylvie; Hachem, Ali; Jaber, Nada; Naoufal, Daoud; Yazbeck, Ogaritte; Aitken, David J.","Conformational Effects through Hydrogen Bonding in a Constrained γ-Peptide Template: From Intraresidue Seven-Membered Rings to a Gel-Forming Sheet Structure.","The Journal of organic chemistry","2017","82","9","4819","4828","10.1021/acs.joc.7b00494","","x-ray","0.71073","MoKα","","0.033","0.0298","","","0.0676","0.0695","","","","","","1.037","","","","has coordinates","197335","2020-10-21","18:00:00",""
"4032540","9.7004","0.0006","10.2894","0.0005","21.5422","0.0011","84.863","0.004","88.794","0.005","65.035","0.006","1941.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H70 Ni O2 P2 -","- C41 H70 Ni O2 P2 -","- C82 H140 Ni2 O4 P4 -","2","1","","Ding, Keying; Xu, Shi; Alotaibi, Rajeh; Paudel, Keshav; Reinheimer, Eric W.; Weatherly, Jessie","Nickel-Catalyzed Decarbonylation of Aromatic Aldehydes.","The Journal of organic chemistry","2017","82","9","4924","4929","10.1021/acs.joc.7b00284","","x-ray","0.71073","MoKα","","0.0747","0.0661","","","0.1847","0.1926","","","","","","1.025","","","","has coordinates,has disorder","197336","2020-10-21","18:00:00",""
"4032541","13.748","0.003","12.1123","0.0006","18.9","0.004","90","","142.47","0.04","90","","1917.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0808","0.0632","","","0.1568","0.1676","","","","","","1.07","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032542","7.57183","0.0001","14.7939","0.0002","16.2756","0.0003","90","","90","","90","","1823.14","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.094","0.1002","","","","","","1.029","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032543","13.0527","0.0006","11.2475","0.0005","13.2498","0.0006","90","","108.361","0.005","90","","1846.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0653","0.0488","","","0.137","0.1501","","","","","","1.121","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032544","9.6002","0.0003","13.5064","0.0006","14.3807","0.0007","91.541","0.004","90.982","0.003","93.835","0.003","1859.48","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","2","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0452","0.0374","","","0.0966","0.1041","","","","","","1.049","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032545","8.1841","0.0003","31.9088","0.0012","7.3248","0.0004","90","","90.232","0.004","90","","1912.82","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0712","0.0589","","","0.1616","0.1759","","","","","","1.039","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032546","7.5464","0.0007","9.5617","0.001","25.693","0.002","90","","90","","90","","1853.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0676","0.0558","","","0.1415","0.1527","","","","","","1.062","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032547","8.7575","0.0012","10.7101","0.0014","10.7153","0.0014","77.067","0.002","72.812","0.002","87.327","0.002","935.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C36 H40 Br2 N2 O8 -","2","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0632","0.045","","","0.0902","0.1143","","","","","","1.041","","","","has coordinates","197338","2020-10-21","18:00:00",""
"4032548","13.7908","0.0019","13.2366","0.0018","7.7897","0.0011","90","","100.818","0.002","90","","1396.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0728","0.0555","","","0.1168","0.127","","","","","","1.011","","","","has coordinates","197339","2020-10-21","18:00:00",""
"4032549","21.3227","0.0007","31.9115","0.0012","32.7689","0.0013","90","","90","","90","","22297.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C148 H144 N34 O14 Zn2 -","- C148 H144 N34 O14 Zn2 -","- C592 H576 N136 O56 Zn8 -","4","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","1.54178","CuKα","","0.0733","0.0556","","","0.1649","0.1737","","","","","","1.093","","","","has coordinates","197340","2020-10-21","18:00:00",""
"4032550","10.859","0.003","12.13","0.003","18.229","0.005","90","","90","","90","","2401.1","1.1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Man, Ning-Ning; Wang, Jia-Qi; Zhang, Li-Ming; Wen, Li-Rong; Li, Ming","Chemo-, Regio-, and Stereoselective Construction of Core Skeleton of Furo[2,3-b]pyrrole via Multicomponent Bicyclization Reaction.","The Journal of organic chemistry","2017","82","11","5566","5573","10.1021/acs.joc.7b00371","","","0.71073","MoKα","","0.0457","0.0424","","","0.0822","0.0838","","","","","","1.103","","","","has coordinates","197341","2020-10-21","18:00:00",""
"4032551","10.377","0.001","14.517","0.001","18.313","0.002","85.74","0.01","72.95","0.01","68.68","0.01","2455.4","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C79.63 H13.86 Cl0.77 F6 Li N O4 S2 -","- C79.626 H13.855 Cl0.771 F6 Li N O4 S2 -","- C159.252 H27.71 Cl1.542 F12 Li2 N2 O8 S4 -","2","1","","Okada, Hiroshi; Kawakami, Hiroki; Aoyagi, Shinobu; Matsuo, Yutaka","Crystallographic Structure Determination of Both [5,6]- and [6,6]-Isomers of Lithium-Ion-Containing Diphenylmethano[60]fullerene.","The Journal of organic chemistry","2017","82","11","5868","5872","10.1021/acs.joc.7b00730","","","0.41289","synchrotron","","0.066","0.0653","","","0.1823","0.1833","","","","","","1.077","","","","has coordinates,has disorder","197342","2020-10-21","18:00:00",""
"4032552","8.4064","0.0004","9.1017","0.0004","12.6039","0.0006","92.23","0.001","106.615","0.001","114.127","0.001","829.88","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Zhang, Dan; Kang, Zhenghui; Hu, Wenhao","Trapping of Transient Zwitterionic Intermediates by N-Acylpyridinium Salts: A Palladium-Catalyzed Diastereoselective Three-Component Reaction.","The Journal of organic chemistry","2017","82","11","5952","5958","10.1021/acs.joc.7b00560","","","0.71073","MoKα","","0.0945","0.0875","","","0.2346","0.2555","","","","","","1.152","","","","has coordinates","197343","2020-10-21","18:00:00",""
"4032553","9.8783","0.0011","19.628","0.002","20.062","0.002","90","","100.649","0.002","90","","3822.9","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C200 H144 N16 -","8","1","","Zhu, Yan-Shuo; Yuan, Bei-Bei; Guo, Jiao-Mei; Jin, Shao-Jing; Dong, Hua-Hui; Wang, Qi-Lin; Bu, Zhan-Wei","A Copper-Catalyzed Friedel-Crafts Alkylation/Cyclization Sequence: an Approach to Functionalized Pyrrolo[1,2-a]indole Spirooxindoles and 9H-Pyrrolo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","11","5669","5677","10.1021/acs.joc.7b00488","","","0.71073","MoKα","","0.0746","0.0426","","","0.1035","0.1207","","","","","","1.017","","","","has coordinates","197344","2020-10-21","18:00:00",""
"4032554","10.9997","0.0005","25.0507","0.0012","13.0048","0.0006","90","","112.42","0.003","90","","3312.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N6 O8 -","- C84 H80 N6 O8 -","- C168 H160 N12 O16 -","2","0.5","","Jarvis, Tia S.; Collins, Carleton G.; Dempsey, Janel M.; Oliver, Allen G.; Smith, Bradley D.","Synthesis and Structure of 3,3-Dimethylindoline Squaraine Rotaxanes.","The Journal of organic chemistry","2017","82","11","5819","5825","10.1021/acs.joc.7b00655","","","1.54184","CuKα","","0.0896","0.0779","","","0.2227","0.2358","","","","","","1.028","","","","has coordinates,has disorder","197345","2020-10-21","18:00:00",""
"4032555","19.7868","0.0003","19.7868","0.0003","10.0428","0.0003","90","","90","","90","","3931.93","0.14","130","","130","","","","","","","","","4","I -4","I -4","82","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Schlegel, Marcel; Schneider, Christoph","Lewis Acid-Catalyzed Nucleophilic Addition of Indoles to in Situ-Generated 2-Amidoallyl Cations.","The Journal of organic chemistry","2017","82","11","5986","5992","10.1021/acs.joc.7b00791","","","0.71073","MoKα","","0.0638","0.0475","","","0.0794","0.0841","","","","","","1.081","","","","has coordinates","197346","2020-10-21","18:00:00",""
"4032556","14.2252","0.0008","17.5063","0.0011","19.1686","0.0011","90","","90","","90","","4773.6","0.5","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl10 F N2 O2 Rh S -","- C40 H40 Cl10 F N2 O2 Rh S -","- C160 H160 Cl40 F4 N8 O8 Rh4 S4 -","4","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0604","0.049","","","0.1332","0.1417","","","","","","1.03","","","","has coordinates,has disorder","197347","2020-10-21","18:00:00",""
"4032557","8.325","0.003","11.876","0.004","14.568","0.005","82.969","0.012","82.6","0.011","77.932","0.011","1390","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 Cl2 N5 O4 -","- C27 H37 Cl2 N5 O4 -","- C54 H74 Cl4 N10 O8 -","2","1","","Kheria, Sanjeev; Rayavarapu, Suresh; Kotmale, Amol S.; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, Gangadhar J.","Coumarin-Appended Stable Fluorescent Self-Complementary Quadruple-Hydrogen-Bonded Molecular Duplexes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01249","","","0.71073","MoKα","","0.2252","0.1561","","","0.3956","0.4386","","","","","","1.406","","","","has coordinates,has disorder","197583","2020-10-21","18:00:00",""
"4032558","8.032","0.002","6.421","0.002","19.345","0.004","90","0.03","96.34","0.03","90","0.03","991.6","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C44 H44 N12 -","4","1","","Peterson, Joshua P.; Geraskina, Margarita R.; Zhang, Rui; Winter, Arthur H.","Effect of Substituents on the Bond Strength of Air-Stable Dicyanomethyl Radical Thermochromes.","The Journal of organic chemistry","2017","82","12","6497","6501","10.1021/acs.joc.7b01188","","","1.54184","","","0.0328","0.0317","","","0.0865","0.0876","","","","","","1.045","","","","has coordinates","200710","2020-10-21","18:00:00",""
"4032559","15.3912","0.0006","5.576","0.003","18.214","","90","0.012","92.26","","90","","1561.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","1","","Kumar, Pradeep; Aggarwal, Trapti; Verma, Akhilesh K.","Chemoselective Azidation of o-Alkynylaldehydes over [3 + 2] Cycloaddition and Subsequent Staudinger Reaction: Access to Benzonaphthyridines/Naphthyridines.","The Journal of organic chemistry","2017","82","12","6388","6397","10.1021/acs.joc.7b01016","","","0.71073","MoKα","","0.2081","0.0774","","","0.1377","0.1911","","","","","","0.916","","","","has coordinates","200713","2020-10-21","18:00:00",""
"4032560","17.3","0.004","7.8692","0.001","16.258","0.003","90","","117.18","0.03","90","","1968.9","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","1","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","0.71073","MoKα","","0.1646","0.0743","","","0.1715","0.259","","","","","","1.079","","","","has coordinates","200709","2020-10-21","18:00:00",""
"4032561","9.9156","0.0016","12.085","0.002","12.04","0.002","90","","112.791","0.003","90","","1330.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0733","0.0528","","","0.1356","0.1438","","","","","","0.953","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032562","14.851","0.003","6.8378","0.0012","13.732","0.002","90","","109.703","0.003","90","","1312.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0633","0.0503","","","0.1531","0.1694","","","","","","1.049","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032563","6.3659","0.0005","8.72","0.0007","10.5934","0.0008","89.053","0.006","73.759","0.005","73.554","0.005","540.23","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C24 H38 N2 O4 -","2","1","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0836","0.0569","","","0.1469","0.1632","","","","","","1.02","","","","has coordinates","200712","2020-10-21","18:00:00",""
"4032564","14.847","0.019","5.161","0.007","51.87","0.07","90","","91.829","0.013","90","","3973","9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F9 N O -","- C13 H6 F9 N O -","- C156 H72 F108 N12 O12 -","12","3","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.1596","0.0911","","","0.2177","0.2684","","","","","","1.005","","","","has coordinates","200707","2020-10-21","18:00:00",""
"4032565","8.649","0.002","11.121","0.003","14.546","0.004","90","","94.976","0.007","90","","1393.8","0.6","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H29 N3 O6 -","- C32 H29 N3 O6 -","- C64 H58 N6 O12 -","2","1","","Selva, Verónica; Larrañaga, Olatz; Castelló, Luis M; Nájera, Carmen; Sansano, José M; de Cózar, Abel","Diastereoselective [3 + 2] vs [4 + 2] Cycloadditions of Nitroprolinates with α,β-Unsaturated Aldehydes and Electrophilic Alkenes: An Example of Total Periselectivity.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00903","","","0.71073","MoKα","","0.2005","0.0662","","","0.1009","0.1389","","","","","","0.919","","","","has coordinates","197653","2020-10-21","18:00:00",""
"4032566","11.2228","0.0008","12.8435","0.0008","12.8455","0.0009","83.167","0.005","66.229","0.007","64.19","0.007","1521.8","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0702","0.0534","","","0.1257","0.1343","","","","","","1.049","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032567","9.2055","0.0003","8.1914","0.0002","20.5255","0.0005","90","","100.576","0.003","90","","1521.45","0.07","144","1","144","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C72 H72 N4 O16 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0489","0.0439","","","0.1161","0.1227","","","","","","1.043","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032568","8.9497","0.0003","42.7991","0.0018","11.4651","0.0004","90","","107.31","0.004","90","","4192.7","0.3","147","1","147","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H48 N2 O9 S2 -","- C47 H48 N2 O9 S2 -","- C188 H192 N8 O36 S8 -","4","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0769","0.0728","","","0.181","0.184","","","","","","1.084","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032569","9.2344","0.0006","12.8639","0.0008","12.9355","0.0009","98.362","0.005","105.308","0.006","103.305","0.006","1407.09","0.18","161","1","161","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C64 H60 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0588","0.0455","","","0.1209","0.1323","","","","","","1.034","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032570","9.4911","0.0002","13.2075","0.0002","15.3206","0.0003","90","","94.468","0.001","90","","1914.66","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N4 O10 S2 -","- C42 H34 N4 O10 S2 -","- C84 H68 N8 O20 S4 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0727","0.0436","","","0.0942","0.1084","","","","","","1.014","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032571","18.9139","0.0002","14.1757","0.0002","17.3955","0.0002","90","","93.736","0.001","90","","4654.13","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C240 H208 O32 -","8","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0848","0.0466","","","0.0995","0.1237","","","","","","0.929","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032572","12.3737","0.0004","23.7481","0.0006","14.264","0.0004","90","","91.626","0.002","90","","4189.8","0.2","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 N2 O6 S2 -","- C45 H42 Cl2 N2 O6 S2 -","- C180 H168 Cl8 N8 O24 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0655","0.0543","","","0.1553","0.1649","","","","","","1.07","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032573","8.6815","0.0003","31.3302","0.0011","11.5111","0.0004","90","","105.121","0.003","90","","3022.54","0.19","144","3","144","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C144 H144 N8 O32 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0503","0.0393","","","0.0929","0.0977","","","","","","1.098","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032574","9.2754","0.0005","20.029","0.001","17.8817","0.0009","90","","99.343","0.002","90","","3277.9","0.3","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 Li2 N2 O2 Si4 -","- C22 H56 Li2 N2 O2 Si4 -","- C88 H224 Li8 N8 O8 Si16 -","4","1","","Tai, Onkei; Hopson, Russell; Williard, Paul G.","Ligand Binding Constants to Lithium Hexamethyldisilazide (LiHMDS) Determined by Diffusion-ordered NMR Spectroscopy (DOSY).","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00800","","","0.71073","MoKα","","0.0794","0.0473","","","0.0963","0.1091","","","","","","1.0602","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032575","8.1568","0.0001","10.0681","0.0006","11.0261","0.0004","63.31","0.03","68.71","0.03","66.74","0.03","724","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0601","0.0566","","","0.1531","0.1545","","","","","","1.172","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032576","8.1443","0.0016","18.723","0.004","14.403","0.003","90","","98.79","0.03","90","","2170.5","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N4 O8 -","- C52 H48 N4 O8 -","- C104 H96 N8 O16 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.035","0.0334","","","0.0855","0.0866","","","","","","1.04","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032577","10.48005","0.00013","24.7093","0.0003","12.42655","0.00018","90","","112.802","0.0016","90","","2966.42","0.08","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N5 O4 -","- C33 H31 N5 O4 -","- C132 H124 N20 O16 -","4","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0356","0.0325","","","0.0831","0.0856","","","","","","1.023","","","","has coordinates,has disorder","197742","2020-10-21","18:00:00",""
"4032578","6.5282","0.0004","14.5999","0.0011","14.9551","0.001","111.076","0.007","99.361","0.005","92.468","0.005","1304.31","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N5 O5 -","- C27 H29 N5 O5 -","- C54 H58 N10 O10 -","2","2","","Chauhan, Pankaj; Mahajan, Suruchi; Kaya, Ugur; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter","Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01113","","x-ray","1.54184","CuKα","","0.0528","0.0403","","","0.0898","0.0963","","","","","","1.031","","","","has coordinates","197743","2020-10-21","18:00:00",""
"4032579","10.119","0.002","11.447","0.002","16.905","0.003","76.716","0.004","84.104","0.004","75.228","0.004","1840.7","0.6","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","2","","Mao, Xiao-Feng; Zhu, Xiao-Ping; Li, Deng-Yuan; Liu, Pei-Nian","Cu-Catalyzed Cascade Annulation of Alkynols with 2-Azidobenzaldehydes: Access to 6H-Isochromeno[4,3-c]quinoline.","The Journal of organic chemistry","2017","82","13","7032","7039","10.1021/acs.joc.7b00937","","","0.71073","MoKα","","0.099","0.0633","","","0.1818","0.2121","","","","","","1.039","","","","has coordinates","200687","2020-10-21","18:00:00",""
"4032580","8.5801","0.0007","10.7907","0.0009","27.2","0.003","90","","93.515","0.001","90","","2513.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O4 S -","- C30 H22 Cl N O4 S -","- C120 H88 Cl4 N4 O16 S4 -","4","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Liu, Feng; Hao, Wen-Juan; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Radical Deaminative ipso-Cyclization of 4-Methoxyanilines with 1,7-Enynes for Accessing Spirocyclohexadienone-Containing Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2017","82","13","6621","6628","10.1021/acs.joc.7b00704","","","0.71073","MoKα","","0.26","0.0851","","","0.1098","0.1364","","","","","","0.91","","","","has coordinates","200680","2020-10-21","18:00:00",""
"4032581","10.7534","0.0005","10.9377","0.0005","10.9416","0.0005","89.154","0.003","62.158","0.002","85.36","0.002","1133.83","0.09","150","1","150","1","","","","","","","","4","P -1","-P 1","2","rl022","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","","Salvant, Justin Michael; Edwards, Anne Victoria; Kurek, Daniel Zachary; Looper, Ryan E.","Regioselective base-mediated cyclizations of mono-N-acylpropargylguanadines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00639","","","0.71073","MoKα","","0.0453","0.0375","","","0.0913","0.0977","","","","","","1.028","","","","has coordinates","197861","2020-10-21","18:00:00",""
"4032582","10.3646","0.0006","18.3605","0.001","25.0181","0.0015","90","","90","","90","","4760.9","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C192 H256 N16 O32 -","8","2","","Seo, Min-Seob; Sun, Daeyoung; Kim, Hyunwoo","Stereoselective Chiral Recognition of Amino Alcohols with 2,2'-Dihydroxybenzil.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00600","","","1.54178","CuKα","","0.0294","0.029","","","0.0755","0.076","","","","","","1.046","","","","has coordinates","197862","2020-10-21","18:00:00",""
"4032583","9.9808","0.0006","19.662","0.0008","11.5438","0.0007","90","","90.534","0.006","90","","2265.3","0.2","293.6","0.4","293.6","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O7 -","- C24 H28 O7 -","- C96 H112 O28 -","4","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.1043","0.058","","","0.1309","0.161","","","","","","1.051","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032584","11.325","0.002","11.6605","0.0019","11.833","0.002","67.547","0.016","63.377","0.019","67.27","0.019","1246.5","0.4","289.69","0.1","289.69","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O5 S -","- C26 H28 Br N O5 S -","- C52 H56 Br2 N2 O10 S2 -","2","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.0931","0.0534","","","0.0995","0.1176","","","","","","1.057","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032585","6.6306","0.0009","40.05","0.006","7.2452","0.001","90","","114.048","0.002","90","","1757","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 S -","- C18 H21 N O5 S -","- C72 H84 N4 O20 S4 -","4","1","","Anugu, Raghunath Reddy; Chegondi, Rambabu","Tunable Diastereoselective Desymmetrization of Cyclohexadienones Triggered by Copper-Catalyzed Three-Component Coupling Reaction.","The Journal of organic chemistry","2017","82","13","6786","6794","10.1021/acs.joc.7b00936","","","0.71073","MoKα","","0.0854","0.0791","","","0.1655","0.1688","","","","","","1.285","","","","has coordinates","200686","2020-10-21","18:00:00",""
"4032586","13.157","0.003","8.3944","0.0017","17.171","0.003","90","","90.06","0.03","90","","1896.5","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N O P -","- C25 H18 N O P -","- C100 H72 N4 O4 P4 -","4","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0723","0.0635","","","0.1444","0.1495","","","","","","1.134","","","","has coordinates","200685","2020-10-21","18:00:00",""
"4032587","20.772","0.002","7.4286","0.0008","18.5851","0.0017","90","","90","","90","","2867.8","0.5","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.1256","0.0908","","","0.2756","0.3111","","","","","","1.049","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032588","11.399","0.002","11.51","0.002","19.44","0.004","74.294","0.004","85.627","0.005","65.942","0.004","2240.4","0.7","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 F O2 -","- C30 H25 F O2 -","- C120 H100 F4 O8 -","4","2","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0781","0.0469","","","0.0968","0.1123","","","","","","1.017","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4032589","7.0295","0.0006","9.8296","0.0008","11.707","0.0009","101.647","0.005","105.413","0.005","103.993","0.005","725.41","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0935","0.0596","","","0.1507","0.1873","","","","","","1.131","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032590","7.624","0.0007","23.566","0.002","8.4581","0.0007","90","","93.5","0.005","90","","1516.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0531","0.0399","","","0.1131","0.1345","","","","","","1.108","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032591","8.1071","0.0006","9.3064","0.0007","22.2481","0.0017","90","","90","","90","","1678.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F O2 -","- C20 H21 F O2 -","- C80 H84 F4 O8 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0483","0.0402","","","0.1101","0.1287","","","","","","1.104","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032592","5.4384","0.0009","7.1721","0.0012","22.371","0.003","90","","94.674","0.009","90","","869.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0554","0.0469","","","0.1252","0.1431","","","","","","1.13","","","","has coordinates,has disorder","199583","2020-10-21","18:00:00",""
"4032593","8.748","0.0006","24.241","0.0013","9.1766","0.0006","90","","118.248","0.002","90","","1714.24","0.19","297.1","","297","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 Br N2 -","- C17 H25 Br N2 -","- C68 H100 Br4 N8 -","4","1","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.7107","MoKα","","","0.0492","","","","0.06","","","","","","1.063","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032594","7.727","0.004","10.325","0.005","12.026","0.005","103.002","0.005","102.154","0.005","102.174","0.005","879.7","0.7","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","1","0.5","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.71073","MoKα","","0.1236","0.0883","","","0.2218","0.2454","","","","","","1.081","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032595","8.51","0.0008","11.4993","0.001","12.8103","0.0011","86.11","0.003","72.9","0.003","79.733","0.003","1178.84","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F2 O3 Si2 -","- C26 H28 F2 O3 Si2 -","- C52 H56 F4 O6 Si4 -","2","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.03","0.0287","","","0.0812","0.082","","","","","","1.059","","","","has coordinates","200681","2020-10-21","18:00:00",""
"4032596","8.843","0.004","16.849","0.008","14.023","0.004","90","","104.22","0.011","90","","2025.3","1.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I N O5 S -","- C20 H18 I N O5 S -","- C80 H72 I4 N4 O20 S4 -","4","1","","Raji Reddy, Chada; Ranjan, Ravi; Prajapti, Santosh Kumar; Warudikar, Kamalkishor","One-Pot Consecutive Sulfonamidation/ipso-Cyclization Strategy for the Construction of Azaspirocyclohexadienones.","The Journal of organic chemistry","2017","82","13","6932","6939","10.1021/acs.joc.7b01285","","","0.71073","MoKα","","0.0356","0.0313","","","0.0794","0.0825","","","","","","1.095","","","","has coordinates","200688","2020-10-21","18:00:00",""
"4032597","10.0406","0.0005","11.206","0.0005","17.3743","0.0009","90","","101.078","0.003","90","","1918.44","0.16","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.048","0.0399","","","0.1172","0.1225","","","","","","1.31","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032598","8.417","0.002","8.741","0.002","11.876","0.003","101.49","0.004","100.828","0.004","94.569","0.003","834.8","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O S -","- C21 H14 N2 O S -","- C42 H28 N4 O2 S2 -","2","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.1046","0.0519","","","0.1137","0.1348","","","","","","0.927","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032599","16.978","0.005","11.307","0.003","18.072","0.005","90","","100.741","0.015","90","","3408.5","1.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.0987","0.0708","","","0.1921","0.227","","","","","","1.2877","","","","has coordinates","199584","2020-10-21","18:00:00",""
"4032600","9.618","0.0008","9.7192","0.0008","16.7262","0.0013","90","","98.072","0.007","90","","1548.1","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Sasaki, Shunsuke; Suzuki, Satoshi; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","The K-Region in Pyrenes as a Key Position to Activate Aggregation-Induced Emission: Effects of Introducing Highly Twisted N,N-Dimethylamines.","The Journal of organic chemistry","2017","82","13","6865","6873","10.1021/acs.joc.7b00996","","","1.54187","CuKα","","0.1056","0.0912","","","0.3098","0.3294","","","","","","1.06","","","","has coordinates","200689","2020-10-21","18:00:00",""
"4032601","7.369","0.005","7.894","0.005","10.285","0.005","80.949","0.005","79.134","0.005","78.079","0.005","570.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H5 F5 N2 O -","- C13 H5 F5 N2 O -","- C26 H10 F10 N4 O2 -","2","1","","Savva, Anastasia C.; Mirallai, Styliana I.; Zissimou, Georgia A.; Berezin, Andrey A.; Demetriades, Marina; Kourtellaris, Andreas; Constantinides, Christos P.; Nicolaides, Constantinos; Trypiniotis, Theodossis; Koutentis, Panayiotis A.","Preparation of Blatter Radicals via Aza-Wittig Chemistry: The Reaction of N Aryliminophosphoranes with 1-(Het)aroyl-2-aryldiazenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01297","","","0.71069","MoKα","","0.0666","0.0484","","","0.1076","0.1242","","","","","","1.042","","","","has coordinates","198264","2020-10-21","18:00:00",""
"4032602","8.0176","0.0009","10.8219","0.0013","15.3565","0.0018","90","","90","","90","","1332.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diol","Bislactone","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Datta, Ritabrata; Ghosh, Subrata","Total synthesis of the marine polyketide (-)-gracilioether F.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01179","","","0.71073","MoKα","","0.0388","0.0314","","","0.0686","0.0725","","","","","","1.046","","","","has coordinates","198265","2020-10-21","18:00:00",""
"4032603","8.293","0.001","11.225","0.002","14.319","0.002","90","","102.805","0.002","90","","1299.8","0.3","103","1","103","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.0526","0.0507","","","0.1193","0.1207","","","","","","1.111","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032604","8.082","0.001","12.55","0.002","13.607","0.002","90","","90","","90","","1380.1","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.042","0.0404","","","0.1006","0.1025","","","","","","1.051","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032605","9.0377","0.0007","13.8122","0.001","14.1416","0.0009","65.188","0.002","77.413","0.002","86.05","0.003","1563.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N O10 S2 -","- C32 H33 N O10 S2 -","- C64 H66 N2 O20 S4 -","2","1","","B. Manjappa, Kiran; Lin, Jhih-Min; Yang, Ding-Yah","Construction of Pentacyclic Lamellarin Skeleton via Grob Reaction: Application to Total Synthesis of Lamellarins H and D","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01061","","x-ray","0.71073","MoKα","","0.0936","0.0642","","","0.1659","0.1822","","","","","","1.071","","","","has coordinates,has disorder","198290","2020-10-21","18:00:00",""
"4032606","9.7304","0.0004","23.2942","0.0009","11.4896","0.0004","90","","105.681","0.0017","90","","2507.32","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N O6 -","- C33 H25 N O6 -","- C132 H100 N4 O24 -","4","1","","B. Manjappa, Kiran; Lin, Jhih-Min; Yang, Ding-Yah","Construction of Pentacyclic Lamellarin Skeleton via Grob Reaction: Application to Total Synthesis of Lamellarins H and D","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01061","","x-ray","0.71073","MoKα","","0.0681","0.0515","","","0.1207","0.1307","","","","","","1.052","","","","has coordinates","198291","2020-10-21","18:00:00",""
"4032608","24.9098","0.0006","14.0779","0.0004","14.5291","0.0003","90","","103.643","0.002","90","","4951.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Br2 N3 O4 -","- C25 H23 Br2 N3 O4 -","- C200 H184 Br16 N24 O32 -","8","1","","González, Juan F; Rocchi, Damiano; Tejero, Tomás; Merino, Pedro; Menéndez, J Carlos","One-Pot Synthesis of Functionalized Carbazoles via a CAN-Catalyzed Multicomponent Process Comprising a C-H Activation Step.","The Journal of organic chemistry","2017","82","14","7492","7502","10.1021/acs.joc.7b01199","","","1.54178","CuKα","","0.0751","0.0469","","","0.1147","0.1306","","","","","","1.031","","","","has coordinates","200693","2020-10-21","18:00:00",""
"4032609","14.2417","0.0007","10.5901","0.0005","25.0529","0.0013","90","","92.0537","0.0008","90","","3776.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 N2 O4 -","- C48 H44 N2 O4 -","- C192 H176 N8 O16 -","4","1","","Wang, Chuan-Zeng; Ichiyanagi, Hisashi; Sakaguchi, Koya; Feng, Xing; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-Based Approach to Tune Emission Color from Blue to Yellow.","The Journal of organic chemistry","2017","82","14","7176","7182","10.1021/acs.joc.7b00685","","","0.71073","MoKα","","0.0708","0.0546","","","0.149","0.1648","","","","","","1.035","","","","has coordinates,has disorder","200694","2020-10-21","18:00:00",""
"4032610","25.7192","0.0016","9.835","0.0007","21.2755","0.0015","90","","120.041","0.002","90","","4658.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cl N2 O1.5 -","- C23 H29 Cl N2 O1.5 -","- C184 H232 Cl8 N16 O12 -","8","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.0965","0.0636","","","0.1721","0.1925","","","","","","1.025","","","","has coordinates","200697","2020-10-21","18:00:00",""
"4032611","9.2129","0.0007","16.459","0.0013","19.8551","0.0016","107.842","0.0014","98.547","0.0014","98.6723","0.0013","2771.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H25 Cl O4 -","- C38.5 H25 Cl O4 -","- C154 H100 Cl4 O16 -","4","2","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0786","0.0497","","","0.1169","0.1319","","","","","","1.023","","","","has coordinates,has disorder","200699","2020-10-21","18:00:00",""
"4032612","10.6484","0.0004","33.8001","0.0013","7.8681","0.0003","90","","109.035","0.0014","90","","2677.01","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O5 -","- C36 H24 O5 -","- C144 H96 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0626","0.0458","","","0.1188","0.1299","","","","","","1.042","","","","has coordinates","200699","2020-10-21","18:00:00",""
"4032613","8.1248","0.0008","21.0141","0.0018","11.2657","0.0011","90","","99.032","0.003","90","","1899.6","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C104 H112 -","4","1","","Álvarez-Pérez, Mónica; Frutos, María; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold(I)-Catalyzed Cycloisomerization-Dimerization Cascade of Benzene-Tethered 1,6-Enynes.","The Journal of organic chemistry","2017","82","14","7546","7554","10.1021/acs.joc.7b01273","","","0.71073","MoKα","","0.0961","0.0496","","","0.1002","0.1174","","","","","","1.018","","","","has coordinates","199585","2020-10-21","18:00:00",""
"4032614","7.5298","0.0018","9.348","0.002","21.33","0.005","90","","97.807","0.005","90","","1487.5","0.6","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F2 O4 -","- C16 H16 F2 O4 -","- C64 H64 F8 O16 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","0.71073","MoKα","","0.0769","0.0507","","","0.1366","0.156","","","","","","1.037","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032615","8.2959","0.0002","8.2959","0.0002","45.7622","0.0011","90","","90","","90","","3149.44","0.13","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0343","0.0318","","","0.076","0.0774","","","","","","1.073","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032616","8.2655","0.0002","8.2655","0.0002","45.8542","0.0013","90","","90","","90","","3132.69","0.14","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0458","0.0438","","","0.118","0.1201","","","","","","1.069","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032617","12.3744","0.0002","17.1213","0.0004","7.8002","0.0002","90","","98.987","0.001","90","","1632.31","0.06","173.1","","173.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 O3 -","- C19 H16 F3 O3 -","- C76 H64 F12 O12 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0516","0.0489","","","0.1452","0.1492","","","","","","1.045","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032618","10.233","0.002","11.859","0.002","12.572","0.003","103.61","0.03","95.99","0.03","96.67","0.03","1459","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Cl2 O2 -","- C39 H30 Cl2 O2 -","- C78 H60 Cl4 O4 -","2","1","","Fang, Lei; Li, Meng; Lin, Wei-Bin; Shen, Yun; Chen, Chuan-Feng","Synthesis, Structures, and Photophysical Properties of Optically Stable 1,16-Diphenyl-3,14-diaryl-Substituted Tetrahydrobenzo[5]helicenediol Derivatives: Enantioselective Recognition toward Tryptophan Methyl Esters.","The Journal of organic chemistry","2017","82","14","7402","7409","10.1021/acs.joc.7b01087","","","0.71073","MoKα","","0.1445","0.1211","","","0.3053","0.3223","","","","","","1.152","","","","has coordinates,has disorder","200691","2020-10-21","18:00:00",""
"4032619","15.8256","0.0002","16.314","0.0002","29.6844","0.0003","90","","90","","90","","7663.88","0.16","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H37 N5 O2 S2 Zn -","- C46 H37 N5 O2 S2 Zn -","- C368 H296 N40 O16 S16 Zn8 -","8","2","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","0.71073","MoKα","","0.0407","0.0336","","0.0757","0.0706","0.0757","","","","","","1","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032620","20.7707","0.0001","12.2277","0.0001","15.6407","0.0001","90","","90","","90","","3972.39","0.05","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H39 N5 O2 S2 Zn -","- C47 H39 N5 O2 S2 Zn -","- C188 H156 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0269","0.0254","","0.0678","0.0652","0.0678","","","","","","1.0008","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032621","9.1845","0.0006","49.152","0.006","9.3517","0.0006","90","","92.324","0.005","90","","4218.2","0.6","300","","300","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C196 H172 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.119","0.1028","","0.2579","0.2467","0.2579","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032622","12.1123","0.0002","25.4859","0.0005","31.6032","0.0007","90","","90","","90","","9755.7","0.3","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C392 H344 N40 O16 S16 Zn8 -","8","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.0671","0.0488","","0.1302","0.1157","0.1297","","","","","","1.0486","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032623","8.6098","0.0002","14.9172","0.0003","16.4216","0.0004","84.6169","0.0018","83.504","0.0018","81.8061","0.0018","2067.68","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H35 Br2 N5 O2 S2 Zn -","- C46 H35 Br2 N5 O2 S2 Zn -","- C92 H70 Br4 N10 O4 S4 Zn2 -","2","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0295","0.0269","","0.0713","0.0693","0.0713","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4032624","8.4714","0.0001","12.5943","0.0003","21.8373","0.0004","92.5573","0.0017","96.0799","0.0015","98.6538","0.0015","2286.02","0.07","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Br2 Cl3 N5 O2 S2 Zn -","- C48 H38 Br2 Cl3 N5 O2 S2 Zn -","- C96 H76 Br4 Cl6 N10 O4 S4 Zn2 -","2","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0377","0.0362","","0.0992","0.0976","0.0992","","","","","","1.0045","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032625","29.0785","0.0001","15.1984","0.0001","24.2182","0.0002","90","","123.5","0.0003","90","","8925.18","0.1","150","","150","","","","0","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 Br2 N5 O2 S2 Zn -","- C49 H41 Br2 N5 O2 S2 Zn -","- C392 H328 Br16 N40 O16 S16 Zn8 -","8","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","0.71073","MoKα","","0.0464","0.0347","","0.0802","0.0718","0.0802","","","","","","1","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032626","6.716","0.0005","12.7198","0.0009","15.1029","0.0011","90","","93.274","0.004","90","","1288.08","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.0748","0.0556","","","0.1318","0.1419","","","","","","1.031","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032627","13.8806","0.0007","8.3368","0.0004","10.7495","0.0005","90","","106.976","0.002","90","","1189.73","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.047","0.0385","","","0.0953","0.1004","","","","","","1.089","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032628","7.047","0.003","13.916","0.005","14.573","0.005","90","","92.186","0.006","90","","1428.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 B F2 N2 -","- C19 H13 B F2 N2 -","- C76 H52 B4 F8 N8 -","4","1","","Golden, Jessica H.; Facendola, John W.; Sylvinson, Daniel; Baez, Cecilia Quintana; Djurovich, Peter I.; Thompson, Mark E.","Boron dipyridylmethene (DIPYR) dyes: shedding light on pyridine-based chromophores.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00786","","","0.71073","MoKα","","0.0836","0.0499","","","0.1214","0.1391","","","","","","1.011","","","","has coordinates","198650","2020-10-21","18:00:00",""
"4032629","5.8786","0.0008","15.347","0.002","17.938","0.002","90","","90","","90","","1618.3","0.4","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Br N O2 S -","- C14 H20 Br N O2 S -","- C56 H80 Br4 N4 O8 S4 -","4","1","","Lahosa, Alejandro; Soler, Tatiana; Arrieta, Ana; Cossio, Fernando P.; Foubelo, Francisco; Yus, Miguel","Stereoselective Coupling of N-tert-Butanesulfinyl Aldimines and β-Keto Acids: Access to β-Amino Ketones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01178","","","0.71073","MoKα","","0.0407","0.0284","","","0.0583","0.0611","","","","","","0.915","","","","has coordinates","198651","2020-10-21","18:00:00",""
"4032630","11.538","0.0004","7.1373","0.0003","13.3704","0.0005","90","","105.677","0.004","90","","1060.1","0.07","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cu F6 N3 P -","- C18 H25 Cu F6 N3 P -","- C36 H50 Cu2 F12 N6 P2 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0381","0.0347","","","0.0937","0.0971","","","","","","1.067","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032631","7.7369","0.0004","12.5096","0.0006","13.5497","0.0005","100.056","0.003","95.648","0.004","100.226","0.004","1259.37","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cu F6 N2 O8 S2 -","- C18 H26 Cu F6 N2 O8 S2 -","- C36 H52 Cu2 F12 N4 O16 S4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0748","0.0528","","","0.1231","0.1291","","","","","","0.99","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032632","6.82057","0.00013","11.84181","0.00017","43.3692","0.0007","90","","90","","90","","3502.84","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Cu F6 N3 O2 P -","- C32 H51 Cu F6 N3 O2 P -","- C128 H204 Cu4 F24 N12 O8 P4 -","4","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0414","0.0386","","","0.104","0.1063","","","","","","1.04","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032633","12.91725","0.0001","17.87891","0.00015","22.3041","0.0002","90","","102.634","0.0008","90","","5026.33","0.07","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52.56 H73.11 Cu F6 N4 O2.85 P -","- C52.556 H73.112 Cu F6 N4 O2.852 P -","- C210.224 H292.448 Cu4 F24 N16 O11.408 P4 -","4","2","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0379","0.036","","","0.096","0.0979","","","","","","1.031","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032634","12.5445","0.0012","11.1792","0.0007","20.415","0.002","90","","107.466","0.008","90","","2731","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N4 O4 S3 -","- C26 H30 N4 O4 S3 -","- C104 H120 N16 O16 S12 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.1643","0.0709","","","0.159","0.2159","","","","","","1.013","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032635","10.9341","0.0019","11.8693","0.0018","11.054","0.002","90","","104.497","0.007","90","","1388.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O4 S2 -","- C28 H32 N4 O4 S2 -","- C56 H64 N8 O8 S4 -","2","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.2103","0.0776","","","0.0888","0.11","","","","","","1.14","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032636","11.5064","0.0009","9.9143","0.001","12.9226","0.0012","90","","112.061","0.007","90","","1366.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","1.54178","CuKα","","0.1587","0.0963","","","0.2321","0.2959","","","","","","0.961","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032637","19.907","0.002","11.6503","0.0009","12.8343","0.0012","90","","99.37","0.004","90","","2936.8","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(5-bromothiophen-2-yl)-1,3-bis((tert-butyldimethylsilyl)oxy)- 4,4,5,5-tetramethylimidazolidine","","- C23 H45 Br N2 O2 S Si2 -","- C23 H45 Br N2 O2 S Si2 -","- C92 H180 Br4 N8 O8 S4 Si8 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.085","0.0465","","","0.0996","0.1151","","","","","","0.943","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032638","7.1928","0.0003","11.276","0.0005","19.2222","0.0009","92.856","0.004","94.94","0.004","103.966","0.004","1503.3","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2-(4-bromophenyl)-1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5- tetramethylimidazolidine","","- C25 H47 Br N2 O2 Si2 -","- C25 H47 Br N2 O2 Si2 -","- C50 H94 Br2 N4 O4 Si4 -","2","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.0475","0.0329","","","0.0711","0.078","","","","","","1.039","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032639","14.8434","0.0004","20.1222","0.0007","12.9937","0.0004","90","","111.258","0.002","90","","3616.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5-tetramethyl-2-(4-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)imidazolidine","","- C31 H59 B N2 O4 Si2 -","- C31 H59 B N2 O4 Si2 -","- C124 H236 B4 N8 O16 Si8 -","4","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.0535","0.0406","","","0.1037","0.1143","","","","","","1.034","","","","has coordinates,has disorder","198729","2020-10-21","18:00:00",""
"4032640","7.3684","0.0008","10.964","0.0011","40.733","0.004","84.629","0.002","88.353","0.003","73.129","0.003","3135.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H96 N4 O4 S Si4 -","- C54 H96 N4 O4 S Si4 -","- C108 H192 N8 O8 S2 Si8 -","2","1","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.13","0.0753","","","0.1642","0.1891","","","","","","1.043","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032641","7.1802","0.0005","11.4369","0.0008","19.3529","0.0016","98.727","0.006","90.143","0.006","104.044","0.006","1522.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H98 N4 O4 Si4 -","- C56 H98 N4 O4 Si4 -","- C56 H98 N4 O4 Si4 -","1","0.5","","Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin","Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00435","","","0.71073","MoKα","","0.088","0.045","","","0.1014","0.1173","","","","","","0.922","","","","has coordinates","198729","2020-10-21","18:00:00",""
"4032642","8.7997","0.0004","10.3121","0.0005","15.5615","0.0009","90","","90","","90","","1412.1","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.71073","MoKα","","0.095","0.0593","","","0.1082","0.1324","","","","","","1.099","","","","has coordinates","200702","2020-10-21","18:00:00",""
"4032643","16.635","0.002","11.1334","0.0014","19.245","0.003","90","","90.581","0.003","90","","3564.1","0.8","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 F28 -","- C42 F28 -","- C168 F112 -","4","1","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0734","","","","0.1222","","","","","","1.29","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032644","15.5207","0.0019","28.081","0.004","7.3931","0.0009","90","","90","","90","","3222.2","0.7","173","","173","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C42 H14 F14 -","- C42 H14 F14 -","- C168 H56 F56 -","4","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0748","","","","0.1008","","","","","","1.243","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032645","16.0412","0.0006","9.7859","0.0003","12.6241","0.0005","90","","98.193","0.001","90","","1961.47","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 B2 F3 N O2 -","- C21 H22 B2 F3 N O2 -","- C84 H88 B8 F12 N4 O8 -","4","1","","Davies, Geraint H. M.; Jouffroy, Matthieu; Sherafat, Fatemeh; Saeednia, Borna; Howshall, Casey; Molander, Gary A.","Regioselective Diversification of 2,1-Borazaronaphthalenes: Unlocking Isosteric Space via C‒H Activation","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b01331","","","0.71073","MoKα","","0.043","0.0398","","","0.1062","0.1092","","","","","","1.036","","","","has coordinates","198764","2020-10-21","18:00:00",""
"4032646","8.624","0.003","10.522","0.003","10.648","0.003","65.64","0.03","71.71","0.03","85.02","0.02","834.7","0.5","298.84","0.1","298.84","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.0973","0.0614","","","0.1507","0.1898","","","","","","1.016","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032647","13.8956","0.0011","15.1725","0.001","18.2472","0.0009","90","","102.099","0.007","90","","3761.6","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.1237","0.0714","","","0.1884","0.2182","","","","","","0.98","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032648","7.3877","0.0001","7.8178","0.0001","19.8494","0.0002","90","","90","","90","","1146.41","0.02","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0303","0.0299","","0.0555","0.0553","0.0555","","","","","","0.999","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032649","7.4666","0.0002","12.0831","0.0005","10.8645","0.0004","90","","90","","90","","980.19","0.06","150","","150","","","","","","","","locsl","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.055","0.0471","","0.1082","0.1041","0.1082","","","","","","0.9946","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032650","14.7787","0.0004","14.7787","0.0004","7.6213","0.0002","90","","90","","120","","1441.56","0.07","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C60 H72 O12 -","6","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.048","0.045","","0.111","0.1099","0.111","","","","","","1.0274","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032651","6.26451","0.00004","12.09608","0.00009","20.26568","0.00014","90","","90","","90","","1535.65","0.018","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0244","","0.0623","0.0618","0.0623","","","","","","1.0035","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032652","6.4307","0.0001","8.7685","0.0001","26.1929","0.0002","90","","90","","90","","1476.95","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0243","","0.0626","0.0621","0.0626","","","","","","1.004","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032653","7.43","0.0003","9.7667","0.0003","12.1277","0.0003","90","","92.279","0.003","90","","879.37","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0409","0.0378","","0.0926","0.091","0.0926","","","","","","1.0179","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032654","25.6494","0.0007","14.1949","0.0004","6.2343","0.0002","90","","90","","90","","2269.85","0.12","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 Si -","- C22 H36 O4 Si -","- C88 H144 O16 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0506","0.0448","","0.1019","0.0997","0.1019","","","","","","1.039","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032655","19.9195","0.0006","11.6626","0.0003","8.7386","0.0002","90","","90","","90","","2030.09","0.09","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0451","0.0407","","0.1007","0.0984","0.1007","","","","","","1.0325","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032656","8.9344","0.0002","15.4099","0.0003","14.9268","0.0003","90","","90","","90","","2055.1","0.07","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0461","0.0423","","0.1117","0.1097","0.1117","","","","","","1.0364","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032657","7.3238","0.0001","7.5553","0.0001","14.5389","0.0002","90","","90","","90","","804.488","0.019","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0229","0.0226","","0.0568","0.0565","0.0568","","","","","","0.9982","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032658","18.9377","0.0005","6.2442","0.0001","14.6275","0.0005","90","","105.95","0.003","90","","1663.12","0.08","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C15 H26 O3 Si -","- C15 H26 O3 Si -","- C60 H104 O12 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0344","0.0319","","0.0802","0.0787","0.0802","","","","","","0.9905","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032659","8.2335","0.00007","8.68949","0.00008","23.6396","0.0002","90","","90","","90","","1691.29","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C72 H96 O24 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0405","0.0395","","0.1123","0.1113","0.1123","","","","","","1.0111","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032660","18.3637","0.0001","14.1093","0.0001","12.0122","0.0001","90","","90","","90","","3112.35","0.04","150","","150","","","","","","","","local","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 O2 Si -","- C14 H26 O2 Si -","- C112 H208 O16 Si8 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.025","0.0248","","0.0668","0.0666","0.0668","","","","","","1.01","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032661","7.27015","0.00005","11.05109","0.00008","13.78627","0.00009","90","","90","","90","","1107.63","0.013","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0224","0.0221","","0.0572","0.057","0.0572","","","","","","1.006","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032662","7.2003","0.0002","8.4682","0.0002","9.4258","0.0003","90","","91.1279","0.0017","90","","574.61","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0509","0.0478","","0.1564","0.1524","0.1564","","","","","","1.0289","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032663","8.4949","0.0004","5.9702","0.0002","9.384","0.0004","90","","95.383","0.004","90","","473.82","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0465","0.0454","","0.1297","0.1288","0.1297","","","","","","1.0281","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032664","7.8054","0.0001","9.792","0.0001","11.058","0.0001","90","","90","","90","","845.168","0.016","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0228","0.0223","","0.0566","0.0562","0.0566","","","","","","1.0076","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032665","6.9303","0.0002","7.7696","0.0002","8.6272","0.0002","90","","92.403","0.002","90","","464.13","0.02","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0375","0.0373","","0.1167","0.1161","0.1167","","","","","","1.0436","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032666","11.1137","0.0002","36.5155","0.0008","19.991","0.0005","90","","96.49","0.001","90","","8060.8","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104 H70 Cl4 O9 -","- C104 H70 Cl4 O9 -","- C416 H280 Cl16 O36 -","4","1","","Shouda, Takaaki; Nakanishi, Kentaro; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis and Structures of Zigzag Shaped [12]Cyclo-p-phenylene Composed of Dinaphthofuran Units and Biphenyl Units.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01053","","","0.71075","MoKα","","0.1049","0.0885","","","0.2571","0.2717","","","","","","1.051","","","","has coordinates,has disorder","198900","2020-10-21","18:00:00",""
"4032667","13.9873","0.0003","18.0922","0.0005","20.9655","0.0005","79.205","0.002","72.753","0.002","76.769","0.002","4891.6","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","Expanded porphyrin","Ethynylene linked [40] Figure-eight Octaphyrin","","- C98 H62 F16 N4 O5 S4 -","- C97.5 H62 F16 N4 O5 S4 -","- C195 H124 F32 N8 O10 S8 -","2","1","","Sahoo, Krushna Chandra; Majewski, Marcin A.; Stępień, Marcin; Rath, Harapriya","Ethynylene-linked Figure-Eight Octaphyrin(1.2.1.1.1.2.1.1): Synthesis and Characterization of Its Two Oxidation States.","The Journal of organic chemistry","2017","82","15","8317","8322","10.1021/acs.joc.7b01592","","","0.71073","MoKα","","0.1106","0.0888","","","0.2321","0.2519","","","","","","1.022","","","","has coordinates","200703","2020-10-21","18:00:00",""
"4032668","34.451","0.0004","27.1978","0.0004","9.5573","0.0001","90","","90","","90","","8955.11","0.19","150","","150","","","","","","","","local","5","F d d 2","F 2 -2d","43","","","","- C24 H31 N O4 Si -","- C24 H31 N O4 Si -","- C384 H496 N16 O64 Si16 -","16","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","","1.54184","CuKα","","0.0347","0.0338","","0.0891","0.0884","0.0891","","","","","","1.0021","","","","has coordinates","199581","2020-10-21","18:00:00",""
"4032669","10.5559","0.0004","10.8496","0.0005","21.9254","0.0008","90","","90","","90","","2511.06","0.18","295.8","0.4","295.8","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br F3 N O6 -","- C22 H25 Br F3 N O6 -","- C88 H100 Br4 F12 N4 O24 -","4","1","","Dong, Zhenghao; Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of α-Trifluoromethyl Pyrrolidines through Organocatalyzed 1,3-Dipolar Cycloaddition Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02949","","","0.7107","MoKα","","0.0899","0.05","","","0.0892","0.1067","","","","","","1.055","","","","has coordinates","198978","2020-10-21","18:00:00",""
"4032670","17.1576","0.0006","12.2955","0.0006","3.8213","0.0002","90","","90","","90","","806.15","0.06","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0338","0.0323","","0.0619","0.0605","0.0619","","","","","","1","","","","has coordinates","199582","2020-10-21","18:00:00",""
"4032671","10.6363","0.0003","10.9748","0.0002","17.3845","0.0004","98.518","0.001","99.199","0.001","114.478","0.001","1770.51","0.07","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H30 Br2 N4 O3 -","- C31 H30 Br2 N4 O3 -","- C62 H60 Br4 N8 O6 -","2","1","","Hernández-Melo, Denhy; Cervantes, Ruy; Tiburcio, Jorge","Shuttling Motion in a Host-Guest Complex Triggered by Spiropyran to Merocyanine Reversible Chemical Transformation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00509","","x-ray","0.71073","MoKα","","0.0906","0.0787","","","0.2218","0.2387","","","","","","1.1","","","","has coordinates","198980","2020-10-21","18:00:00",""
"4032672","13.5637","0.0005","6.4493","0.0003","13.7872","0.0006","90","","95.412","0.001","90","","1200.68","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C54 H64 O16 -","2","1","","Huang, Zhongping; Williams, Russell B.; O'Neil-Johnson, Mark; Eldridge, Gary R.; Mangette, John E.; Starks, Courtney M.","A Total Synthesis of Bifidenone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00202","","","1.54178","CuKα","","0.0242","0.0239","","","0.0626","0.0629","","","","","","1.044","","","","has coordinates","198981","2020-10-21","18:00:00",""
"4032673","8.567","0.004","26.834","0.012","9.676","0.005","90","","100.176","0.009","90","","2189.4","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0839","0.0541","","","0.1272","0.143","","","","","","1.07","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032674","9.747","0.005","9.84","0.005","26.389","0.014","90","","98.144","0.01","90","","2505","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C124 H108 N4 O8 S4 -","4","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0839","0.0492","","","0.1166","0.1305","","","","","","1.001","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032675","10.213","0.003","10.955","0.004","11.821","0.004","97.369","0.005","108.277","0.005","92.549","0.006","1240.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C62 H54 N2 O4 S2 -","2","1","","Wu, Lisha; Meng, Yinfeng; Ferguson, Jamie; Wang, Lijie; Zeng, Fanlong","Palladium-Catalyzed Oxidative Annulation of ortho-Alkenylanilines and Allenes: an Access to Benzo[b]azepines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00012","","","0.71073","MoKα","","0.0555","0.0424","","","0.1175","0.1277","","","","","","1.034","","","","has coordinates","198982","2020-10-21","18:00:00",""
"4032676","10.14845","0.00009","10.61199","0.00007","10.80864","0.0001","90","","106.88","0.0009","90","","1113.89","0.017","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0263","0.0258","","0.0669","0.0663","0.0669","","","","","","1.0262","","","","has coordinates","200705","2020-10-21","18:00:00",""
"4032677","11.4848","0.0005","11.4848","0.0005","28.4095","0.0015","90","","90","","120","","3245.2","0.3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C22 H20 Br N O6 S -","- C22 H20 Br N O6 S -","- C132 H120 Br6 N6 O36 S6 -","6","1","","Kim, Hanna; Kim, Yerin; Kim, Sung-Gon","Organocatalytic Asymmetric Mannich/Aza-Michael Cascade Reaction of δ-Formyl-α,β-unsaturated Ketones with Cyclic N-Sulfimines: Enantioselective Synthesis of Benzosulfamidate-Fused Pyrrolidines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01533","","","0.71073","MoKα","","0.0542","0.0303","","","0.0554","0.0616","","","","","","1.034","","","","has coordinates","199347","2020-10-21","18:00:00",""
"4032678","10.333","0.003","10.854","0.003","11.479","0.003","94.95","0.004","111.217","0.007","106.268","0.01","1126.5","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl N O2 S -","- C26 H24 Cl N O2 S -","- C52 H48 Cl2 N2 O4 S2 -","2","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.087","0.0706","","","0.1964","0.2174","","","","","","1.016","","","","has coordinates","199542","2020-10-21","18:00:00",""
"4032679","9.6557","0.0003","7.6318","0.0003","12.9108","0.0004","90","","95.301","0.002","90","","947.33","0.06","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl3 N O7 S -","- C15 H16 Cl3 N O7 S -","- C30 H32 Cl6 N2 O14 S2 -","2","1","","Achary, Raghavendra; Jung, In-A; Son, Se-Mi; Lee, Hyeon-Kyu","Stereoselective Synthesis of Functionalized 1,3-Disubstituted Isoindolines via Rh(III)-Catalyzed Tandem Oxidative Olefination-Cyclization of 4-Aryl-cyclic Sulfamidate-5-Carboxylates.","The Journal of organic chemistry","2017","82","14","7223","7233","10.1021/acs.joc.7b00799","","","0.71073","MoKα","","0.0379","0.0354","","","0.0949","0.0965","","","","","","1.08","","","","has coordinates","199543","2020-10-21","18:00:00",""
"4032680","9.1818","0.0009","11.7411","0.0012","16.5296","0.0014","90","","91.51","0.008","90","","1781.3","0.3","290.38","0.1","290.38","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N2 O -","- C22 H15 Cl N2 O -","- C88 H60 Cl4 N8 O4 -","4","1","","Tian, Miaomiao; Shi, Xiaonan; Zhang, Xinying; Fan, Xuesen","Synthesis of 4-Acylpyrazoles from Saturated Ketones and Hydrazones Featured with Multiple C(sp(3))-H Bond Functionalization and C-C Bond Cleavage and Reorganization.","The Journal of organic chemistry","2017","82","14","7363","7372","10.1021/acs.joc.7b01013","","x-ray","0.71073","MoKα","","0.069","0.0515","","","0.1179","0.1262","","","","","","1.02","","","","has coordinates","200698","2020-10-21","18:00:00",""
"4032681","12.607","0.008","5.662","0.004","18.667","0.014","90","","102.68","0.02","90","","1300","1.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Gao, Guo-Lin; Yang, Chao; Gao, Yuan; Xia, Wujiong","Synthesis of Oxatricyclooctanes via Photoinduced Intramolecular Oxa-[4+2] Cycloaddition of Substituted o-Divinylbenzenes.","The Journal of organic chemistry","2017","82","15","7856","7868","10.1021/acs.joc.7b01055","","","0.71073","MoKα","","0.0961","0.0608","","","0.141","0.1672","","","","","","0.94","","","","has coordinates,has disorder","199545","2020-10-21","18:00:00",""
"4032682","15.9534","0.0006","11.7721","0.0004","25.1112","0.001","90","","106.034","0.004","90","","4532.5","0.3","149","0.8","149","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N2 O8 S2 -","- C46 H44 N2 O8 S2 -","- C184 H176 N8 O32 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0697","0.049","","","0.1216","0.1343","","","","","","1.025","","","","has coordinates","199546","2020-10-21","18:00:00",""
"4032683","11.6518","0.0012","10.0242","0.001","24.692","0.003","90","","103.209","0.002","90","","2807.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H22 Cl2 N4 O Pd -","- C35 H22 Cl2 N4 O Pd -","- C140 H88 Cl8 N16 O4 Pd4 -","4","2","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0481","0.0426","","","0.1034","0.1075","","","","","","1.007","","","","has coordinates","200679","2020-10-21","18:00:00",""
"4032684","16.81","0.004","10.863","0.002","15.317","0.003","90","","90","","90","","2797","1","170","","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","","Li, Yazhou; Li, Jian; Wu, Xiaowei; Zhou, Yu; Liu, Hong","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to 3-Carboxylate Substituted N-Hydroxyindoles.","The Journal of organic chemistry","2017","82","17","8984","8994","10.1021/acs.joc.7b01393","","","0.71073","MoKα","","0.0719","0.0461","","","0.1066","0.12","","","","","","1.036","","","","has coordinates","200678","2020-10-21","18:00:00",""
"4032685","11.058","0.003","16.922","0.005","14.89","0.003","90","","100.669","0.007","90","","2738.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F2 N2 -","- C36 H24 F2 N2 -","- C144 H96 F8 N8 -","4","1","","Maddala, Sudhakar; Mallick, Sudesh; Venkatakrishnan, Parthasarathy","Metal-Free Oxidative C-C Coupling of Arylamines Using a Quinone-Based Organic Oxidant.","The Journal of organic chemistry","2017","82","17","8958","8972","10.1021/acs.joc.7b01377","","","0.71073","MoKα","","0.1413","0.0838","","","0.2772","0.3135","","","","","","1.105","","","","has coordinates","200677","2020-10-21","18:00:00",""
"4032686","7.5489","0.0003","8.9993","0.0004","9.2731","0.0004","80.686","0.002","81.816","0.002","72.884","0.002","591.12","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Sigalov, Mark V.; Shainyan, Bagrat A.; Sterkhova, Irina V.","Photoinduced Intramolecular Bifurcate Hydrogen Bond: Unusual Mutual Influence of the Components.","The Journal of organic chemistry","2017","82","17","9075","9086","10.1021/acs.joc.7b01589","","","0.71073","MoKα","","0.1075","0.0553","","","0.116","0.1351","","","","","","1.015","","","","has coordinates","200676","2020-10-21","18:00:00",""
"4032687","7.1505","0.0017","7.8314","0.0019","15.265","0.004","101.116","0.004","90.923","0.004","96.993","0.004","831.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3-(4-methoxyphenethyl)-6-methyl-2-oxopiperidine-3-carboxylate","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0524","0.0386","","","0.0878","0.095","","","","","","1.028","","","","has coordinates","202739","2020-10-21","18:00:00",""
"4032691","9.7933","0.0005","9.9953","0.0005","15.9261","0.0008","99.293","0.002","91.403","0.002","109.66","0.002","1443.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H24 Cl N O2 S2 -","- C36.5 H24 Cl N O2 S2 -","- C73 H48 Cl2 N2 O4 S4 -","2","1","","Klikar, Milan; le Poul, Pascal; Růžička, Aleš; Pytela, Oldřich; Barsella, Alberto; Dorkenoo, Kokou D.; Robin-le Guen, Françoise; Bureš, Filip; Achelle, Sylvain","Dipolar NLO Chromophores Bearing Diazine Rings as π-Conjugated Linkers.","The Journal of organic chemistry","2017","82","18","9435","9451","10.1021/acs.joc.7b01442","","","0.71073","MoKα","","0.0841","0.0538","","","0.1112","0.1244","","","","","","1.051","","","","has coordinates","202736","2020-10-21","18:00:00",""
"4032692","7.715","0.002","9.543","0.002","10.884","0.003","109.664","0.004","96.7","0.004","106.526","0.004","703.1","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","","Zheng, Jian-Feng; Hu, Xiu-Ning; Xu, Zhen; Cai, Dong-Cheng; Shen, Tai-Long; Huang, Pei-Qiang","Substrate-Controlled Chemoselective Reactions of Isocyanoacetates with Amides and Lactams.","The Journal of organic chemistry","2017","82","18","9693","9703","10.1021/acs.joc.7b01768","","","0.71073","MoKα","","0.0534","0.048","","","0.1297","0.1339","","","","","","1.05","","","","has coordinates","202737","2020-10-21","18:00:00",""
"4032693","9.1014","0.0005","5.8581","0.0004","23.9958","0.0012","90","","95.595","0.005","90","","1273.29","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Li, Jiu-Ling; Hu, Da-Chao; Liang, Xin-Ping; Wang, Ying-Chun; Wang, Heng-Shan; Pan, Ying-Ming","Praseodymium(III)-Catalyzed Regioselective Synthesis of C3-N-Substituted Coumarins with Coumarins and Azides.","The Journal of organic chemistry","2017","82","17","9006","9011","10.1021/acs.joc.7b01410","","","0.71073","MoKα","","0.0946","0.0558","","","0.1188","0.1427","","","","","","1.069","","","","has coordinates","200276","2020-10-21","18:00:00",""
"4032694","25.2712","0.001","5.6984","0.0002","18.5928","0.0007","90","","129.237","0.0018","90","","2073.8","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C80 H96 N8 O40 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Ai, Yanran; Lee, Jihoon; Kishi, Yoshito","Stereocontrolled Synthesis of Left Halves of Halichondrins.","The Journal of organic chemistry","2017","82","17","8808","8830","10.1021/acs.joc.7b01284","","","1.54178","CuKα","","0.0308","0.0293","","","0.0759","0.0773","","","","","","1.046","","","","has coordinates","200277","2020-10-21","18:00:00",""
"4032695","14.3345","0.0008","21.1548","0.0012","34.813","0.002","90","","90","","90","","10556.8","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C404 H408 Cl8 F48 N32 P8 Rh8 S16 -","8","2","","Luo, Shipeng; Zhang, Xiao; Zheng, Yu; Harms, Klaus; Zhang, Lilu; Meggers, Eric","Enantioselective Alkynylation of Aromatic Aldehydes Catalyzed by a Sterically Highly Demanding Chiral-at-Rhodium Lewis Acid.","The Journal of organic chemistry","2017","82","17","8995","9005","10.1021/acs.joc.7b01394","","","0.71073","MoKα","","0.1014","0.0652","","","0.126","0.1376","","","","","","1.026","","","","has coordinates,has disorder","200278","2020-10-21","18:00:00",""
"4032696","11.0301","0.0001","17.6976","0.0003","19.2949","0.0003","90","","90","","90","","3766.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O13 -","- C41 H58 O13 -","- C164 H232 O52 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Naini, Santhosh Reddy; Yamashita, Shuji; Ai, Yanran; Kishi, Yoshito","Unified Synthesis of Right Halves of Halichondrins A-C.","The Journal of organic chemistry","2017","82","17","8792","8807","10.1021/acs.joc.7b01283","","","1.54178","CuKα","","0.0396","0.0384","","","0.1012","0.1018","","","","","","1.038","","","","has coordinates,has disorder","200279","2020-10-21","18:00:00",""
"4032697","7.4257","0.0008","7.4764","0.0008","23.433","0.002","90","","90","","90","","1300.9","0.2","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Nakazaki, Atsuo; Hashimoto, Keiko; Ikeda, Ai; Shibata, Takahiro; Nishikawa, Toshio","De Novo Synthesis of Possible Candidates for the Inagami-Tamura Endogenous Digitalis-like Factor.","The Journal of organic chemistry","2017","82","17","9097","9111","10.1021/acs.joc.7b01640","","","1.54187","CuKα","","0.0558","0.0528","","","0.1371","0.1404","","","","","","1.082","","","","has coordinates","200280","2020-10-21","18:00:00",""
"4032698","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","200281","2020-10-21","18:00:00",""
"4032699","7.26","0.003","9.935","0.004","14.865","0.006","94.186","0.012","102.936","0.011","99.694","0.012","1023.2","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H19 N -","- C31 H19 N -","- C62 H38 N2 -","2","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.1363","0.076","","","0.1853","0.2348","","","","","","0.942","","","","has coordinates","200282","2020-10-21","18:00:00",""
"4032700","9.1218","0.0014","16.221","0.003","11.9435","0.0018","90","","100.444","0.003","90","","1737.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0966","0.0704","","","0.1999","0.2197","","","","","","1.085","","","","has coordinates,has disorder","200284","2020-10-21","18:00:00",""
"4032701","16.373","0.003","17.935","0.002","18.38","0.003","90","","114.773","0.003","90","","4900.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl6 N6 O6 -","- C44 H56 Cl6 N6 O6 -","- C176 H224 Cl24 N24 O24 -","4","1","","D'Amato, Assunta; Volpe, Raffaele; Vaccaro, Maria Carmela; Terracciano, Stefania; Bruno, Ines; Tosolini, Massimo; Tedesco, Consiglia; Pierri, Giovanni; Tecilla, Paolo; Costabile, Chiara; Della Sala, Giorgio; Izzo, Irene; De Riccardis, Francesco","Cyclic Peptoids as Mycotoxin Mimics: An Exploration of Their Structural and Biological Properties.","The Journal of organic chemistry","2017","82","17","8848","8863","10.1021/acs.joc.7b00965","","","0.71073","MoKα","","0.1733","0.0888","","","0.2278","0.3026","","","","","","0.906","","","","has coordinates","200285","2020-10-21","18:00:00",""
"4032702","8.059","0.0001","9.22611","0.00012","13.21005","0.00017","90","","90","","90","","982.21","0.02","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0678","0.0685","","","","","","1.076","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032703","7.4091","0.0005","7.9981","0.0005","15.5815","0.0009","90","","90","","90","","923.34","0.1","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.041","0.0374","","","0.0981","0.1018","","","","","","1.06","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032704","7.54257","0.00009","12.11651","0.00015","10.64996","0.00013","90","","95.459","0.0012","90","","968.88","0.02","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0865","0.0872","","","","","","1.046","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032705","6.3961","0.0004","8.4683","0.0007","21.9193","0.0013","90","","90","","90","","1187.24","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.1557","0.0523","","","0.0983","0.1255","","","","","","0.826","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032706","11.0025","0.0008","6.3472","0.0005","20.4018","0.0016","90","","105.422","0.007","90","","1373.46","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.0744","0.0471","","","0.1137","0.1287","","","","","","0.956","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032707","24.3119","0.0007","24.3119","0.0007","13.9782","0.0008","90","","90","","90","","8262.1","0.6","187","2","187.65","","","","","","","","","3","I 4/m","-I 4","87","","","","- C79 H8 S2 -","- C79 H8 S2 -","- C632 H64 S16 -","8","0.5","","Yang, Wei-Wei; Li, Zong-Jun; Li, Shu-Hui; Wu, Sheng-Li; Shi, Zujin; Gao, Xiang","Reductive Activation of C70 Equatorial Carbons and Structurally Characterized C70 δ-Adduct with Closed [5,6]-Ring Fusion.","The Journal of organic chemistry","2017","82","17","9253","9257","10.1021/acs.joc.7b01756","","","0.71073","MoKα","","0.1036","0.0685","","","0.1555","0.1707","","","","","","1.1","","","","has coordinates,has disorder","200287","2020-10-21","18:00:00",""
"4032708","9.19","0.003","9.284","0.003","15.827","0.005","85.938","0.008","76.094","0.007","63.729","0.007","1174.4","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C60 H52 O10 -","2","1","","Yang, Shu-Mei; Tsai, Yi-Ling; Reddy, Ganapuram Madhusudhan; Möhlmann, Lennart; Lin, Wenwei","Chemo- and Diastereoselective Michael-Michael-Acetalization Cascade for the Synthesis of 1,3-Indandione-Fused Spiro[4.5]decan Scaffolds.","The Journal of organic chemistry","2017","82","17","9182","9190","10.1021/acs.joc.7b01415","","","0.71073","MoKα","","0.081","0.0488","","","0.1152","0.1329","","","","","","1.037","","","","has coordinates","200288","2020-10-21","18:00:00",""
"4032709","6.0771","0.0002","8.0868","0.0003","21.8099","0.0009","90","","94.06","0.007","90","","1069.14","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 Fe N O3 -","- C26 H27 Fe N O3 -","- C52 H54 Fe2 N2 O6 -","2","1","","Koizumi, Akihiro; Harada, Masato; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Chiral Silver Complex-Catalyzed Diastereoselective and Enantioselective Michael Addition of 1-Pyrroline-5-carboxylates to α-Enones.","The Journal of organic chemistry","2017","82","17","8927","8932","10.1021/acs.joc.7b01335","","","0.71075","MoKα","","0.0456","0.0421","","","0.1095","0.111","","","","","","1","","","","has coordinates","200289","2020-10-21","18:00:00",""
"4032710","13.8556","0.0015","10.2243","0.0011","21.102","0.002","90","","97","0.002","90","","2967.1","0.5","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cl2 N4 O Pt -","- C35 H22 Cl2 N4 O Pt -","- C140 H88 Cl8 N16 O4 Pt4 -","4","1","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0904","0.0444","","","0.0843","0.0982","","","","","","1.017","","","","has coordinates","200290","2020-10-21","18:00:00",""
"4032711","15.8397","0.0012","12.254","0.0009","8.6865","0.0005","90","","99.967","0.006","90","","1660.6","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0616","0.0411","","","0.087","0.1017","","","","","","1.071","","","","has coordinates","200291","2020-10-21","18:00:00",""
"4032712","17.5747","0.0007","9.0437","0.0004","22.3355","0.0011","90","","90","","90","","3550","0.3","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H14 I N O -","- C22 H14 I N O -","- C176 H112 I8 N8 O8 -","8","2","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0488","0.0331","","","0.0753","0.0857","","","","","","1.085","","","","has coordinates","200292","2020-10-21","18:00:00",""
"4032713","8.8756","0.0007","19.3954","0.0011","10.7433","0.0007","90","","94.89","0.007","90","","1842.7","0.2","171.4","","171.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0744","0.0551","","","0.1623","0.1789","","","","","","1.055","","","","has coordinates","200293","2020-10-21","18:00:00",""
"4032714","11.9098","0.0005","11.9888","0.0005","19.7512","0.0009","78.161","0.002","79.589","0.002","85.415","0.002","2712","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H42 N20 -","- C56 H42 N20 -","- C56 H42 N20 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.34139","GaKα","","0.1154","0.1044","","","0.3243","0.3368","","","","","","1.452","","","","has coordinates","200294","2020-10-21","18:00:00",""
"4032715","11.6172","0.0005","14.6794","0.0006","17.7544","0.0008","77.537","0.002","72.168","0.002","81.93","0.002","2805.3","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0966","0.0945","","","0.2211","0.2222","","","","","","1.021","","","","has coordinates,has disorder","200295","2020-10-21","18:00:00",""
"4032716","11.7748","0.0015","14.6484","0.0019","16.718","0.0022","80.848","0.006","88.264","0.006","79.23","0.006","2796.7","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0645","0.0614","","","0.2141","0.2208","","","","","","1.023","","","","has coordinates,has disorder","200296","2020-10-21","18:00:00",""
"4032717","11.9255","0.0004","11.9827","0.0004","19.5388","0.0007","80.272","0.002","77.044","0.002","85.171","0.002","2678.77","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C28 H21 N10 -","- C28 H21 N10 -","- C56 H42 N20 -","2","1","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0957","0.0864","","","0.2446","0.2523","","","","","","1.048","","","","has coordinates","200297","2020-10-21","18:00:00",""
"4032718","8.1916","0.0005","14.7394","0.001","22.3861","0.0013","98.184","0.004","90.73","0.002","101.655","0.002","2617.8","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0827","0.0815","","","0.1984","0.1992","","","","","","1.011","","","","has coordinates,has disorder","200298","2020-10-21","18:00:00",""
"4032719","7.9578","0.0003","14.6936","0.0005","24.4705","0.001","90","","97.184","0.003","90","","2838.84","0.19","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N O4 -","- C13 H14 N O4 -","- C104 H112 N8 O32 -","8","1","","Yu, Yunliang; Kuai, Changsheng; Chauvin, Remi; Tian, Nian; Ma, Shuangshuang; Cui, Xiuling","Rh-Catalyzed Regioselective ortho-C-H Carbenoid Insertion of Diarylazines.","The Journal of organic chemistry","2017","82","16","8611","8616","10.1021/acs.joc.7b01472","","x-ray","0.71073","MoKα","","0.087","0.0711","","","0.2092","0.2257","","","","","","1.074","","","","has coordinates,has disorder","200299","2020-10-21","18:00:00",""
"4032720","12.353","0.002","17.154","0.003","16.604","0.003","90","","102.32","0.002","90","","3437.4","1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Cl N3 O4 S2 -","- C28 H56 Cl N3 O4 S2 -","- C112 H224 Cl4 N12 O16 S8 -","4","2","","Li, Yao; Yang, Guo-Hui; Shen, Ye-Ye; Xue, Xiao-Song; Li, Xin; Cheng, Jin-Pei","N-tert-Butyl Sulfinyl Squaramide Receptors for Anion Recognition through Assisted tert-Butyl C-H Hydrogen Bonding.","The Journal of organic chemistry","2017","82","16","8662","8667","10.1021/acs.joc.7b01634","","","0.71073","MoKα","","0.0631","0.0591","","","0.1346","0.1375","","","","","","1.101","","","","has coordinates","200300","2020-10-21","18:00:00",""
"4032721","8.9174","0.0004","11.0306","0.0005","13.5851","0.0006","83.681","0.004","82.834","0.004","86.455","0.004","1316.23","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","2","","Kotha, Sambasivarao; Gunta, Rama","Synthesis of Intricate Fused N-Heterocycles via Ring-Rearrangement Metathesis.","The Journal of organic chemistry","2017","82","16","8527","8535","10.1021/acs.joc.7b01299","","","0.71073","MoKα","","0.0781","0.0546","","","0.1226","0.1409","","","","","","1.05","","","","has coordinates","200301","2020-10-21","18:00:00",""
"4032722","20.989","0.0005","21.5927","0.0006","23.4837","0.0005","90","","90","","90","","10643","0.5","100.05","0.1","100.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H59 F12 N3 O14 P2 -","- C47 H53 F12 N3 O13 P2 -","- C376 H424 F96 N24 O104 P16 -","8","1","","Pederson, Adam M.-P.; Price, Jr, Terry L; Slebodnick, Carla; Schoonover, Daniel V.; Gibson, Harry W.","The Long and the Short of It: Regiospecific Syntheses of Isomers of Dicarbomethoxydibenzo-27-crown-9 and Binding Abilities of Their Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","16","8489","8496","10.1021/acs.joc.7b01242","","x-ray","0.71073","MoKα","","0.1744","0.1245","","","0.3188","0.3567","","","","","","1.212","","","","has coordinates,has disorder","200302","2020-10-21","18:00:00",""
"4032723","18.0919","0.001","7.0413","0.0003","13.4921","0.0009","90","","111.573","0.007","90","","1598.37","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-bromophenyl)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxylate","","- C18 H13 Br N2 O4 -","- C18 H13 Br N2 O4 -","- C72 H52 Br4 N8 O16 -","4","1","","Galenko, Ekaterina E.; Bodunov, Vladimir A.; Galenko, Alexey V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 4-Vinylisoxazoles into Pyrroles.","The Journal of organic chemistry","2017","82","16","8568","8579","10.1021/acs.joc.7b01351","","","0.71073","MoKα","","0.0389","0.03","","","0.0655","0.0693","","","","","","1.044","","","","has coordinates","200303","2020-10-21","18:00:00",""
"4032724","10.5193","0.0007","14.9054","0.001","17.3335","0.0011","72.95","0.005","89.888","0.006","80.191","0.006","2557","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H29 F12 N5 Ni -","- C55 H29 F12 N5 Ni -","- C110 H58 F24 N10 Ni2 -","2","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","1.54187","CuKα","","0.1384","0.0904","","","0.218","0.2412","","","","","","1.036","","","","has coordinates,has disorder","200304","2020-10-21","18:00:00",""
"4032725","29.698","0.019","16.005","0.01","22.173","0.014","90","","107.336","0.007","90","","10060","11","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H28 Ag F12 N5 -","- C55 H28 Ag F12 N5 -","- C440 H224 Ag8 F96 N40 -","8","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","0.71075","MoKα","","0.1276","0.0863","","","0.1852","0.2131","","","","","","1.074","","","","has coordinates,has disorder","200305","2020-10-21","18:00:00",""
"4032726","16.9866","0.0013","7.995","0.0006","11.8016","0.0009","90","","90","","90","","1602.8","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H9 N2 O2 -","- C8 H9 N2 O2 -","- C64 H72 N16 O16 -","8","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0346","0.0326","","","0.0894","0.091","","","","","","1.058","","","","has coordinates","200306","2020-10-21","18:00:00",""
"4032727","8.6855","0.0006","9.5744","0.0007","11.5557","0.0008","72.188","0.002","79.727","0.002","77.247","0.002","885.94","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C36 H36 N8 O12 -","2","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0351","0.0331","","","0.0939","0.0959","","","","","","1.081","","","","has coordinates","200307","2020-10-21","18:00:00",""
"4032728","8.0603","0.0011","18.448","0.003","10.7581","0.0015","90","","95.777","0.002","90","","1591.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Kinthada, Lakshmana K.; Medisetty, Sai Raghavendra; Parida, Amarchand; Babu, K. Naresh; Bisai, Alakesh","FeCl3-Catalyzed Allylation Reactions onto 3-Hydroxy-2-oxindoles: Formal Total Syntheses of Bis-cyclotryptamine Alkaloids, (±)-Chimonanthine, and (±)-Folicanthine.","The Journal of organic chemistry","2017","82","16","8548","8567","10.1021/acs.joc.7b01232","","","0.71073","MoKα","","0.0776","0.0531","","","0.1485","0.1661","","","","","","1.028","","","","has coordinates","200308","2020-10-21","18:00:00",""
"4032729","7.2895","0.0006","9.234","0.0008","11.6572","0.001","100.23","0.0011","102.319","0.0011","96.3662","0.0012","745.32","0.11","90","2","90","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","1","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.0379","0.0374","","","0.1012","0.1018","","","","","","1.08","","","","has coordinates","200309","2020-10-21","18:00:00",""
"4032730","8.282","0.006","9.706","0.009","10.928","0.007","113.515","0.011","93.064","0.001","114.23","0.03","709.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0491","0.0451","","","0.1225","0.1264","","","","","","1.118","","","","has coordinates","200310","2020-10-21","18:00:00",""
"4032731","13.109","0.003","10.35","0.002","16.408","0.003","90","","94.59","0.03","90","","2219.1","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N2 O6 -","- C52 H60 N2 O6 -","- C104 H120 N4 O12 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.056","0.0505","","","0.1374","0.1412","","","","","","1.044","","","","has coordinates","200311","2020-10-21","18:00:00",""
"4032732","9.538","0.004","10.565","0.004","11.508","0.005","106.644","0.005","98.183","0.004","103.348","0.005","1053.7","0.8","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N O P S -","- C25 H20 N O P S -","- C50 H40 N2 O2 P2 S2 -","2","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0558","0.0507","","","0.1121","0.1152","","","","","","1.164","","","","has coordinates","200312","2020-10-21","18:00:00",""
"4032733","16.045","0.0019","14.1739","0.0016","8.0985","0.0009","90","","96.802","0.009","90","","1828.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 O4 -","- C21 H16 F2 O4 -","- C84 H64 F8 O16 -","4","1","","Zhang, Yan; Ye, Shangyi; Ji, Mingming; Li, Lisha; Guo, Dongmei; Zhu, Gangguo","Copper-Catalyzed Radical Cascade Difluoromethylation/Cyclization of 2-(3-Arylpropioloyl)benzaldehydes: A Route to Difluoromethylated Naphthoquinones.","The Journal of organic chemistry","2017","82","13","6811","6818","10.1021/acs.joc.7b00964","","","0.71073","MoKα","","0.1897","0.0754","","","0.1748","0.2371","","","","","","1.068","","","","has coordinates","200313","2020-10-21","18:00:00",""
"4032734","8.0848","0.0001","13.4851","0.0001","14.869","0.0002","90","","103.63","0.001","90","","1575.43","0.03","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H31 B N O P -","- C11 H31 B N O P -","- C44 H124 B4 N4 O4 P4 -","4","2","","Salomó, Ernest; Prades, Amparo; Riera, Antoni; Verdaguer, Xavier","Dialkylammonium tert-Butylmethylphosphinites: Stable Intermediates for the Synthesis of P-Stereogenic Ligands.","The Journal of organic chemistry","2017","82","13","7065","7069","10.1021/acs.joc.7b01180","","","0.7107","MoKα","","0.0381","0.0298","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4032735","19.8444","0.0009","8.1601","0.0004","15.9017","0.0008","90","","109.063","0.003","90","","2433.8","0.2","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-azainzole zinc acetate dimer","","- C22 H24 N4 O8 Zn2 -","- C22 H24 N4 O8 Zn2 -","- C88 H96 N16 O32 Zn8 -","4","0.5","","Ayothiraman, Rajaram; Rangaswamy, Sundaramurthy; Maity, Prantik; Simmons, Eric M.; Beutner, Gregory L.; Janey, Jacob; Treitler, Daniel S.; Eastgate, Martin D.; Vaidyanathan, Rajappa","Zinc Acetate-Promoted Buchwald-Hartwig Couplings of Heteroaromatic Amines.","The Journal of organic chemistry","2017","82","14","7420","7427","10.1021/acs.joc.7b01101","","","0.71073","MoKα","","0.0472","0.0369","","","0.0969","0.1018","","","","","","1.112","","","","has coordinates","200315","2020-10-21","18:00:00",""
"4032736","11.2475","0.0008","11.963","0.0009","23.4408","0.0017","90","","90","","90","","3154","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O8 -","- C34 H33 Cl N2 O8 -","- C136 H132 Cl4 N8 O32 -","4","1","","Feng, Junjun; Li, Xin","Enantioselective Vinylogous Michael-Michael Cascade Reactions of 3-Alkylidene Oxindoles and Nitroolefin Enoates.","The Journal of organic chemistry","2017","82","14","7317","7323","10.1021/acs.joc.7b00938","","","0.71073","MoKα","","0.0286","0.0257","","","0.0661","0.0673","","","","","","1.048","","","","has coordinates","200316","2020-10-21","18:00:00",""
"4032737","32.034","0.0017","12.9944","0.0008","20.1345","0.0011","90","","124.023","0.001","90","","6946.5","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H66 Cl2 N8 O4 -","- C89 H66 Cl2 N8 O4 -","- C356 H264 Cl8 N32 O16 -","4","0.5","","Kavala, Veerababurao; Yang, Zonghan; Konala, Ashok; Huang, Chia-Yu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Benzopyridoindolone Derivatives via a One-Pot Copper Catalyzed Tandem Reaction of 2-Iodobenzamide Derivatives and 2-Iodobenzylcyanides.","The Journal of organic chemistry","2017","82","14","7280","7286","10.1021/acs.joc.7b00862","","","0.71073","MoKα","","0.0681","0.0526","","","0.1482","0.1639","","","","","","1.04","","","","has coordinates","200317","2020-10-21","18:00:00",""
"4032738","8.3866","0.001","11.7585","0.0013","13.8846","0.0016","65.243","0.004","78.191","0.005","74.835","0.005","1193","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 Cl3 N2 -","- C23 H29 Cl3 N2 -","- C46 H58 Cl6 N4 -","2","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.09","0.053","","","0.1245","0.1413","","","","","","1.055","","","","has coordinates","200318","2020-10-21","18:00:00",""
"4032739","10.7863","0.0003","11.9749","0.0003","15.8854","0.0004","90","","90","","90","","2051.84","0.09","103.2","","103.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O5 -","- C20 H21 Br N2 O5 -","- C80 H84 Br4 N8 O20 -","4","1","","Ma, Hongli; Xie, Lei; Zhang, Zhenhua; Wu, Lin-Gang; Fu, Bin; Qin, Zhaohai","Enantioselective Conjugate Addition of 2-Acetyl Azaarenes to β,β-Disubstituted Nitroalkene for the Construction of All-Carbon Quaternary Stereocenters.","The Journal of organic chemistry","2017","82","14","7353","7362","10.1021/acs.joc.7b01014","","","1.5418","CuKα","","0.0323","0.0317","","","0.0809","0.0813","","","","","","1.119","","","","has coordinates","200319","2020-10-21","18:00:00",""
"4032740","11.851","0.002","6.5036","0.0013","17.863","0.004","90","","108.35","0.03","90","","1306.8","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hou, Ling-Li; Shi, Yong; Zhang, Zhi-Dan; Wu, Jing-Jing; Yang, Qing-Xiong; Tian, Wei-Sheng","Divergent Synthesis of Solanidine and 22-epi-Solanidine.","The Journal of organic chemistry","2017","82","14","7463","7469","10.1021/acs.joc.7b01133","","","1.54178","CuKα","","0.0424","0.0421","","","0.1137","0.1143","","","","","","1.025","","","","has coordinates","200320","2020-10-21","18:00:00",""
"4032741","7.9933","0.0007","8.6795","0.0007","13.2531","0.0011","78.2587","0.0013","78.0645","0.0013","67.9603","0.0012","825.78","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C48 H28 O8 -","2","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0506","0.0428","","","0.113","0.1186","","","","","","1.045","","","","has coordinates","200321","2020-10-21","18:00:00",""
"4032742","16.2777","0.0009","8.0337","0.0005","19.5542","0.0011","90","","92.8884","0.0011","90","","2553.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 O5 -","- C36 H22 O5 -","- C144 H88 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0682","0.045","","","0.1056","0.1188","","","","","","1.026","","","","has coordinates","200322","2020-10-21","18:00:00",""
"4032743","10.5106","0.0002","4.968","0.0001","44.4015","0.0009","90","","91.325","0.001","90","","2317.88","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1571","","","- C29 H29 N O5 -","- C29 H29 N O5 -","- C116 H116 N4 O20 -","4","1","","Huber, Tatjana; Preuhs, Teresa A.; Gerlinger, Christa K. G.; Magauer, Thomas","Development of a β-C-H Bromination Approach toward the Synthesis of Jerantinine E.","The Journal of organic chemistry","2017","82","14","7410","7419","10.1021/acs.joc.7b01095","","","0.71073","MoKα","","0.0482","0.0395","","","0.0902","0.0946","","","","","","1.038","","","","has coordinates","200323","2020-10-21","18:00:00",""
"4032744","6.6887","0.0005","9.605","0.0007","10.7854","0.0008","99.406","0.003","90.418","0.003","93.521","0.003","682.2","0.09","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Chiou, Wen-Hua; Chen, Po-Chou","Synthesis of (±)-Aphanorphine Using Rh-Catalyzed Cyclohydrocarbonylation.","The Journal of organic chemistry","2017","82","15","8213","8219","10.1021/acs.joc.7b00923","","x-ray","0.71073","MoKα","","0.0639","0.0496","","","0.1407","0.1582","","","","","","1.001","","","","has coordinates","200324","2020-10-21","18:00:00",""
"4032745","16.6953","0.0002","9.71833","0.00014","24.2042","0.0004","90","","107.522","0.0015","90","","3744.93","0.1","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H98 Cu2 F12 N8 O P2 -","- C68 H98 Cu2 F12 N8 O P2 -","- C136 H196 Cu4 F24 N16 O2 P4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0463","0.0404","","","0.1024","0.1084","","","","","","1.028","","","","has coordinates,has disorder","200325","2020-10-21","18:00:00",""
"4032746","7.571","0.002","18.848","0.006","12.151","0.004","90","","108.266","0.006","90","","1646.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N3 O -","- C20 H16 F N3 O -","- C80 H64 F4 N12 O4 -","4","1","","Yu, Yulan; Cai, Zhiqiang; Yuan, Weiwen; Liu, Ping; Sun, Peipei","Radical Addition/Insertion/Cyclization Cascade Reaction To Assemble Phenanthridines from N-Arylacrylamide Using Cyano as a Bridge under Photoredox Catalysis.","The Journal of organic chemistry","2017","82","15","8148","8156","10.1021/acs.joc.7b01447","","","0.71073","MoKα","","0.1156","0.0585","","","0.1414","0.1719","","","","","","1.037","","","","has coordinates","200326","2020-10-21","18:00:00",""
"4032747","20.918","0.002","6.0208","0.0006","25.025","0.002","90","","111.139","0.01","90","","2939.6","0.5","290","0.4","290","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O6 S2 -","- C31 H32 N2 O6 S2 -","- C124 H128 N8 O24 S8 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.7107","MoKα","","0.1187","0.0598","","","0.1127","0.1476","","","","","","1.056","","","","has coordinates","200327","2020-10-21","18:00:00",""
"4032748","10.8586","0.00017","22.1145","0.0004","22.6189","0.0003","93.071","0.0011","90.2646","0.0011","93.6436","0.0013","5412.59","0.15","100.1","0.4","100.1","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C45 H54 Cl3 F6 N3 O19 S2 -","- C45 H54 Cl3 F6 N3 O19 S2 -","- C180 H216 Cl12 F24 N12 O76 S8 -","4","2","","Price, Jr, Terry L; Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W.","High-Yielding Syntheses of Crown Ether-Based Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","15","8117","8122","10.1021/acs.joc.7b01389","","x-ray","1.54184","CuKα","","0.0587","0.0488","","","0.129","0.1395","","","","","","1.043","","","","has coordinates","200328","2020-10-21","18:00:00",""
"4032749","16.89","0.003","8.0184","0.0016","11.924","0.002","90","","94.97","0.03","90","","1608.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Huang, Jiuzhong; Zheng, Jia; Wu, Wanqing; Li, Jianxiao; Ma, Zhiqiang; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Intermolecular Oxidative Cyclization of Allyltosylamides with AcOH: Assembly of 3-Pyrrolin-2-ones.","The Journal of organic chemistry","2017","82","15","8191","8198","10.1021/acs.joc.7b00804","","","0.71073","MoKα","","0.1192","0.0586","","","0.1247","0.1507","","","","","","1.006","","","","has coordinates","200329","2020-10-21","18:00:00",""
"4032750","8.9017","0.0017","10.527","0.002","17.992","0.004","90","","90.408","0.008","90","","1686","0.6","173","","173","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 F28 -","- C42 F28 -","- C84 F56 -","2","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.045","","","","0.0979","","","","","","0.847","","","","has coordinates","200330","2020-10-21","18:00:00",""
"4032751","8.2318","0.0004","10.7603","0.0009","13.738","0.0007","90","","90.712","0.005","90","","1216.77","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 N4 -","- C15 H8 N4 -","- C60 H32 N16 -","4","1","","Zhu, Xinju; Shen, Xiao-Jing; Tian, Zi-Yao; Lu, Shuai; Tian, Lu-Lu; Liu, Wen-Bo; Song, Bing; Hao, Xin-Qi","Rhodium-Catalyzed Direct Bis-cyanation of Arylimidazo[1,2-α]pyridine via Double C-H Activation.","The Journal of organic chemistry","2017","82","12","6022","6031","10.1021/acs.joc.6b03036","","x-ray","1.54184","CuKα","","0.07","0.0552","","","0.1701","0.1919","","","","","","1.069","","","","has coordinates","200331","2020-10-21","18:00:00",""
"4032752","8.6541","0.0002","10.3345","0.0002","14.6137","0.0004","90","","96.5887","0.0018","90","","1298.36","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","1","0.5","","Ren, Ji-Wei; Wang, Jing; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","L-Pyroglutamic Sulphonamide as Hydrogen-Bonding Organocatalyst: Enantioselective Diels-Alder Cyclization to Construct Carbazolespirooxindoles.","The Journal of organic chemistry","2017","82","12","6441","6449","10.1021/acs.joc.7b00733","","","0.71073","MoKα","","0.0415","0.0368","","","0.0982","0.1004","","","","","","1.056","","","","has coordinates","200332","2020-10-21","18:00:00",""
"4032753","13.0387","0.0006","5.8212","0.0003","22.0905","0.0012","90","","92.372","0.002","90","","1675.25","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H9 F9 O S -","- C17 H9 F9 O S -","- C68 H36 F36 O4 S4 -","4","1","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.0521","0.0382","","","0.0881","0.096","","","","","","1.029","","","","has coordinates","200333","2020-10-21","18:00:00",""
"4032754","20.0478","0.0004","7.17097","0.00013","21.1937","0.0004","90","","90","","90","","3046.85","0.1","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","1.54184","CuKα","","0.0563","0.0452","","","0.1167","0.1411","","","","","","1.176","","","","has coordinates","200334","2020-10-21","18:00:00",""
"4032755","5.158","0.004","9.565","0.007","16.058","0.011","87.872","0.011","87.558","0.011","83.708","0.012","786.3","1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14.88 H14.76 F3 N2 O3 -","- C14.879 H14.748 F3 N2 O3 -","- C29.758 H29.496 F6 N4 O6 -","2","1","","Chen, Chun-Hua; Liu, Qing-Qing; Ma, Xiao-Pan; Feng, Yu; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper-Catalyzed Selective N-Vinylation of 3-(Hydroxyimino)indolin-2-ones with Alkenyl Boronic Acids: Synthesis of N-Vinyl Nitrones and Spirooxindoles.","The Journal of organic chemistry","2017","82","12","6417","6425","10.1021/acs.joc.7b00620","","","0.71073","MoKα","","0.0976","0.086","","","0.2952","0.3103","","","","","","1.358","","","","has coordinates","200335","2020-10-21","18:00:00",""
"4032756","14.7624","0.0014","7.2144","0.0008","20.8003","0.0019","90","","109.48","0.006","90","","2088.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N O -","- C11 H21 N O -","- C88 H168 N8 O8 -","8","2","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0926","0.0514","","","0.1051","0.1256","","","","","","1.019","","","","has coordinates","200336","2020-10-21","18:00:00",""
"4032757","12.0615","0.0005","13.9829","0.0005","11.3318","0.0005","90","","111.927","0.005","90","","1772.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N2 S -","- C24 H14 N2 S -","- C96 H56 N8 S4 -","4","1","","Hua, Ying-Xi; Shao, Yongliang; Wang, Ya-Wen; Peng, Yu","A Series of Fluorescent and Colorimetric Chemodosimeters for Selective Recognition of Cyanide Based on the FRET Mechanism.","The Journal of organic chemistry","2017","82","12","6259","6267","10.1021/acs.joc.7b00850","","","0.71073","MoKα","","0.065","0.0451","","","0.0943","0.1058","","","","","","1.051","","","","has coordinates","200337","2020-10-21","18:00:00",""
"4032758","12.5496","0.0018","13.4577","0.0015","16.944","0.002","105.216","0.011","95.918","0.012","106.899","0.012","2591.7","0.6","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H15 F3 N2 O -","- C22 H15 F3 N2 O -","- C132 H90 F18 N12 O6 -","6","3","","Alonso, Concepción; González, María; Palacios, Francisco; Rubiales, Gloria","Study of the Hetero-[4+2]-Cycloaddition Reaction of Aldimines and Alkynes. Synthesis of 1,5-Naphthyridine and Isoindolone Derivatives.","The Journal of organic chemistry","2017","82","12","6379","6387","10.1021/acs.joc.7b00977","","x-ray","1.54184","CuKα","","0.1563","0.0987","","","0.2681","0.3081","","","","","","0.991","","","","has coordinates,has disorder","200338","2020-10-21","18:00:00",""
"4032759","5.7218","0.0008","5.9498","0.0008","42.706","0.006","90","","90","","90","","1453.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael-Hemiacetalization Reaction Between 2-Hydroxyacetophenones and Enals: A Route to Chiral β,γ-Disubstituted γ-Butyrolactones.","The Journal of organic chemistry","2017","82","12","6409","6416","10.1021/acs.joc.7b00363","","","0.71073","MoKα","","0.0494","0.0316","","","0.0762","0.0973","","","","","","1.067","","","","has coordinates","200339","2020-10-21","18:00:00",""
"4032760","5.943","0.0002","14.5054","0.0006","25.4785","0.0011","90","","90","","90","","2196.39","0.15","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N6 -","- C26 H30 N6 -","- C104 H120 N24 -","4","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.1382","0.0836","","","0.1263","0.1445","","","","","","1.13","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032761","18.3256","0.0002","10.8929","0.0001","21.4142","0.0003","90","","90","","90","","4274.68","0.09","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 -","- C22 H26 N6 -","- C176 H208 N48 -","8","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.0596","0.047","","","0.1071","0.1139","","","","","","1.101","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032762","15.9473","0.0015","33.829","0.004","6.8715","0.0009","90","","90","","90","","3707","0.7","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C168 H184 N24 O8 -","4","0.5","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.2107","0.1051","","","0.1767","0.2152","","","","","","1.134","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032763","7.4869","0.0006","5.5397","0.0005","22.6003","0.0018","90","","90.853","0.001","90","","937.25","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0499","0.0465","","","0.1263","0.1302","","","","","","1.058","","","","has coordinates,has disorder","204821","2020-10-21","18:00:00",""
"4032764","13.22","0.012","14.636","0.012","14.987","0.014","90","","91.27","0.03","90","","2899","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18-dimethyl- 21-carbaporphyrin","","- C35 H39 N3 O4 -","- C35 H39 N3 O4 -","- C140 H156 N12 O16 -","4","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0925","0.0624","","","0.1506","0.1633","","","","","","1.137","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032765","9.289","0.0011","11.9696","0.0013","14.6981","0.0014","98.622","0.004","98.649","0.005","98.902","0.007","1570.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)palladium(II)","","- C36 H39 N3 O4 Pd -","- C36 H39 N3 O4 Pd -","- C72 H78 N6 O8 Pd2 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0497","0.0323","","","0.0603","0.0651","","","","","","1.031","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032766","9.3067","0.0004","14.4582","0.0006","23.3519","0.0009","91.141","0.003","90.468","0.003","94.066","0.003","3133.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)nickel(II)","","- C36 H39 N3 Ni O4 -","- C36 H39 N3 Ni O4 -","- C144 H156 N12 Ni4 O16 -","4","2","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0804","0.0382","","","0.0828","0.0925","","","","","","0.883","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032767","12.093","0.002","12.1052","0.0019","12.739","0.002","66.264","0.007","71.517","0.008","61.662","0.007","1484","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8,12,13,17-tetraethyl-2,2-di(methoxycarbonyl)-7,18-dimethyl- 2,3-dihydro-21-carbaporphyrin","","- C35 H41 N3 O4 -","- C35 H41 N3 O4 -","- C70 H82 N6 O8 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.1258","0.0715","","","0.1872","0.2245","","","","","","1.017","","","","has coordinates,has disorder","202740","2020-10-21","18:00:00",""
"4032768","18.2454","0.0008","7.4219","0.0003","18.7073","0.0007","90","","114.262","0.002","90","","2309.51","0.17","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 O6 -","- C56 H72 O6 -","- C112 H144 O12 -","2","0.5","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.087","0.0545","","","0.1305","0.1478","","","","","","1.025","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032769","9.2936","0.0004","10.1589","0.0004","17.9869","0.0007","85.729","0.001","79.759","0.002","70.5","0.002","1575.07","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 O4 -","- C37 H48 O4 -","- C74 H96 O8 -","2","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","","1.54178","CuKα","","0.0428","0.0366","","","0.0945","0.0992","","","","","","1.032","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032770","16.1982","0.0005","8.0127","0.0003","19.7384","0.0007","90","","96.427","0.003","90","","2545.77","0.15","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.0855","0.0589","","","0.133","0.1471","","","","","","1.016","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032771","13.1127","0.0002","21.3124","0.0003","8.87124","0.0001","90","","101.344","","90","","2430.75","0.06","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 I N O5 S2 -","- C19 H18 F6 I N O5 S2 -","- C76 H72 F24 I4 N4 O20 S8 -","4","1","","Das, Prajwalita; Shibata, Norio","Electrophilic Triflyl-arylation and Triflyl-pyridylation by Unsymmetrical Aryl/Pyridyl-λ3-iodonium Salts: Synthesis of Aryl and Pyridyl Triflones.","The Journal of organic chemistry","2017","82","22","11915","11924","10.1021/acs.joc.7b01690","","","0.71075","MoKα","","","0.0358","","","","0.1385","","","","","","1.243","","","","has coordinates","204824","2020-10-21","18:00:00",""
"4032772","28.2486","0.0005","9.3345","0.0002","35.1839","0.0009","90","","103.793","0.0009","90","","9010","0.3","100","0.5","100","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C53 H33 B Cl6 F2 N2 -","- C53 H33 B Cl6 F2 N2 -","- C424 H264 B8 Cl48 F16 N16 -","8","1","","Zhao, Ning; Xuan, Sunting; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic and Cellular Properties of Near-IR [a]Phenanthrene-Fused 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes.","The Journal of organic chemistry","2017","82","18","9744","9750","10.1021/acs.joc.7b01940","","","0.71073","MoKα","","0.1056","0.0549","","","0.1227","0.1435","","","","","","1.018","","","","has coordinates","202738","2020-10-21","18:00:00",""
"4032773","6.61954","0.00008","13.75433","0.00017","16.9835","0.0002","90","","90","","90","","1546.3","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Thomson, James E.","Structural Revision of the Hancock Alkaloid (-)-Galipeine.","The Journal of organic chemistry","2017","82","19","10673","10679","10.1021/acs.joc.7b01720","","","1.54184","CuKα","","0.0308","0.0305","","0.0781","0.0777","0.0781","","","","","","1.0246","","","","has coordinates","202699","2020-10-21","18:00:00",""
"4032774","13.946","0.002","9.9498","0.0009","14.897","0.002","90","","97.21","0.02","90","","2050.8","0.5","295.15","0.1","295.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 I2 O4 -","- C22 H18 I2 O4 -","- C88 H72 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0705","0.0504","","","0.1115","0.1323","","","","","","1.041","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032775","14.4274","0.0007","13.887","0.0006","16.6402","0.0009","90","","109.066","0.006","90","","3151","0.3","296","0.3","296","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Br2 I2 O4 -","- C34 H24 Br2 I2 O4 -","- C136 H96 Br8 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.71073","MoKα","","0.1234","0.0631","","","0.1342","0.1743","","","","","","1.028","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032776","13.6316","0.0005","11.6665","0.0005","14.3791","0.0007","90","","104.063","0.004","90","","2218.22","0.17","290.58","0.1","290.58","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 I2 O4 -","- C24 H22 I2 O4 -","- C96 H88 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0614","0.0471","","","0.1103","0.1227","","","","","","1.065","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032777","15.8653","0.0004","9.9024","0.0003","16.176","0.0006","90","","105.381","0.003","90","","2450.3","0.14","239","4","239","4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 I2 O4 -","- C26 H26 I2 O4 -","- C104 H104 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.058","0.0424","","","0.0898","0.1026","","","","","","1.043","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032778","10.2367","0.0004","10.4404","0.0004","21.1129","0.0007","90","","90","","90","","2256.45","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C104 H96 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0259","0.0249","","","0.0612","0.0618","","","","","","1.067","","","","has coordinates","202688","2020-10-21","18:00:00",""
"4032779","8.9326","0.0002","13.1164","0.0003","14.6638","0.0004","90","0","93.0302","0.0012","90","0","1715.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","2","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0342","0.0308","","","0.0699","0.0724","","","","","","1.1","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032780","9.0437","0.0002","13.1451","0.0003","15.6669","0.0004","90","","90","","90","","1862.49","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F3 N2 O6 -","- C18 H19 F3 N2 O6 -","- C72 H76 F12 N8 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0299","0.0278","","","0.064","0.0656","","","","","","0.958","","","","has coordinates,has disorder","202688","2020-10-21","18:00:00",""
"4032781","7.5159","0.0002","8.9376","0.0003","12.5585","0.0004","97.164","0.001","94.788","0.001","92.485","0.002","832.87","0.04","120","","120","","","","","","","","","4","P -1","-P 1","2","","Ethyl (±)-2-(((2R*,6R*)-4,4-dimethyl-2-oxido-6-phenyl -1,3,2-dioxaphosphinan-2-yl)oxy)-acrylate","","- C16 H21 O6 P -","- C16 H21 O6 P -","- C32 H42 O12 P2 -","2","1","","Malová Križková, Petra; Prechelmacher, Susanne; Roller, Alexander; Hammerschmidt, Friedrich","Chemical Synthesis of (RP)- and (SP)-[(16)O,(17)O,(18)O]Phosphoenol Pyruvate.","The Journal of organic chemistry","2017","82","19","10310","10318","10.1021/acs.joc.7b01783","","","0.71073","MoKα","","0.0407","0.0345","","","0.0852","0.0893","","","","","","1.04","","","","has coordinates","202690","2020-10-21","18:00:00",""
"4032782","9.2074","0.0017","11.5642","0.0005","9.5785","0.0018","90","","118.017","0.011","90","","900.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C34 H52 O12 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh G.; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized β-Lactones by NHC-Catalyzed Aldol Lactonization of Ketoacids.","The Journal of organic chemistry","2017","82","17","9223","9228","10.1021/acs.joc.7b01526","","","1.54184","CuKα","","0.0226","0.0226","","","0.0652","0.0653","","","","","","1.019","","","","has coordinates","200453","2020-10-21","18:00:00",""
"4032783","6.8762","0.0004","14.6452","0.0008","15.4808","0.0009","90","","101.713","0.004","90","","1526.51","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Sarkar, Debayan; Rout, Nilendri; Ghosh, Manoj Kumar; Giri, Santanab; Neue, Kornelius; Reuter, Hans","Atom-Economical Palladium Carbon-Catalyzed de Novo Synthesis of Trisubstituted Nicotinonitriles.","The Journal of organic chemistry","2017","82","17","9012","9022","10.1021/acs.joc.7b01332","","","0.71073","MoKα","","0.0786","0.0502","","","0.1199","0.1361","","","","","","1.04","","","","has coordinates","200454","2020-10-21","18:00:00",""
"4032784","21.142","0.002","4.242","0.0004","10.6198","0.001","90","","90","","90","","952.43","0.16","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0333","0.0324","","","0.0788","0.0793","","","","","","1.171","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032785","9.1992","0.0008","4.6213","0.0003","25.2188","0.0018","90","","93.384","0.004","90","","1070.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O3 -","- C11 H9 N3 O3 -","- C44 H36 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0694","0.0646","","","0.1787","0.1831","","","","","","1.083","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032786","8.9557","0.0003","26.4849","0.001","4.792","0.0002","90","","90","","90","","1136.62","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0496","0.0445","","","0.109","0.1114","","","","","","1.073","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032787","4.8424","0.0002","9.2176","0.0004","27.531","0.0011","90","","90","","90","","1228.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F3 N3 O3 -","- C12 H8 F3 N3 O3 -","- C48 H32 F12 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0333","","","0.0739","0.0767","","","","","","1.069","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032788","6.9102","0.0002","7.5569","0.0003","21.8746","0.0007","95.895","0.002","96.939","0.002","94.396","0.002","1123.32","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0732","0.0573","","","0.1511","0.1612","","","","","","1.078","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032789","7.693","0.0002","6.6662","0.0002","7.3655","0.0002","90","","101.9","0.0012","90","","369.608","0.018","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","0.5","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0232","0.0232","","","0.0606","0.0606","","","","","","1.129","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032790","11.0134","0.0006","9.5835","0.0005","19.539","0.001","90","","90","","90","","2062.28","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0446","0.0346","","","0.0827","0.0891","","","","","","1.045","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032791","17.164","0.0007","4.9032","0.0002","11.0678","0.0004","90","","90","","90","","931.45","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0346","0.0335","","","0.0868","0.0879","","","","","","1.059","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032792","10.0313","0.001","3.8374","0.0004","25.196","0.002","90","","96.953","0.006","90","","962.76","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0491","0.0436","","","0.118","0.1222","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032793","3.7941","0.0002","13.5676","0.001","18.5776","0.0013","90","","90.69","0.004","90","","956.25","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0417","0.0352","","","0.0907","0.094","","","","","","1.061","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032794","11.9915","0.0003","14.3694","0.0004","11.2447","0.0003","90","","102.04","0.0011","90","","1894.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C80 H48 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0464","0.0354","","","0.0769","0.0828","","","","","","1.089","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032795","3.79733","0.00006","11.3573","0.0002","26.8872","0.0004","90","","91.2826","0.001","90","","1159.28","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0329","","","0.0796","0.084","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032796","13.7446","0.0009","10.6979","0.0007","16.3339","0.0011","90","","110.418","0.001","90","","2250.8","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H9 N3 O4 S -","- C10 H9 N3 O4 S -","- C80 H72 N24 O32 S8 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0741","0.049","","","0.1272","0.1458","","","","","","1.047","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032797","17.4187","0.0005","4.9357","0.0001","20.9705","0.0006","90","","90","","90","","1802.91","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C64 H40 N40 O32 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0324","0.028","","","0.069","0.0742","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032798","18.6126","0.0008","26.1321","0.0012","8.1858","0.0004","90","","90","","90","","3981.5","0.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C128 H80 N80 O64 -","16","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0388","0.0373","","","0.0983","0.1002","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032799","3.82","0.0003","13.4306","0.0011","17.8756","0.0014","90","","91.917","0.003","90","","916.59","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C36 H20 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0687","0.0522","","","0.1265","0.1441","","","","","","1.192","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032800","6.9695","0.0002","11.9143","0.0003","22.1069","0.0006","90","","90","","90","","1835.68","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C72 H40 N40 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0398","0.0323","","","0.0774","0.0817","","","","","","1.048","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032801","3.7784","0.0001","24.5524","0.0006","9.8852","0.0003","90","","97.1767","0.0016","90","","909.85","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Br N4 O2 -","- C8 H5 Br N4 O2 -","- C32 H20 Br4 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0245","0.0213","","","0.0451","0.0461","","","","","","1.152","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032802","16.8784","0.0002","6.79041","0.0001","17.2448","0.0003","90","","105.835","0.0008","90","","1901.45","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I N4 O2 -","- C8 H5 I N4 O2 -","- C64 H40 I8 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.037","0.03","","","0.0597","0.0621","","","","","","1.072","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032803","5.9065","0.0002","23.8475","0.0007","6.561","0.0002","90","","106.476","0.0009","90","","886.2","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br N5 O2 -","- C7 H4 Br N5 O2 -","- C28 H16 Br4 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0247","0.0207","","","0.0459","0.0472","","","","","","1.16","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032804","3.9074","0.0001","12.9574","0.0005","18.5066","0.0007","90","","90","","90","","936.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0397","0.0384","","","0.1072","0.1082","","","","","","1.084","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032805","7.8683","0.0005","11.5556","0.0008","11.5585","0.0008","90","","96.3412","0.0011","90","","1044.5","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 F3 N3 O2 -","- C10 H6 F3 N3 O2 -","- C40 H24 F12 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0441","0.038","","","0.0965","0.1021","","","","","","1.042","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032806","3.81","0.0002","26.9866","0.0017","11.1734","0.0007","90","","94.412","0.004","90","","1145.43","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0372","0.0355","","","0.09","0.0911","","","","","","1.061","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032807","11.9252","0.001","11.1719","0.0009","14.2655","0.0012","90","","100.883","0.0014","90","","1866.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 Br N3 O2 -","- C9 H6 Br N3 O2 -","- C72 H48 Br8 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0248","0.021","","","0.0573","0.0585","","","","","","1.112","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032808","7.2479","0.0008","16.0198","0.0018","10.5934","0.0012","90","","99.1343","0.0018","90","","1214.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.046","0.0358","","","0.0911","0.0978","","","","","","1.032","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032809","10.951","0.0007","11.4414","0.0007","11.9203","0.0007","86.741","0.005","63.415","0.006","86.611","0.005","1332.53","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","2","","Liu, Yi; Nie, Gang; Zhou, Zhongzhen; Jia, Lihui; Chen, Yunfeng","Copper-Catalyzed Oxidative Cross-Dehydrogenative Coupling/Oxidative Cycloaddition: Synthesis of 4-Acyl-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","17","9198","9203","10.1021/acs.joc.7b01429","","","0.71073","MoKα","","0.0763","0.0477","","","0.1104","0.1308","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032810","7.531","0.002","8.12","0.003","23.756","0.008","90","","94.41","0.007","90","","1448.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Biswas, Aniruddha; Karmakar, Ujjwal; Nandi, Shiny; Samanta, Rajarshi","Copper-Catalyzed Direct, Regioselective Arylamination of N-Oxides: Studies To Access Conjugated π-Systems.","The Journal of organic chemistry","2017","82","17","8933","8942","10.1021/acs.joc.7b01343","","","0.71073","MoKα","","0.1534","0.0745","","","0.1995","0.2842","","","","","","0.953","","","","has coordinates","200458","2020-10-21","18:00:00",""
"4032811","10.181","0.002","11.283","0.002","18.953","0.004","90","","99.67","0.03","90","","2146.2","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C108 H92 N4 O8 -","4","1","","Liu, Yunyun; Zhang, Yi; Wan, Jie-Ping","Multicomponent Synthesis of Diverse o-Arylated Benzamides via o-Aminophenol (OAP) Directed C(sp(2))-H Arylation.","The Journal of organic chemistry","2017","82","17","8950","8957","10.1021/acs.joc.7b01375","","","0.71073","MoKα","","0.073","0.0432","","","0.1121","0.1331","","","","","","1.093","","","","has coordinates","200459","2020-10-21","18:00:00",""
"4032812","13.3569","0.0002","8.15707","0.00012","17.6178","0.0003","90","","107.156","0.0009","90","","1834.1","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Garve, Lennart K. B.; Kreft, Alexander; Jones, Peter G.; Werz, Daniel B.","Synthesis of 2-Unsubstituted Pyrrolidines and Piperidines from Donor-Acceptor Cyclopropanes and Cyclobutanes: 1,3,5-Triazinanes as Surrogates for Formylimines.","The Journal of organic chemistry","2017","82","17","9235","9242","10.1021/acs.joc.7b01631","","","1.54184","CuKα","","0.0333","0.0286","","","0.0709","0.0746","","","","","","1.046","","","","has coordinates","200460","2020-10-21","18:00:00",""
"4032813","10.5537","0.0016","8.9576","0.0013","11.7956","0.0019","90","","113.549","0.003","90","","1022.2","0.3","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Tang, Mi; Sun, Rengwei; Li, Hao; Yu, Xinhong; Wang, Wei","An Unconventional Redox Cross Claisen Condensation-Aromatization of 4-Hydroxyprolines with Ketones.","The Journal of organic chemistry","2017","82","16","8419","8425","10.1021/acs.joc.7b01033","","","0.71073","MoKα","","0.0734","0.0506","","","0.1206","0.133","","","","","","1.031","","","","has coordinates","200461","2020-10-21","18:00:00",""
"4032814","17.0424","0.0008","5.8162","0.0003","21.1265","0.0012","90","","91.919","0.005","90","","2092.93","0.19","289.86","0.1","289.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O4 S -","- C25 H19 N O4 S -","- C100 H76 N4 O16 S4 -","4","1","","Zhu, Xin-Yu; Li, Ming; Han, Ya-Ping; Chen, Si; Li, Xue-Song; Liang, Yong-Min","Copper-Catalyzed Oxidative Cyclization of Alkynes with Sulfonylhydrazides Leading to 2-Sulfonated 9H-pyrrolo[1,2-a]indol-9-ones.","The Journal of organic chemistry","2017","82","16","8761","8768","10.1021/acs.joc.7b01497","","","0.71073","MoKα","","0.114","0.0633","","","0.1368","0.1746","","","","","","1.044","","","","has coordinates,has disorder","200462","2020-10-21","18:00:00",""
"4032815","12.2306","0.0004","9.0943","0.0003","13.4271","0.0005","90","","114.092","0.0008","90","","1363.38","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1S,2R,4S,5R)-2-((S)-hydroxy(1-methylquinolin-1-ium-4-yl) methyl)-1-(4-nitrobenzyl)-5-vinylquinuclidin-1-ium Iodide Bromide Monohydrate","","- C27 H33 Br I N3 O4 -","- C27 H33 Br I N3 O4 -","- C54 H66 Br2 I2 N6 O8 -","2","1","","He, Cyndi Qixin; Simon, Adam; Lam, Yu-Hong; Brunskill, Andrew P. J.; Yasuda, Nobuyoshi; Tan, Jiajing; Hyde, Alan M.; Sherer, Edward C.; Houk, K. N.","Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts.","The Journal of organic chemistry","2017","82","16","8645","8650","10.1021/acs.joc.7b01577","","","1.54178","CuKα","","0.0474","0.0474","","","0.1256","0.1256","","","","","","1.064","","","","has coordinates","200463","2020-10-21","18:00:00",""
"4032816","11.377","0.005","30.75","0.014","15.411","0.007","90","","91.92","0.006","90","","5388","4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 O5 -","- C29 H36 O5 -","- C232 H288 O40 -","8","2","","Yuan, Zhenbo; Liu, Lina; Pan, Rui; Yao, Hequan; Lin, Aijun","Silver-Catalyzed Cascade 1,6-Addition/Cyclization of para-Quinone Methides with Propargyl Malonates: An Approach to Spiro[4.5]deca-6,9-dien-8-ones.","The Journal of organic chemistry","2017","82","16","8743","8751","10.1021/acs.joc.7b01400","","","0.71073","MoKα","","0.1193","0.0664","","","0.1675","0.1898","","","","","","0.978","","","","has coordinates","200464","2020-10-21","18:00:00",""
"4032817","16.13","0.003","10.2406","0.0018","23.601","0.004","90","","102.039","0.003","90","","3812.7","1.2","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H8 S4 -","- C70 H8 S4 -","- C280 H32 S16 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1097","0.083","","","0.2133","0.2273","","","","","","1.114","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032818","10.158","0.0012","19.515","0.002","23.955","0.003","90","","94.195","0.002","90","","4736","0.9","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H16 S6 -","- C79 H16 S6 -","- C316 H64 S24 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1171","0.0689","","","0.1627","0.1934","","","","","","1.019","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032819","22.3397","0.0019","10.2812","0.0009","20.0732","0.0017","90","","100.056","0.001","90","","4539.6","0.7","188","2","188","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H9 Cl3 -","- C39 H9 Cl3 -","- C312 H72 Cl24 -","8","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.0791","0.0562","","","0.1321","0.1469","","","","","","1.028","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032820","22.5926","0.0006","17.1813","0.0004","24.2882","0.0006","90","","116.291","0.001","90","","8452.7","0.4","190","2","190","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C82 H22 -","- C82 H22 -","- C656 H176 -","8","2","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","1.54184","CuKα","","0.0672","0.0431","","","0.0994","0.1108","","","","","","1.045","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032821","12.785","0.006","20.503","0.009","7.913","0.003","90","","96.022","0.013","90","","2062.8","1.5","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O3 -","- C25 H18 Br N O3 -","- C100 H72 Br4 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhang, Guo-Wei; Wang, Dawei; Zhu, Su-Li","Visible-Light Induced and Oxygen-Promoted Oxidative Cyclization of Aromatic Enamines for the Synthesis of Quinolines Derivatives.","The Journal of organic chemistry","2017","82","16","8455","8463","10.1021/acs.joc.7b01206","","","0.71073","MoKα","","0.066","0.0447","","","0.1057","0.1222","","","","","","1.05","","","","has coordinates","200467","2020-10-21","18:00:00",""
"4032822","9.2638","0.0008","10.2009","0.0009","14.8127","0.0012","72.639","0.002","83.77","0.002","65.418","0.002","1214.73","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C54 H54 O6 P2 S2 -","2","1","","Luo, Kai; Zhang, Ling; Ma, Jing; Sha, Qiang; Wu, Lei","Acetic Acid Mediated Sulfonylation of Allenylphosphine Oxides: Divergent Synthesis of Bifunctionalized 1,3-Butadienes and Allenes.","The Journal of organic chemistry","2017","82","13","6978","6985","10.1021/acs.joc.7b00813","","","0.71073","MoKα","","0.1004","0.065","","","0.1592","0.1726","","","","","","1.06","","","","has coordinates","200468","2020-10-21","18:00:00",""
"4032823","8.57829","0.00016","18.2622","0.0003","15.8812","0.0003","90","","95.524","0.007","90","","2476.37","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O3 Si -","- C24 H29 F3 N2 O3 Si -","- C96 H116 F12 N8 O12 Si4 -","4","2","","Matsuzawa, Akinobu; Noda, Hidetoshi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Addition of an α-CF3 Amide to Arylglyoxal Hydrates.","The Journal of organic chemistry","2017","82","15","8304","8308","10.1021/acs.joc.7b01381","","","1.54187","CuKα","","0.0394","0.036","","","0.0949","0.0998","","","","","","1.123","","","","has coordinates","200469","2020-10-21","18:00:00",""
"4032824","10.415","0.002","12.716","0.003","10.387","0.002","90","","110.369","0.005","90","","1289.6","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Chu, Haoke; Dai, Qiang; Jiang, Yan; Cheng, Jiang","Synthesis of 2-Amino-3-hydroxy-3H-indoles via Palladium-Catalyzed One-Pot Reaction of Isonitriles, Oxygen, and N-Tosylhydrazones Derived from 2-Acylanilines.","The Journal of organic chemistry","2017","82","15","8267","8272","10.1021/acs.joc.7b01195","","","0.71073","MoKα","","0.089","0.058","","","0.1484","0.1724","","","","","","1.042","","","","has coordinates","200470","2020-10-21","18:00:00",""
"4032825","7.3153","0.0001","31.4358","0.0003","7.8245","0.0001","90","","94.8743","0.0008","90","","1792.83","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H23 O7.5 -","- C18 H23 O7.5 -","- C72 H92 O30 -","4","2","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0309","0.0306","","0.0788","0.0786","0.0788","","","","","","1","","","","has coordinates","200471","2020-10-21","18:00:00",""
"4032826","8.1119","0.0008","9.8266","0.0011","11.556","0.0012","76.289","0.009","86.458","0.008","78.125","0.009","875.67","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Zhao, Xuna; Liu, Tong-Xin; Ma, Nana; Zhang, Guisheng","In Situ Generated TEMPO Oxoammonium Salt Mediated Tandem Cyclization of β-Oxoamides with Amine Hydrochlorides for the Synthesis of Pyrrolin-4-ones.","The Journal of organic chemistry","2017","82","12","6125","6132","10.1021/acs.joc.7b00686","","","1.54184","CuKα","","0.0509","0.039","","","0.0971","0.109","","","","","","1.032","","","","has coordinates","200472","2020-10-21","18:00:00",""
"4032827","14.7063","0.0004","10.0708","0.0003","14.2801","0.0004","90","","101.103","0.001","90","","2075.36","0.1","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","1","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","1.54178","CuKα","","0.0361","0.0331","","","0.0864","0.0888","","","","","","1.067","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032828","9.136","0.007","8.483","0.007","13.462","0.009","90","","100.47","0.02","90","","1025.9","1.3","199","2","199","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","0.5","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","0.71073","MoKα","","0.1173","0.0716","","","0.1739","0.2009","","","","","","1.053","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032829","10.0344","0.0002","10.3739","0.0002","11.6159","0.0002","87.53","0.001","67.052","0.001","61.903","0.001","967.44","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0206","0.0205","","","0.0532","0.0533","","","","","","1.035","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032830","9.633","0.0008","9.8645","0.0008","10.6804","0.0009","109.007","0.001","106.612","0.001","93.966","0.001","904.65","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 I O4 S -","- C18 H14 F3 I O4 S -","- C36 H28 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0147","0.0142","","","0.038","0.0384","","","","","","0.974","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032831","9.9635","0.0004","10.1328","0.0004","11.7246","0.0004","91.875","0.001","111.958","0.001","112.635","0.001","991.46","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0149","0.0147","","","0.0427","0.0429","","","","","","1.039","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032832","9.9729","0.0005","10.6715","0.0005","12.206","0.0006","102.541","0.001","111.255","0.001","108.094","0.001","1068.12","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F3 I O4 S -","- C21 H20 F3 I O4 S -","- C42 H40 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0189","0.0178","","","0.0441","0.0447","","","","","","1.08","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032833","14.6631","0.0015","6.8524","0.0007","23.29","0.002","90","","99.566","0.005","90","","2307.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F9 I O4 S -","- C21 H14 F9 I O4 S -","- C84 H56 F36 I4 O16 S4 -","4","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0524","0.0495","","","0.145","0.1477","","","","","","1.133","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032834","7.1678","0.0009","10.6157","0.0014","14.7091","0.0019","84.423","0.011","85.186","0.011","77.35","0.011","1084.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 S2 -","- C24 H16 N4 O4 S2 -","- C48 H32 N8 O8 S4 -","2","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.141","0.1072","","","0.2896","0.3227","","","","","","1.093","","","","has coordinates,has disorder","202689","2020-10-21","18:00:00",""
"4032835","10.81","0.0008","14.1314","0.0016","8.1358","0.0006","90","","90","","90","","1242.83","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C48 H40 N8 O8 S8 -","4","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.0375","0.0325","","","0.0865","0.0909","","","","","","1.067","","","","has coordinates","202689","2020-10-21","18:00:00",""
"4032836","30.731","0.002","29.5041","0.0019","11.0727","0.0007","90","","95.596","0.002","90","","9991.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 N4 O4 -","- C52 N4 O4 -","- C416 N32 O32 -","8","2","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1633","0.1141","","","0.3001","0.3345","","","","","","1.0989","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032837","10.9966","0.0016","11.7042","0.0016","17.918","0.003","74.512","0.004","86.687","0.004","86.239","0.004","2215.7","0.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C56 N4 O4 -","- C56 N4 O4 -","- C112 N8 O8 -","2","1","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1358","0.0982","","","0.2689","0.3129","","","","","","1.0882","","","","has coordinates,has disorder","202692","2020-10-21","18:00:00",""
"4032838","9.3519","0.0019","9.4398","0.0019","11.185","0.002","95.51","0.004","114.285","0.004","101.901","0.004","862.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br F2 -","- C24 H13 Br F2 -","- C48 H26 Br2 F4 -","2","1","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0447","0.0347","","","0.0891","0.0942","","","","","","1.032","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032839","11.5087","0.0018","12.063","0.0018","13.724","0.002","94.057","0.003","96.328","0.003","118.373","0.003","1649.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 Br S -","- C22 H13 Br S -","- C88 H52 Br4 S4 -","4","2","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0688","0.0455","","","0.1103","0.1216","","","","","","0.99","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032840","7.0234","0.0003","26.33","0.0009","7.4708","0.0003","90","","90.907","0.004","90","","1381.37","0.09","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","2","","Zhou, Bo; Li, Long; Liu, Xin; Tan, Tong-De; Liu, Jinxian; Ye, Long-Wu","Yttrium-Catalyzed Tandem Intermolecular Hydroalkoxylation/Claisen Rearrangement.","The Journal of organic chemistry","2017","82","19","10149","10157","10.1021/acs.joc.7b01612","","x-ray","1.54184","CuKα","","0.0514","0.0435","","","0.0931","0.1007","","","","","","1.016","","","","has coordinates","202710","2020-10-21","18:00:00",""
"4032841","4.5484","0.0004","12.7871","0.0012","13.9287","0.0014","115.468","0.009","91.873","0.007","97.603","0.007","721.31","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Li, Ting; Fu, Chen; Ma, Qinge; Sang, Zhipei; Yang, Yuhan; Yang, Hao; Lv, Rongrong; Li, Bo","Cobalt/Copper-Cocatalyzed Synthesis of Imidazo[1,2-a:3,4-a']dipyridiniums from 2H-[1,2'-Bipyridin]-2-ones and 2-Bromoacetophenones.","The Journal of organic chemistry","2017","82","19","10263","10270","10.1021/acs.joc.7b01742","","","0.71073","MoKα","","0.1193","0.0639","","","0.1533","0.1965","","","","","","0.922","","","","has coordinates","202686","2020-10-21","18:00:00",""
"4032842","11.8025","0.0007","20.7261","0.0013","24.3022","0.0015","90","","99.226","0.002","90","","5867.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N7 O24 -","- C55 H68 N7 O24 -","- C220 H272 N28 O96 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0981","0.0587","","","0.1646","0.21","","","","","","1.029","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032843","38.167","0.005","16.311","0.002","20.656","0.003","90","","109.581","0.004","90","","12116","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H69 N7 O24 -","- C55 H69 N7 O24 -","- C440 H552 N56 O192 -","8","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1299","0.0753","","","0.1969","0.2219","","","","","","1.024","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032844","19.851","0.003","14.2576","0.0019","23.979","0.003","90","","101.033","0.003","90","","6661.3","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 N7 O29 -","- C54 H72 N7 O29 -","- C216 H288 N28 O116 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1357","0.09","","","0.2396","0.2672","","","","","","1.088","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032845","12.0232","0.0016","14.837","0.002","21.708","0.003","100.853","0.004","94.193","0.004","107.65","0.004","3588.9","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PIM","PIM","","- C60 H85 N7 O24 -","- C60 H84 N7 O24 -","- C120 H168 N14 O48 -","2","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.142","0.1178","","","0.3399","0.3754","","","","","","1.661","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032846","12.685","0.002","17.544","0.003","29.713","0.005","90","","104.402","0.007","90","","6404.7","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 N7 O16 -","- C62 H88 N7 O16 -","- C248 H352 N28 O64 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0901","0.062","","","0.1498","0.1664","","","","","","1.072","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032847","12.2639","0.0008","12.7251","0.0008","22.7496","0.0015","87.293","0.002","87.843","0.002","79.827","0.002","3489","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","1","0.5","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1367","0.1078","","","0.3369","0.3703","","","","","","1.463","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032848","16.957","0.003","7.7224","0.0015","18.204","0.004","90","","90","","90","","2383.8","0.8","153.15","","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Wang, Xiaoxia; Li, Na; Li, Zhongfeng; Rao, Honghua","Copper-Catalyzed Dehydrogenative C(sp(2))-N Bond Formation via Direct Oxidative Activation of an Anilidic N-H Bond: Synthesis of Benzoimidazo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","19","10158","10166","10.1021/acs.joc.7b01617","","","0.71073","MoKα","","0.0966","0.0801","","","0.1663","0.1864","","","","","","1.209","","","","has coordinates","202677","2020-10-21","18:00:00",""
"4032849","7.3223","0.0013","5.9112","0.0009","16.224","0.005","90","","93.79","0.02","90","","700.7","0.3","291.13","0.1","291.13","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","x-ray","0.71073","MoKα","","0.315","0.1057","","","0.13","0.216","","","","","","0.979","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032850","9.4351","0.0007","5.8009","0.0003","13.4209","0.0014","90","","103.224","0.01","90","","715.08","0.1","289.6","0.2","289.6","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","","0.71073","MoKα","","0.0873","0.0557","","","0.0817","0.0985","","","","","","1.045","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032851","5.9265","0.0003","11.8003","0.0006","10.0928","0.0006","90","","98.24","0.006","90","","698.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F3 N O3 -","- C14 H16 F3 N O3 -","- C28 H32 F6 N2 O6 -","2","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0497","0.0436","","","0.1134","0.1192","","","","","","1.062","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032852","5.7347","0.00007","12.45975","0.00015","20.4676","0.0003","90","","90","","90","","1462.47","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O3 -","- C15 H18 F3 N O3 -","- C60 H72 F12 N4 O12 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0376","0.0369","","","0.0979","0.0989","","","","","","1.063","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032853","27.2782","0.0005","27.2782","0.0005","10.61163","0.00018","90","","90","","120","","6838.2","0.2","100","0.1","100","0.1","","","","","","","","5","R 3","R 3","146","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C252 H324 F54 N18 O36 -","18","","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0911","0.0826","","","0.2245","0.2364","","","","","","1.064","","","","has coordinates,has disorder","202703","2020-10-21","18:00:00",""
"4032854","9.9857","0.0006","14.0575","0.0007","11.098","0.0006","90","","109.932","0.007","90","","1464.55","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C56 H72 F12 N4 O8 -","4","2","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0619","0.0524","","","0.1372","0.1522","","","","","","1.05","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032855","9.5853","0.00014","10.83863","0.00013","20.3107","0.0002","90","","90","","90","","2110.11","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F3 N2 O -","- C25 H25 F3 N2 O -","- C100 H100 F12 N8 O4 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0523","0.0449","","","0.1081","0.1155","","","","","","1.047","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032856","11.2751","0.0003","9.9229","0.0003","20.6082","0.0007","90","","101.993","0.0016","90","","2255.36","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C104 H96 N8 O20 -","4","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.1321","0.0561","","0.1053","0.0668","0.0711","","","","","","1.1","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032857","5.13742","0.00016","9.0247","0.0003","13.0607","0.0005","90","","94.461","0.003","90","","603.71","0.04","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","1.54184","CuKα","","0.0278","0.0273","","0.0691","0.0686","0.0691","","","","","","1.0091","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032858","6.738","0.0002","9.4072","0.0003","19.3817","0.0008","99.2201","0.0014","98.4462","0.0014","95.3839","0.0018","1190.8","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0815","0.0656","","0.0871","0.0729","0.0707","","","","","","1.1205","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032859","14.5382","0.0002","10.7629","0.0002","22.8787","0.0004","90","","103.72","0.0008","90","","3477.76","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0604","0.0396","","0.0903","0.0825","0.0903","","","","","","0.9674","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032860","6.85883","0.00014","8.78905","0.00014","13.309","0.0002","98.1952","0.0012","100.839","0.001","92.0569","0.0007","778.32","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","YWS-267-2","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1088","0.0601","","","0.1498","0.178","","","","","","1.041","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032861","10.4633","0.0002","52.1683","0.0012","9.0153","0.0002","90","","105.651","0.0012","90","","4738.57","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PSJ-2510-up","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C204 H156 F36 N24 O24 -","12","3","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1725","0.0963","","","0.1424","0.1668","","","","","","1.085","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032862","8.981","0.0006","9.1535","0.0005","20.8614","0.0014","90","","90","","90","","1714.97","0.19","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br F N O3 S -","- C17 H15 Br F N O3 S -","- C68 H60 Br4 F4 N4 O12 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.0435","0.0344","","","0.0878","0.0939","","","","","","1.035","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032863","8.5286","0.0004","10.1752","0.0004","21.0585","0.0007","90","","90","","90","","1827.46","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F O4 S -","- C18 H16 Br F O4 S -","- C72 H64 Br4 F4 O16 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.037","0.0289","","","0.0616","0.064","","","","","","1.061","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032864","11.8453","0.0011","12.0707","0.0012","12.4256","0.0012","88.758","0.002","71.129","0.001","73.239","0.001","1604.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 N2 -","- C40 H40 N2 -","- C80 H80 N4 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.1279","0.0558","","","0.1281","0.1554","","","","","","0.84","","","","has coordinates,has disorder","202711","2020-10-21","18:00:00",""
"4032865","8.4609","0.0007","12.4431","0.0011","8.234","0.0008","90","","99.375","0.002","90","","855.3","0.13","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C24 H17 N -","- C24 H17 N -","- C48 H34 N2 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.0831","0.0486","","","0.1286","0.1518","","","","","","1.008","","","","has coordinates","202711","2020-10-21","18:00:00",""
"4032866","9.1169","0.0019","10.066","0.002","13.129","0.003","90","","90","","90","","1204.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1'S,2'R,3'S,4'R)-3'-bromo-2',4'-dihydroxy-3',4'-dihydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5(4H)-one","","","- C13 H13 Br O4 -","- C13 H13 Br O4 -","- C52 H52 Br4 O16 -","4","1","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0199","0.019","","","0.0456","0.0458","","","","","","1.02","","","","has coordinates","204822","2020-10-21","18:00:00",""
"4032867","9.1853","0.0012","18.882","0.002","13.3012","0.0017","89.973","0.002","92.232","0.002","90.086","0.002","2305.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","(S)-3'-bromo-2'H,3H-spiro[furan-2,1'-naphthalene]-2',5(4H)-dione","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C104 H72 Br8 O24 -","8","8","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0365","0.0285","","","0.0622","0.0645","","","","","","0.912","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032868","21.23","0.03","4.782","0.007","16.45","0.03","90","","96.883","0.019","90","","1658","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Yang, Xing; Pang, Shuai; Cheng, Feng; Zhang, Yue; Lin, Ya-Wei; Yuan, Quan; Zhang, Fang-Lin; Huang, Yi-Yong","Enantioselective Synthesis of 1,3-Disubstituted 1,3-Dihydroisobenzofurans via a Cascade Allylboration/Oxo-Michael Reaction of o-Formyl Chalcones Catalyzed by a Chiral Phosphoric Acid.","The Journal of organic chemistry","2017","82","19","10388","10397","10.1021/acs.joc.7b01856","","","0.71073","MoKα","","0.175","0.0628","","","0.1323","0.1821","","","","","","0.952","","","","has coordinates","202694","2020-10-21","18:00:00",""
"4032869","6.01068","0.00012","50.8074","0.0009","10.7946","0.00019","90","","106.165","0.0004","90","","3166.19","0.1","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 Br O5 -","- C35 H47 Br O5 -","- C140 H188 Br4 O20 -","4","2","","Kikuchi, Takashi; Horii, Yui; Maekawa, Yukina; Masumoto, Yuki; In, Yasuko; Tomoo, Koji; Sato, Hiroyasu; Yamano, Akihito; Yamada, Takeshi; Tanaka, Reiko","Pleurocins A and B: Unusual 11(9 →7)-abeo-Ergostanes and Eringiacetal B: A 13,14-seco-13,14-Epoxyergostane from Fruiting Bodies of Pleurotus eryngii and Their Inhibitory Effects on Nitric Oxide Production.","The Journal of organic chemistry","2017","82","19","10611","10616","10.1021/acs.joc.7b01259","","","1.54187","CuKα","","0.0895","0.0879","","","0.2491","0.2524","","","","","","1.049","","","","has coordinates","202708","2020-10-21","18:00:00",""
"4032870","4.714","0.0001","9.5506","0.0003","12.6537","0.0003","80.792","0.002","86.831","0.002","76.742","0.002","547.26","0.03","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N8 -","- C10 H12 N8 -","- C20 H24 N16 -","2","1","","Ahmed, Basil M.; Rudell, Nicholas A.; Soto, Ixtlazihuatl; Mezei, Gellert","Reaction of Amines with Aldehydes and Ketones Revisited: Access To a Class of Non-Scorpionate Tris(pyrazolyl)methane and Related Ligands.","The Journal of organic chemistry","2017","82","19","10549","10562","10.1021/acs.joc.7b02070","","","0.71073","MoKα","","0.055","0.0395","","","0.1025","0.1228","","","","","","1.074","","","","has coordinates","202672","2020-10-21","18:00:00",""
"4032871","11.37","0.004","9.159","0.003","21.98","0.007","90","","102.338","0.011","90","","2236.1","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","1","","Zhang, Jiayong; Cheng, Cheng; Wang, Dian; Miao, Zhiwei","Regio- and Diastereoselective Construction of Spirocyclopenteneoxindoles through Phosphine-Catalyzed [3 + 2] Annulation of Methyleneindolinone with Alkynoate Derivatives.","The Journal of organic chemistry","2017","82","19","10121","10128","10.1021/acs.joc.7b01582","","","1.54187","CuKα","","0.0415","0.0405","","","0.1147","0.1156","","","","","","1.078","","","","has coordinates","202682","2020-10-21","18:00:00",""
"4032872","5.14336","0.00016","16.7956","0.0005","18.7002","0.0006","90","","90","","90","","1615.43","0.09","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0393","0.0352","","","0.0871","0.0905","","","","","","1.039","","","","has coordinates","202697","2020-10-21","18:00:00",""
"4032873","10.5287","0.0004","9.9246","0.0004","14.8794","0.0006","90","","104.141","0.002","90","","1507.68","0.1","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","x-ray","0.71073","MoKα","","0.0413","0.0355","","","0.0832","0.0869","","","","","","1.0526","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032874","9.787","0.005","12.007","0.005","27.226","0.005","90","","90","","90","","3199","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C96 H200 N24 O24 -","8","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0402","0.0383","","","0.0965","0.0986","","","","","","1.0606","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4032875","13.1619","0.0008","13.8635","0.0004","8.2762","0.0003","90","","101.23","0.005","90","","1481.24","0.12","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C72 H58 Br2 N8 Ni2 -","2","0.5","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0727","0.0608","","","0.16","0.1702","","","","","","1.087","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032876","12.6966","0.0003","27.8406","0.0007","8.1912","0.0002","90","","98.977","0.002","90","","2859.97","0.12","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C144 H116 Br4 N16 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0491","0.0445","","","0.1288","0.1403","","","","","","1.272","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032877","9.723","0.0004","25.4861","0.0011","15.9516","0.0005","90","","106.565","0.004","90","","3788.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl2 N5 Ni -","- C45 H41 Cl2 N5 Ni -","- C180 H164 Cl8 N20 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71073","MoKα","","0.0651","0.0531","","","0.1257","0.1347","","","","","","1.054","","","","has coordinates","202706","2020-10-21","18:00:00",""
"4032878","8.631","0.0004","6.1744","0.0003","20.4789","0.001","90","","101.241","0.001","90","","1070.41","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0278","0.0277","","","0.0738","0.0739","","","","","","1.06","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032879","12.6744","0.0007","5.1327","0.0003","16.2796","0.0009","90","","110.498","0.002","90","","992","0.1","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O2 -","- C26 H26 O2 -","- C52 H52 O4 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0274","0.0271","","","0.0711","0.0714","","","","","","1.034","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032880","5.7218","0.0005","14.0188","0.0012","24.109","0.002","90","","90","","90","","1933.8","0.3","273.15","","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54178","CuKα","","0.0297","0.0294","","","0.0778","0.078","","","","","","1.103","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032881","21.309","0.003","23.961","0.003","13.3093","0.0019","90","","121.45","0.002","90","","5797.2","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 B F2 N3 O8 -","- C60 H62 B F2 N3 O8 -","- C240 H248 B4 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.0853","0.0591","","","0.173","0.1908","","","","","","1.08","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032882","21.3351","0.0017","25.306","0.002","13.0491","0.001","90","","116.512","0.001","90","","6304.4","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 B Br2 F2 N3 O8 -","- C60 H60 B Br2 F2 N3 O8 -","- C240 H240 B4 Br8 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.078","0.0478","","","0.1271","0.1366","","","","","","1.076","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032883","12.386","0.002","14.229","0.003","16.434","0.003","104.736","0.002","98.092","0.003","97.797","0.003","2728.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 B F2 N3 O8 -","- C60 H58 B F2 N3 O8 -","- C120 H116 B2 F4 N6 O16 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1179","0.0743","","","0.2325","0.2555","","","","","","0.986","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032884","11.7012","0.0015","11.9793","0.0015","20.493","0.003","90.244","0.002","90.127","0.002","116.904","0.002","2561.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 B F2 N3 O2 -","- C54 H48 B F2 N3 O2 -","- C108 H96 B2 F4 N6 O4 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1421","0.078","","","0.2205","0.2435","","","","","","1.083","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032885","21.2312","0.0006","7.2323","0.0002","22.3298","0.0007","90","","90","","90","","3428.75","0.17","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Stivanin, Mateus L.; Duarte, Marcelo; Sartori, Camila; Capreti, Naylil M. R.; Angolini, Celio F. F.; Jurberg, Igor D.","An Aminocatalyzed Michael Addition/Iron-Mediated Decarboxylative Cyclization Sequence for the Preparation of 2,3,4,6-Tetrasubstituted Pyridines: Scope and Mechanistic Insights.","The Journal of organic chemistry","2017","82","19","10319","10330","10.1021/acs.joc.7b01789","","","1.54178","CuKα","","0.0558","0.0474","","","0.1315","0.139","","","","","","1.03","","","","has coordinates","202705","2020-10-21","18:00:00",""
"4032886","11.812","0.006","6.112","0.003","14.148","0.008","90","","105.405","0.006","90","","984.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O5 S -","- C19 H24 N2 O5 S -","- C38 H48 N4 O10 S2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.0486","0.0396","","","0.095","0.1017","","","","","","1.033","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032887","6.734","0.007","18.45","0.019","12.022","0.012","90","","98.661","0.015","90","","1477","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 S Si -","- C29 H37 N O5 S Si -","- C58 H74 N2 O10 S2 Si2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.1014","0.0524","","","0.0906","0.1109","","","","","","1.025","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032888","10.969","0.006","14.515","0.006","15.54","0.007","90","","109.929","0.008","90","","2326","1.9","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Santhini, P. V.; Krishnan R, Akhil; Babu, Sheba Ann; Simethy, Betna Shamlin; Das, Gourab; Praveen, Vakayil K.; Varughese, Sunil; John, Jubi","One-Pot MCR-Oxidation Approach toward Indole-Fused Heteroacenes.","The Journal of organic chemistry","2017","82","19","10537","10548","10.1021/acs.joc.7b02039","","","0.71073","MoKα","","0.1157","0.0604","","","0.1638","0.1943","","","","","","0.869","","","","has coordinates","202676","2020-10-21","18:00:00",""
"4032889","7.40246","0.00019","7.5881","0.0002","21.4216","0.0005","90","","90","","90","","1203.26","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N S2 -","- C12 H10 Cl N S2 -","- C48 H40 Cl4 N4 S8 -","4","1","","Belot, Vincent; Farran, Daniel; Jean, Marion; Albalat, Muriel; Vanthuyne, Nicolas; Roussel, Christian","Steric Scale of Common Substituents from Rotational Barriers of N-(o-Substituted aryl)thiazoline-2-thione Atropisomers.","The Journal of organic chemistry","2017","82","19","10188","10200","10.1021/acs.joc.7b01698","","x-ray","1.54184","CuKα","","0.0237","0.0234","","","0.0644","0.0647","","","","","","1.078","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032890","20.188","0.002","9.8499","0.0008","10.9975","0.001","90","","102.392","0.003","90","","2135.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C96 H88 N8 O12 S4 -","4","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0623","0.0448","","","0.1133","0.1218","","","","","","1.055","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032891","9.235","0.0004","10.6767","0.0004","44.894","0.002","90","","92.065","0.001","90","","4423.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C192 H192 N16 O24 S8 -","8","2","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.1022","0.0625","","","0.1201","0.1397","","","","","","1.156","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032892","32.959","0.004","8.5274","0.0008","18.548","0.002","90","","109.063","0.004","90","","4927.1","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 I N2 O4 S -","- C26 H21 I N2 O4 S -","- C208 H168 I8 N16 O32 S8 -","8","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0622","0.037","","","0.0855","0.0942","","","","","","1.097","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032893","7.0936","0.0003","9.3673","0.0004","10.8449","0.0004","103.189","0.0014","97.273","0.0016","90.9588","0.0016","695.19","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ye617","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C32 H30 N2 O4 S2 -","2","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0788","0.0732","","","0.2082","0.2182","","","","","","1.096","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032894","12.274","0.0004","11.8466","0.0004","7.7264","0.0002","90","","105.465","0.0013","90","","1082.78","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JBK-477","","","- C12 H9 N O2 S -","- C12 H9 N O2 S -","- C48 H36 N4 O8 S4 -","4","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0762","0.069","","","0.1822","0.1914","","","","","","1.04","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032895","5.5974","0.0004","19.0054","0.001","17.2544","0.001","90","","90","","90","","1835.54","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0703","0.0514","","","0.1076","0.1192","","","","","","1.037","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032896","11.0525","0.0008","11.1109","0.0008","11.4881","0.0008","115.323","0.007","99.995","0.006","110.986","0.007","1097.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C52 H46 N2 O8 -","2","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","x-ray","0.71073","MoKα","","0.0717","0.0452","","","0.0998","0.1154","","","","","","1.042","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032897","11.6822","0.0007","11.7363","0.0011","17.1486","0.0012","87.187","0.006","89.117","0.005","81.697","0.006","2323.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O5 -","- C26 H23 N O5 -","- C104 H92 N4 O20 -","4","2","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.1146","0.0581","","","0.1342","0.1803","","","","","","1.038","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032898","35.153","0.002","35.153","0.002","8.9968","0.0005","90","","90","","120","","9628.2","0.9","200","2","200","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C342 H342 N18 O72 -","18","","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0758","0.0533","","","0.1405","0.1538","","","","","","1.047","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032899","5.608","0.002","8.703","0.003","20.091","0.007","90","","90","","90","","980.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Meng, Fei; Zhang, Honglin; Guo, Kang; Dong, Jiayue; Lu, Ai-Min; Zhu, Yingguang","Access to Cyano-Containing Isoxazolines via Copper-Catalyzed Domino Cyclization/Cyanation of Alkenyl Oximes.","The Journal of organic chemistry","2017","82","19","10742","10747","10.1021/acs.joc.7b02133","","","0.71073","MoKα","","0.0893","0.0481","","","0.099","0.1129","","","","","","1.043","","","","has coordinates","202693","2020-10-21","18:00:00",""
"4032900","9.018","0.002","12.803","0.003","13.586","0.003","92.859","0.004","106.099","0.003","90.084","0.004","1505","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 B N O5 -","- C35 H42 B N O5 -","- C70 H84 B2 N2 O10 -","2","1","","Iwamoto, Hiroaki; Ozawa, Yu; Kubota, Koji; Ito, Hajime","Copper(I)-Catalyzed Regio- and Stereoselective Intramolecular Alkylboration of Propargyl Ethers and Amines.","The Journal of organic chemistry","2017","82","19","10563","10573","10.1021/acs.joc.7b02071","","","0.71075","MoKα","","0.1278","0.0529","","","0.1085","0.1629","","","","","","1.078","","","","has coordinates","202709","2020-10-21","18:00:00",""
"4032901","8.8147","0.0015","8.1358","0.0014","20.421","0.004","90","","91.788","0.007","90","","1463.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0915","0.074","","","0.2208","0.2397","","","","","","1.085","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032902","7.1934","0.0007","7.9479","0.0007","9.7888","0.0009","80.149","0.002","78.645","0.002","89.534","0.002","540.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O4 S -","- C10 H11 N O4 S -","- C20 H22 N2 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0287","0.0273","","","0.0665","0.0674","","","","","","1.043","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032903","10.958","0.003","7.579","0.002","18.911","0.005","90","","106.133","0.005","90","","1508.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C64 H60 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.1205","0.0964","","","0.2638","0.2805","","","","","","1.1","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032904","5.676","0.002","9.256","0.004","27.339","0.012","90","","90.107","0.01","90","","1436.3","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl O3 S -","- C15 H13 Cl O3 S -","- C60 H52 Cl4 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.133","0.0676","","","0.1411","0.164","","","","","","1.08","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032905","11.1208","0.0009","11.5061","0.001","11.8471","0.001","90","","102.556","0.002","90","","1479.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0535","0.0426","","","0.1079","0.1143","","","","","","1.052","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032906","6.7402","0.0002","11.5964","0.0002","24.9844","0.0006","90","","90","","90","","1952.83","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O3 -","- C19 H25 F3 N2 O3 -","- C76 H100 F12 N8 O12 -","4","1","","Li, Yifei; Jackson, Kelvin E.; Charlton, Andrew; Le Neve-Foster, Ben; Khurshid, Asma; Rudy, Heinrich-K A; Thompson, Amber L.; Paton, Robert S.; Hodgson, David M.","Asymmetric Induction in C-Alkylation of Tropane-Derived Enamines: Congruence Between Computation and Experiment.","The Journal of organic chemistry","2017","82","19","10479","10488","10.1021/acs.joc.7b01954","","","1.5418","CuKα","","0.0488","0.0465","","0.1275","0.1244","0.1275","","","","","","0.9953","","","","has coordinates,has disorder","202691","2020-10-21","18:00:00",""
"4032907","22.5153","0.0009","8.3136","0.0003","32.1163","0.0013","90","","101.002","0.0018","90","","5901.2","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H38 F20 N8 O4 -","- C64 H38 F20 N8 O4 -","- C256 H152 F80 N32 O16 -","4","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54187","CuKα","","0.1314","0.0736","","","0.1722","0.2176","","","","","","1.005","","","","has coordinates","202674","2020-10-21","18:00:00",""
"4032908","15.9571","0.0009","18.4976","0.0011","21.6413","0.0011","80.425","0.005","84.18","0.004","83.638","0.005","6237.6","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H94 F40 N10 O9 -","- C134 H94 F40 N10 O9 -","- C268 H188 F80 N20 O18 -","2","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54184","CuKα","","0.2358","0.1109","","","0.2628","0.3419","","","","","","1.066","","","","has coordinates,has disorder","202674","2020-10-21","18:00:00",""
"4032909","13.431","0.002","8.9297","0.0015","21.363","0.004","90","","106.011","0.002","90","","2462.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.0868","0.0549","","","0.1545","0.1791","","","","","","0.988","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032910","8.481","0.002","8.527","0.002","13.607","0.003","102.268","0.003","99.165","0.004","107.023","0.004","893.2","0.4","324","2","324","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.1013","0.0557","","","0.1651","0.2035","","","","","","0.92","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032911","11.3053","0.0002","13.6069","0.0003","16.3832","0.0004","105.526","0.002","92.8266","0.0019","109.973","0.002","2254.48","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 Fe O6 -","- C26 H22 Fe O6 -","- C104 H88 Fe4 O24 -","4","2","","Brown, Thomas J.; Cumbes, Madeleine; Diorazio, Louis J.; Clarkson, Guy J.; Wills, Martin","Use of (Cyclopentadienone)iron Tricarbonyl Complexes for C-N Bond Formation Reactions between Amines and Alcohols.","The Journal of organic chemistry","2017","82","19","10489","10503","10.1021/acs.joc.7b01990","","x-ray","1.54184","CuKα","","0.0381","0.0359","","","0.0973","0.0994","","","","","","1.032","","","","has coordinates","202681","2020-10-21","18:00:00",""
"4032912","36.553","0.005","10.5914","0.0015","15.847","0.002","90","","90","","90","","6135.1","1.4","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C256 H240 N48 O64 -","16","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0404","0.0395","","","0.1059","0.1064","","","","","","1.068","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032913","28.443","0.009","5.5707","0.0014","15.837","0.008","90","","121.19","0.02","90","","2146.6","1.5","88","2","88","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C112 H72 N24 O8 -","8","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0597","0.0407","","","0.101","0.1119","","","","","","1.036","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032914","19.7261","0.0006","14.1348","0.0004","20.9034","0.0007","90","","112.341","0.0012","90","","5390.9","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Cl4 N12 O6 -","- C58 H40 Cl4 N12 O6 -","- C232 H160 Cl16 N48 O24 -","4","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","1.54178","CuKα","","0.0712","0.0667","","","0.1876","0.1934","","","","","","1.039","","","","has coordinates,has disorder","202727","2020-10-21","18:00:00",""
"4032915","11.227","0.0005","11.7648","0.0005","19.8563","0.0009","103.634","0.004","90.221","0.004","110.067","0.004","2383.7","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H60 Cl3 N3 Pd -","- C50 H60 Cl3 N3 Pd -","- C100 H120 Cl6 N6 Pd2 -","2","1","","Lu, Dong-Dong; He, Xu-Xian; Liu, Feng-Shou","Bulky Yet Flexible Pd-PEPPSI-IPent(An) for the Synthesis of Sterically Hindered Biaryls in Air.","The Journal of organic chemistry","2017","82","20","10898","10911","10.1021/acs.joc.7b01711","","x-ray","0.71073","MoKα","","0.0495","0.0383","","","0.0779","0.0835","","","","","","1.026","","","","has coordinates","202730","2020-10-21","18:00:00",""
"4032916","10.935","0.003","15.723","0.004","12.065","0.003","90","","109.012","0.003","90","","1961.2","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C76 H116 N4 O12 S4 -","4","2","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1237","0.0555","","","0.1045","0.1382","","","","","","1.038","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032917","8.696","0.014","9.78","0.015","20.51","0.03","90","","90","","90","","1744","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C64 H100 N4 O12 S4 -","4","1","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1142","0.0507","","","0.0919","0.1109","","","","","","0.923","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032918","10.136","0.01","6.549","0.007","17.967","0.018","90","","92.66","0.06","90","","1191","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","amcterbutilo","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","","Molina, Alba; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric 1,3-Dipolar Cycloaddition/Hydroamination Sequence: Expeditious Access to Enantioenriched Pyrroloisoquinoline Derivatives.","The Journal of organic chemistry","2017","82","20","11238","11246","10.1021/acs.joc.7b01927","","","0.71073","MoKα","","0.1633","0.0697","","","0.1536","0.1957","","","","","","1.006","","","","has coordinates","202722","2020-10-21","18:00:00",""
"4032919","23.815","0.014","5.267","0.003","16.247","0.009","90","","100.81","0.008","90","","2002","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 O S -","- C14 H8 O S -","- C112 H64 O8 S8 -","8","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0455","0.044","","","0.105","0.1065","","","","","","1.114","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032920","11.939","0.005","5.977","0.003","19.793","0.009","90","","101.211","0.006","90","","1385.5","1.1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0506","0.0459","","","0.0949","0.097","","","","","","1.136","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032921","11.504","0.008","3.842","0.002","13.114","0.01","90","","112.364","0.014","90","","536","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H7 Cl O S -","- C14 H7 Cl O S -","- C28 H14 Cl2 O2 S2 -","2","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0607","0.0518","","","0.0866","0.0891","","","","","","1.156","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032922","6.657","0.003","8.177","0.004","12.851","0.005","94.123","0.007","92.155","0.004","108.359","0.008","660.9","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","1","0.5","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0496","0.0451","","","0.1","0.1034","","","","","","1.104","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032923","7.7884","0.0007","11.6933","0.0011","12.7018","0.0011","76.661","0.002","80.261","0.002","87.702","0.002","1109.35","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 O3 S -","- C28 H26 O3 S -","- C56 H52 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0403","0.0344","","","0.0858","0.0895","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032924","7.7512","0.0006","11.678","0.0009","13.0912","0.001","74.837","0.002","79.922","0.002","86.822","0.002","1126.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F O3 S -","- C28 H25 F O3 S -","- C56 H50 F2 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0363","0.0318","","","0.081","0.0841","","","","","","1.048","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032925","11.4491","0.0005","17.7989","0.0006","26.917","0.0011","90","","90","","90","","5485.2","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H30 O3 S -","- C34 H30 O3 S -","- C272 H240 O24 S8 -","8","2","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.1093","0.0637","","","0.151","0.1854","","","","","","1.032","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032926","7.629","0.0004","11.9937","0.0007","13.0614","0.0006","74.603","0.002","83.167","0.002","87.823","0.002","1144.01","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 O3 S -","- C29 H28 O3 S -","- C58 H56 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0348","0.0325","","","0.09","0.0922","","","","","","1.056","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032927","8.365","0.0003","14.5526","0.0005","15.0103","0.0004","90","","90","","90","","1827.24","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C88 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0327","0.0309","","","0.073","0.0742","","","","","","1.037","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032928","8.1348","0.0005","13.0188","0.0007","15.4944","0.0009","110.348","0.003","95.56","0.003","107.969","0.003","1424.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C60 H60 O8 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.062","0.0522","","","0.1615","0.1752","","","","","","1.077","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032929","9.3547","0.0004","15.8152","0.0007","16.7422","0.0008","90","","93.334","0.002","90","","2472.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C120 H120 O16 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0606","0.0455","","","0.1067","0.1156","","","","","","1.039","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032930","8.1394","0.0006","9.4166","0.0007","19.4343","0.0015","95.957","0.002","97.141","0.002","109.052","0.002","1380.39","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 O5 S2 -","- C31 H34 O5 S2 -","- C62 H68 O10 S4 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0417","0.0345","","","0.0848","0.0893","","","","","","1.04","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032931","12.4191","0.0008","13.6805","0.001","15.3386","0.0011","90","","103.4","0.002","90","","2535.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 O3 S -","- C29 H27 O3 S -","- C116 H108 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0479","0.038","","","0.097","0.1032","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032932","14.0786","0.0004","13.1662","0.0004","12.1197","0.0004","90","","102.656","0.003","90","","2191.94","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O8.5 -","- C24 H23 O8.5 -","- C96 H92 O34 -","4","1","","Lin, Yu-Feng; Fong, Chi; Peng, Wan-Ling; Tang, Kuei-Chien; Liang, Yi-En; Li, Wen-Tai","Synthesis of 3-(2-Olefinbenzyl)-4H-chromen-4-one through Cyclobenzylation and Catalytic C-H Bond Functionalization Using Palladium(II).","The Journal of organic chemistry","2017","82","20","10855","10865","10.1021/acs.joc.7b01626","","","1.54178","CuKα","","0.0746","0.0584","","","0.1652","0.1831","","","","","","1.031","","","","has coordinates,has disorder","202719","2020-10-21","18:00:00",""
"4032933","7.787","0.0009","9.1541","0.001","21.398","0.002","90","","90","","90","","1525.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Sandridge, Matthew J.; McLarney, Brett D.; Williams, Corey W.; France, Stefan","α-Alkylidene-γ-butyrolactone Formation via Bi(OTf)3-Catalyzed, Dehydrative, Ring-Opening Cyclizations of Cyclopropyl Carbinols: Understanding Substituent Effects and Predicting E/Z Selectivity.","The Journal of organic chemistry","2017","82","20","10883","10897","10.1021/acs.joc.7b01706","","","0.71073","MoKα","","0.0386","0.0366","","","0.0912","0.0935","","","","","","1.059","","","","has coordinates","202718","2020-10-21","18:00:00",""
"4032934","13.865","0.004","10.825","0.002","9.0227","0.0014","90","","90.53","0.02","90","","1354.1","0.5","287.51","0.1","287.51","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Guo, Xin; Han, Jianwei; Liu, Yafeng; Qin, Mingda; Zhang, Xueguo; Chen, Baohua","Synthesis of 2,3-Disubstituted NH Indoles via Rhodium(III)-Catalyzed C-H Activation of Arylnitrones and Coupling with Diazo Compounds.","The Journal of organic chemistry","2017","82","21","11505","11511","10.1021/acs.joc.7b02105","","x-ray","0.71","MoKα","","0.0502","0.0409","","","0.1013","0.1071","","","","","","1.073","","","","has coordinates","202749","2020-10-21","18:00:00",""
"4032935","10.7119","0.0007","12.3681","0.0007","15.6167","0.001","88.64","0.004","76.819","0.004","85.895","0.004","2009.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O3 S -","- C22 H22.5 N O3 S -","- C88 H90 N4 O12 S4 -","4","2","","Zhang, Jian; Wu, Mingchang; Lu, Wei; Wang, Shuaifeng; Zhang, Yan; Cheng, Cungui; Zhu, Gangguo","Preparation of 2-Amino-5-homoallylfurans via Palladium-Catalyzed Tandem Cycloisomerization/Heck-Type Coupling of Homoallenyl Amides with Allyltrialkylsilanes.","The Journal of organic chemistry","2017","82","20","11134","11140","10.1021/acs.joc.7b02131","","","0.71073","MoKα","","0.1621","0.1264","","","0.2489","0.2606","","","","","","1.63","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032936","9.947","0.007","12.46","0.009","17.683","0.012","90","","94.163","0.012","90","","2186","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Luo, Qianfu; Cao, Fei; Xiong, Chaochao; Dou, Qingyu; Qu, Da-Hui","Hybrid cis/trans Tetra-arylethenes with Switchable Aggregation-Induced Emission (AIE) and Reversible Photochromism in the Solution, PMMA Film, Solid Powder, and Single Crystal.","The Journal of organic chemistry","2017","82","20","10960","10967","10.1021/acs.joc.7b01877","","","0.71073","MoKα","","0.0802","0.0474","","","0.1365","0.1577","","","","","","1.053","","","","has coordinates","202714","2020-10-21","18:00:00",""
"4032937","5.7562","0.0007","11.7478","0.0014","27.37","0.003","90","","90","","90","","1850.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl F N2 O4 -","- C19 H18 Cl F N2 O4 -","- C76 H72 Cl4 F4 N8 O16 -","4","1","","Liu, Yang-Zi; Shang, Shao-Jing; Yang, Wu-Lin; Luo, Xiaoyan; Deng, Wei-Ping","Stereoselective Synthesis of Pyrrolidines Containing a 3-Fluoro Quaternary Stereocenter via Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition.","The Journal of organic chemistry","2017","82","20","11141","11149","10.1021/acs.joc.7b02142","","","0.71073","MoKα","","0.0623","0.0566","","","0.1335","0.1367","","","","","","1.177","","","","has coordinates","202733","2020-10-21","18:00:00",""
"4032938","10.373","0.005","8.148","0.004","11.635","0.006","90","","104.787","0.011","90","","950.8","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1331","0.068","","","0.1302","0.159","","","","","","0.974","","","","has coordinates","202734","2020-10-21","18:00:00",""
"4032939","11.883","0.007","12.219","0.008","14.081","0.008","80.601","0.014","72.761","0.013","62.091","0.013","1724.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17.5 H20.5 Cl1.5 N2 O3 -","- C17.5 H20.5 Cl1.5 N2 O3 -","- C70 H82 Cl6 N8 O12 -","4","2","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1577","0.0863","","","0.2226","0.2507","","","","","","1.311","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032940","13.2066","0.0004","13.9646","0.0004","10.3491","0.0003","90","","114.308","0.0011","90","","1739.42","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O3 S -","- C18 H26 N2 O3 S -","- C72 H104 N8 O12 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0629","","","","0.2437","","","","","","1.01","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032941","9.8135","0.0005","14.7645","0.0008","16.0748","0.0009","90","","99.5803","0.0016","90","","2296.6","0.2","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0479","","","","0.1419","","","","","","1.007","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032942","10.5322","0.0005","17.1636","0.0008","12.8157","0.0007","90","","90.7235","0.0017","90","","2316.5","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0413","","","","0.1388","","","","","","1.001","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032943","13.986","0.005","4.9867","0.0017","18.623","0.008","90","","111.799","0.005","90","","1206","0.8","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C11 H8 B Cl F2 N2 O2 -","- C11 H8 B Cl F2 N2 O2 -","- C44 H32 B4 Cl4 F8 N8 O8 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7824","Synchrotron","","0.1208","0.0872","","","0.2246","0.2622","","","","","","1.058","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032944","8.544","0.003","15.711","0.005","10.064","0.003","90","","97.355","0.005","90","","1339.8","0.8","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B F2 N2 O3 S -","- C13 H11 B F2 N2 O3 S -","- C52 H44 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0375","0.036","","","0.1013","0.1021","","","","","","1.076","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032945","8.6359","0.0017","10.684","0.002","23.378","0.005","90","","90.516","0.009","90","","2156.9","0.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 B F2 N2 O3 S -","- C25 H19 B F2 N2 O3 S -","- C100 H76 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0357","0.034","","","0.0913","0.0923","","","","","","1.025","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032946","30.4109","0.0014","4.9043","0.0003","18.0383","0.0009","90","","122.921","0.003","90","","2258.3","0.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 B F2 N2 O2 S -","- C11 H9 B F2 N2 O2 S -","- C88 H72 B8 F16 N16 O16 S8 -","8","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7813","Synchrotron","","0.0865","0.0433","","","0.0853","0.129","","","","","","1.178","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032947","9.624","0.004","11.522","0.005","12.61","0.006","109.022","0.005","112.19","0.005","98.651","0.007","1162.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 B2 F4 N4 O4 S2 -","- C22 H16 B2 F4 N4 O4 S2 -","- C44 H32 B4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2033","0.0555","","","0.1084","0.1761","","","","","","0.712","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032948","8.896","0.003","31.258","0.01","16.54","0.006","90","","95.79","0.005","90","","4576","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H34 B2 Cl2 F4 N4 O5 S2 -","- C47 H38 B2 Cl2 F4 N4 O6 S2 -","- C188 H152 B8 Cl8 F16 N16 O24 S8 -","4","0.5","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2755","0.0983","","","0.2227","0.3156","","","","","","0.891","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032949","12.0568","0.0008","12.3448","0.001","15.0292","0.0008","76.37","0.011","76.907","0.011","80.343","0.016","2101.9","0.3","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H34 B2 Br0 Cl2 F4 N4 O4 S2 -","- C47 H34 B2 Cl2 F4 N4 O4 S2 -","- C94 H68 B4 Cl4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0362","0.0315","","","0.0881","0.09","","","","","","1.073","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032950","10.3699","0.0003","17.3809","0.0005","12.7667","0.0003","90","","96.43","0.002","90","","2286.57","0.11","294","2","294.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl N2 O6 -","- C23 H23 Cl N2 O6 -","- C92 H92 Cl4 N8 O24 -","4","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","x-ray","0.71073","MoKα","","0.0657","0.0533","","","0.1544","0.1643","","","","","","1.091","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032951","9.196","0.003","10.447","0.003","11.724","0.004","91.395","0.001","110.283","0.005","112.925","0.006","956.3","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","","0.71073","MoKα","","0.0355","0.0335","","","0.0919","0.0933","","","","","","0.933","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032952","39.587","0.005","39.587","0.005","9.49","0.003","90","","90","","120","","12880","5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C432 H396 S36 Se72 Si36 -","18","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0697","0.0366","","","0.077","0.0843","","","","","","1","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032953","6.4642","0.0019","20.855","0.006","27.927","0.008","90","","90.498","0.005","90","","3764.7","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Se3 Si2 -","- C14 H20 Se3 Si2 -","- C112 H160 Se24 Si16 -","8","2","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.1338","0.0577","","","0.1149","0.1307","","","","","","0.923","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032954","16.4144","0.0011","10.1288","0.0007","18.9016","0.0013","90","","114.719","0.001","90","","2854.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Se6 Si2 -","- C24 H22 Se6 Si2 -","- C96 H88 Se24 Si8 -","4","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0611","0.0392","","","0.098","0.1035","","","","","","1.176","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032955","8.5868","0.0003","9.9563","0.0005","14.1824","0.0006","87.05","0.004","88.435","0.003","89.106","0.004","1210.31","0.09","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cl2 N O3 S -","- C25 H23 Cl2 N O3 S -","- C50 H46 Cl4 N2 O6 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","1.54184","CuKα","","0.08","0.0711","","","0.2006","0.2114","","","","","","1.059","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032956","8.3061","0.0005","15.8","0.001","16.4284","0.0011","96.424","0.006","101.261","0.006","103.543","0.006","2027.4","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C100 H84 N4 O12 S4 -","4","2","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.1123","0.0855","","","0.2199","0.2492","","","","","","1.057","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032957","8.5361","0.0008","9.5425","0.0009","12.0411","0.0009","81.946","0.007","83.715","0.007","69.347","0.009","906.82","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C40 H36 N4 O10 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.074","0.0513","","","0.1182","0.1401","","","","","","1.052","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032958","12.0438","0.0011","14.5042","0.0014","22.049","0.003","72.623","0.005","76.291","0.005","77.888","0.005","3530.8","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Benzoxymethoxy Pillerene","","","- C81 H82 O10 -","- C81 H82 O10 -","- C162 H164 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2028","0.1038","","","0.2834","0.3483","","","","","","1.001","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032959","12.791","0.004","20.978","0.007","14.779","0.004","90","","98.582","0.007","90","","3921","2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0801","","","","0.232","","","","","","0.967","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032960","43.045","0.01","21.347","0.005","23.043","0.005","90","","104.773","0.007","90","","20474","8","150","2","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C110 H140 O10 -","- C110 H140 O10 -","- C880 H1120 O80 -","8","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2489","0.148","","","0.3802","0.4289","","","","","","1.094","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032961","16.62","0.003","16.686","0.003","16.858","0.003","95.191","0.007","117.822","0.008","114.325","0.008","3528.1","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.4213","0.1323","","","0.2936","0.4465","","","","","","0.888","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032962","12.31","0.03","16.48","0.04","18.98","0.04","83.427","0.016","80.887","0.014","69.254","0.017","3548","14","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C81 H84 O10 -","- C81 H84 O10 -","- C162 H168 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0892","","","","0.3047","","","","","","1.018","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032963","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032964","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C164 H170 O24 -","- C164 H170 O24 -","- C328 H340 O48 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032965","12.2178","0.001","15.0675","0.0014","20.9593","0.0017","78.186","0.006","85.869","0.006","67.284","0.005","3483.6","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H86 Cl2 O10 -","- C82 H86 Cl2 O10 -","- C164 H172 Cl4 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.1051","","","","0.3493","","","","","","1.293","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032966","14.89","0.008","18.123","0.008","21.671","0.01","81.371","0.006","82.134","0.009","87.707","0.013","5726","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","OctoxyBenzoxyPillerene_3","","","- C119 H158 Cl9 O10 -","- C119 H158 Cl9 O10 -","- C238 H316 Cl18 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.1761","0.111","","","0.3038","0.3479","","","","","","1.042","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032967","15.204","0.005","11.261","0.004","11.977","0.004","90","","99.928","0.008","90","","2019.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Zhao, Yulei; Yuan, Yang; Wang, Xiaoyu; Li, Yanzhong","Synthesis of Polycyclic Benzo[b]indolo[3,2,1-de]acridines via Sequential Allenylation, Diels-Alder Cyclization, and Hydrogen Migration Reaction.","The Journal of organic chemistry","2017","82","20","11198","11205","10.1021/acs.joc.7b01614","","","0.71073","MoKα","","0.0593","0.0444","","","0.1108","0.1193","","","","","","1.032","","","","has coordinates","202726","2020-10-21","18:00:00",""
"4032968","9.15","0.003","13.424","0.004","15.319","0.004","90","","104.868","0.006","90","","1818.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N O -","- C23 H20 F N O -","- C92 H80 F4 N4 O4 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0632","0.0494","","","0.1443","0.1626","","","","","","1.029","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032969","8.439","0.002","22.732","0.006","12.15","0.003","90","","115.339","0.013","90","","2106.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N0 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.1194","0.0794","","","0.2165","0.2501","","","","","","1.038","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032970","8.136","0.011","22.01","0.03","11.172","0.014","90","","106.04","0.02","90","","1923","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C88 H72 Br4 N4 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.093","0.0456","","","0.1079","0.1302","","","","","","0.997","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032971","6.7473","0.0014","11.771","0.003","12.597","0.003","62.242","0.005","77.949","0.006","84.286","0.006","865.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O3 -","- C21 H14 Br N O3 -","- C42 H28 Br2 N2 O6 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0766","0.0477","","","0.1414","0.1943","","","","","","1.019","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032972","8.8342","0.0015","10.3235","0.0018","11.2424","0.0019","90.781","0.004","107.441","0.004","101.41","0.004","955.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Br N O -","- C25 H18 Br N O -","- C50 H36 Br2 N2 O2 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0577","0.0435","","","0.129","0.1723","","","","","","1.013","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032973","6.3872","0.0005","13.6568","0.0009","18.5349","0.0012","90","","90","","90","","1616.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C64 H104 O8 Si4 -","4","1","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0821","0.0462","","","0.0819","0.0916","","","","","","0.982","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032974","6.923","0.0012","9.2252","0.0016","13.527","0.002","85.237","0.007","84.232","0.007","76.806","0.007","835.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C32 H52 O4 Si2 -","2","2","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0593","0.0472","","","0.1167","0.1254","","","","","","0.998","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032975","16.5149","0.0011","14.6947","0.001","9.2256","0.0006","90","","97.975","0.002","90","","2217.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O4 Si -","- C24 H32 O4 Si -","- C96 H128 O16 Si4 -","4","1","","Basak, Shyam; Mal, Dipakranjan","Applications of [4+2] Anionic Annulation and Carbonyl-Ene Reaction in the Synthesis of Anthraquinones, Tetrahydroanthraquinones, and Pyranonaphthoquinones.","The Journal of organic chemistry","2017","82","20","11035","11051","10.1021/acs.joc.7b01987","","","0.71073","MoKα","","0.0757","0.0597","","","0.1648","0.1822","","","","","","1.086","","","","has coordinates","202731","2020-10-21","18:00:00",""
"4032976","11.5351","0.0005","16.0352","0.0007","11.5477","0.0005","90","","116.978","0.003","90","","1903.52","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F2 N2 O5 S -","- C16 H22 F2 N2 O5 S -","- C64 H88 F8 N8 O20 S4 -","4","1","","Soley, Jacob; Chiu, Edmond; Chung, Ryan; Green, Jeremy; Hein, Jason E.; Taylor, Scott D.","Synthesis of β-Ketosulfonamides Derived from Amino Acids and Their Conversion to β-Keto-α,α-difluorosulfonamides via Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","20","11157","11165","10.1021/acs.joc.7b02179","","","0.71073","MoKα","","0.1869","0.0605","","","0.0771","0.094","","","","","","0.992","","","","has coordinates","202729","2020-10-21","18:00:00",""
"4032977","17.635","0.004","13.489","0.003","18.963","0.004","90","0.03","115.43","0.03","90","0.03","4073.8","1.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 F5 N S -","- C24 H18 F5 N S -","- C192 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1152","0.0554","","","0.132","0.1758","","","","","","1.042","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032978","26.646","0.002","8.0632","0.0007","22.2653","0.0018","90","","113.291","0.002","90","","4393.9","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F5 N S -","- C26 H20 F5 N S -","- C208 H160 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.101","0.049","","","0.1218","0.1622","","","","","","1.051","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032979","25.9225","0.0019","8.1786","0.0006","22.3161","0.0017","90","","112.605","0.001","90","","4367.8","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F5 N S -","- C26 H18 F5 N S -","- C208 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.0806","0.0474","","","0.1074","0.1254","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032980","53.283","0.019","10.846","0.004","9.606","0.004","90","","91.686","0.005","90","","5549","4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H22 F5 N S -","- C34 H22 F5 N S -","- C272 H176 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1922","0.0816","","","0.1684","0.2232","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032981","51.849","0.009","10.9446","0.0018","9.8186","0.0015","90","","91.817","0.012","90","","5568.9","1.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 F5 N S -","- C34 H26 F5 N S -","- C272 H208 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1762","0.1","","","0.263","0.3137","","","","","","1.041","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032982","9.7623","0.0016","12.653","0.002","13.845","0.002","69.164","0.002","78.669","0.002","84.175","0.002","1566.2","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 F5 N S2 -","- C32 H20 F5 N S2 -","- C64 H40 F10 N2 S4 -","2","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1114","0.0532","","","0.1177","0.1437","","","","","","1.009","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032983","17.456","0.002","9.1464","0.0009","7.771","0.0011","90","","97.656","0.012","90","","1229.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","","0.71073","MoKα","","0.0906","0.0533","","","0.1098","0.1284","","","","","","1.038","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032984","9.919","0.0009","10.0507","0.0009","16.6196","0.0018","90","","97.173","0.008","90","","1643.9","0.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","x-ray","0.71073","MoKα","","0.0861","0.0512","","","0.1088","0.1278","","","","","","1.044","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032985","11.1863","0.0005","11.1863","0.0005","6.106","0.0003","90","","90","","120","","661.7","0.05","100","","100","","","","","","","","","3","P 32","P 32","145","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C30 H36 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.028","0.0276","","","0.0698","0.07","","","","","","1.031","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032986","7.7296","0.0003","7.7296","0.0003","18.3472","0.0009","90","","90","","120","","949.32","0.07","290","","290","","","","","","","","","4","P 32","P 32","145","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C42 H57 N3 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.0309","0.0307","","","0.08","0.0801","","","","","","0.986","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032987","9.3182","0.0004","9.6671","0.0005","13.948","0.0007","71.774","0.003","71.026","0.003","61.633","0.003","1026.41","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O3 S -","- C23 H27 N O3 S -","- C46 H54 N2 O6 S2 -","2","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0439","0.0392","","","0.1048","0.1105","","","","","","0.887","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032988","11.726","0.006","25.881","0.012","6.436","0.003","90","","90","","90","","1953.2","1.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0681","0.0467","","","0.1125","0.1282","","","","","","0.873","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032989","10.3792","0.0008","21.1918","0.0016","10.5653","0.0008","90","","116.235","0.002","90","","2084.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N O3 S -","- C22 H24 Cl N O3 S -","- C88 H96 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0591","0.0437","","","0.1109","0.1194","","","","","","1.037","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032990","8.1794","0.0007","33.379","0.003","7.782","0.0007","90","","104.036","0.004","90","","2061.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0666","0.0481","","","0.1215","0.1325","","","","","","1.01","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032991","13.4105","0.0008","8.0327","0.0004","18.4137","0.0011","90","","102.93","0.002","90","","1933.28","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0818","0.0568","","","0.1171","0.1294","","","","","","1.035","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032992","13.0445","0.0006","7.8561","0.0004","20.2474","0.0012","90","","107.757","0.002","90","","1976.08","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N O3 S -","- C22 H22 Cl N O3 S -","- C88 H88 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0387","0.0341","","","0.0921","0.0966","","","","","","1.048","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032993","10.413","0.0007","10.5191","0.0007","12.1153","0.0006","96.996","0.005","115.161","0.006","109.448","0.006","1077.34","0.15","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C54 H44 N4 O6 -","2","1","","Zhang, Bing; Wang, Tao; Zhang, Zunting","Gold-Catalyzed Synthesis of 1-(Furan-3-yl)-1,2-diones.","The Journal of organic chemistry","2017","82","21","11644","11654","10.1021/acs.joc.7b01997","","","1.54178","CuKα","","0.0474","0.0412","","","0.1159","0.122","","","","","","1.059","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032994","20.693","0.003","36.935","0.001","23.506","0.002","90","","107.018","0.003","90","","17179","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C163 H245.65 N16 O19.5 -","- C163 H245.65 N16 O19.5 -","- C652 H982.6 N64 O78 -","4","1","","Teixeira, Filipa A.; Marcos, Paula M.; Ascenso, José R; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Selective Binding of Spherical and Linear Anions by Tetraphenyl(thio)urea-Based Dihomooxacalix[4]arene Receptors.","The Journal of organic chemistry","2017","82","21","11383","11390","10.1021/acs.joc.7b01801","","","0.85","","","0.1481","0.1389","","","0.3624","0.3705","","","","","","1.062","","","","has coordinates,has disorder","202744","2020-10-21","18:00:00",""
"4032995","8.0101","0.0002","19.8721","0.0005","7.4121","0.0002","90","","111.141","0.001","90","","1100.43","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Cl3 N2 O -","- C10 H5 Cl3 N2 O -","- C40 H20 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0529","0.0383","","","0.0928","0.1091","","","","","","1.074","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032996","7.4103","0.0003","8.3251","0.0003","9.0266","0.0003","86.17","0.002","83.778","0.002","80.605","0.003","545.47","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C18 H8 Cl6 N6 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0689","0.0498","","","0.0991","0.115","","","","","","1.012","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032997","41.9318","0.0018","10.6612","0.0005","9.9175","0.0004","90","","90","","90","","4433.6","0.3","173","","173","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C144 H64 Cl48 N48 O16 -","16","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0555","0.0412","","","0.0865","0.0989","","","","","","1.01","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032998","7.42034","0.00013","21.1494","0.0004","7.77399","0.00015","90","","90.237","0.0012","90","","1220.01","0.04","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Cl3 N2 O -","- C11 H7 Cl3 N2 O -","- C44 H28 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0427","0.0346","","","0.0863","0.1","","","","","","1.056","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032999","8.1387","0.0003","9.4496","0.0003","20.2855","0.0008","90","","101.92","0.002","90","","1526.47","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Cl3 N2 O -","- C16 H9 Cl3 N2 O -","- C64 H36 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1377","0.0737","","","0.1379","0.1931","","","","","","1.073","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033000","6.79356","0.00016","8.7199","0.0002","11.4031","0.0003","83.3108","0.0015","77.0843","0.0015","85.4068","0.0014","652.92","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 O -","- C12 H9 Cl3 N2 O -","- C24 H18 Cl6 N4 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1638","0.0836","","","0.1459","0.209","","","","","","1.352","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033001","11.8833","0.0002","13.2072","0.0002","14.4036","0.0003","65.5529","0.001","74.6958","0.0009","85.3427","0.0011","1983.91","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl3 N2 O -","- C22 H13 Cl3 N2 O -","- C88 H52 Cl12 N8 O4 -","4","2","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","","0.0694","","","","0.2375","","","","","","1.845","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033002","10.261","0.005","10.261","0.005","18.417","0.005","90","0.005","90","0.005","90","0.005","1939.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rk","","","- C25 H18 N2 S -","- C25 H18 N2 S -","- C100 H72 N8 S4 -","4","1","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0887","0.0529","","","0.1265","0.152","","","","","","0.915","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033003","19.569","0.005","7.808","0.005","24.645","0.005","90","0.005","95.082","0.005","90","0.005","3751","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C184 H168 N24 O16 -","8","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.1331","0.0816","","","0.2041","0.2416","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033004","9.405","0.015","9.59","0.02","9.93","0.013","76.25","0.16","85.06","0.12","86.46","0.16","866","3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0845","0.0514","","","0.0545","0.1773","","","","","","0.983","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033005","14.2174","0.0005","5.7053","0.0002","31.5369","0.0011","90","","90","","90","","2558.1","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","","Chen, Yu-Feng; Chen, Jing; Lin, Li-Jen; Chuang, Gary Jing","Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzene.","The Journal of organic chemistry","2017","82","21","11626","11630","10.1021/acs.joc.7b01887","","","0.71073","MoKα","","0.0383","0.0267","","","0.067","0.0952","","","","","","1.176","","","","has coordinates","202762","2020-10-21","18:00:00",""
"4033006","11.9896","0.0014","8.0336","0.0009","14.0539","0.0016","90","","98.25","0.002","90","","1339.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 N O4 -","- C15 H11 F2 N O4 -","- C60 H44 F8 N4 O16 -","4","1","","Li, Jiaheng; Xu, Cong; Wei, Na; Wang, Mang","Synthesis of 2,2-Difluorinated 4-Isoflavanols/4-Thioisoflavanols via a Base-Catalyzed [4 + 2] Annulation Reaction of gem-Difluoroolefins.","The Journal of organic chemistry","2017","82","21","11348","11357","10.1021/acs.joc.7b01635","","","0.71073","MoKα","","0.055","0.044","","","0.1129","0.1207","","","","","","1.037","","","","has coordinates","202746","2020-10-21","18:00:00",""
"4033007","15.5352","0.0011","7.2602","0.0005","23.4507","0.0017","90","","90","","90","","2645","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 O -","- C14 H10 Br N3 O -","- C112 H80 Br8 N24 O8 -","8","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0855","0.0447","","","0.0953","0.1077","","","","","","1.045","","","","has coordinates","202750","2020-10-21","18:00:00",""
"4033008","6.8573","0.0006","11.8742","0.001","19.7672","0.0019","90","","90","","90","","1609.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0657","0.0415","","","0.0867","0.0995","","","","","","1.043","","","","has coordinates,has disorder","202750","2020-10-21","18:00:00",""
"4033009","12.141","0.006","16.578","0.008","15.645","0.008","90","","111.516","0.007","90","","2929","3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Chen, Ke; Liu, Shuai; Wang, Dan; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Silver/Scandium-Cocatalyzed Bicyclization of β-Alkynyl Ketones Leading to Benzo[c]xanthenes and Naphtho[1,2-b]benzofurans.","The Journal of organic chemistry","2017","82","21","11524","11530","10.1021/acs.joc.7b02134","","","0.71073","MoKα","","0.1523","0.0505","","","0.0684","0.0786","","","","","","0.941","","","","has coordinates","202752","2020-10-21","18:00:00",""
"4033010","5.5783","0.0006","25.05","0.003","25.622","0.003","90","","90","","90","","3580.3","0.7","99","2","99","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N3 O10 -","- C40 H31 N3 O10 -","- C160 H124 N12 O40 -","4","1","","Neralkar, Mahesh; Mishra, Bijoyananda; Hotha, Srinivas","Nucleofuge Generating Glycosidations by the Remote Activation of Hydroxybenzotriazolyl Glycosides.","The Journal of organic chemistry","2017","82","21","11494","11504","10.1021/acs.joc.7b02027","","","0.71073","MoKα","","0.1757","0.0782","","","0.1851","0.2318","","","","","","1.122","","","","has coordinates","202742","2020-10-21","18:00:00",""
"4033011","18.6401","0.0012","14.9843","0.001","12.6094","0.0009","90","","112.356","0.003","90","","3257.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N2 S -","- C17 H17 Br N2 S -","- C136 H136 Br8 N16 S8 -","8","1","","Pathak, Ambika; Justin Thomas, K. R.; Singh, Meenu; Jou, Jwo-Huei","Fine-Tuning of Photophysical and Electroluminescence Properties of Benzothiadiazole-Based Emitters by Methyl Substitution.","The Journal of organic chemistry","2017","82","21","11512","11523","10.1021/acs.joc.7b02127","","","0.71073","MoKα","","0.1207","0.0434","","","0.1067","0.1435","","","","","","0.987","","","","has coordinates","202747","2020-10-21","18:00:00",""
"4033012","7.341","","10.055","","21.981","","90","","90","","90","","1622.5","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O9 -","- C17 H18 O9 -","- C68 H72 O36 -","4","1","","Padiyar, Laxmansingh T.; Zulueta, Medel Manuel L.; Sabbavarapu, Narayana Murthy; Hung, Shang-Cheng","Yb(OTf)3-Catalyzed Desymmetrization of myo-Inositol 1,3,5-Orthoformate and Its Application in the Synthesis of Chiral Inositol Phosphates.","The Journal of organic chemistry","2017","82","21","11418","11430","10.1021/acs.joc.7b01919","","","0.71073","MoKα","","0.0458","0.0362","","","0.0714","0.0766","","","","","","1.04","","","","has coordinates","202754","2020-10-21","18:00:00",""
"4033013","11.5153","0.0008","14.7212","0.001","17.6408","0.0012","90","","102.172","0.001","90","","2923.2","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N3 O5 -","- C34 H35 N3 O5 -","- C136 H140 N12 O20 -","4","1","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54178","CuKα","","0.0345","0.0302","","","0.0783","0.0801","","","","","","1.07","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033014","11.4675","0.0003","17.311","0.0004","23.6038","0.0006","82.207","0.0018","89.031","0.002","82.4628","0.0019","4602.3","0.2","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 Br N3 O5 -","- C34 H34 Br N3 O5 -","- C204 H204 Br6 N18 O30 -","6","6","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54184","CuKα","","0.0688","0.0654","","","0.1671","0.1719","","","","","","1.026","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033015","14.0424","0.0008","17.427","0.0008","20.7378","0.0009","90","","90","","90","","5074.9","0.4","293","0.2","293","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C264 H200 O16 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.0975","0.057","","","0.1211","0.1499","","","","","","1.058","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033016","18.1366","0.001","13.9563","0.0006","19.6941","0.0009","90","","90","","90","","4985","0.4","288.78","0.1","288.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C264 H200 O24 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.1169","0.0634","","","0.1245","0.1585","","","","","","1.046","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033017","6.823","0.0004","26.0046","0.0016","7.2754","0.0005","90","","107.175","0.0013","90","","1233.31","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PP0661","","","- C11 H13 Br Cl N S -","- C11 H13 Br Cl N S -","- C44 H52 Br4 Cl4 N4 S4 -","4","2","","Parker, Patrick D.; Lemercier, Bérénice C.; Pierce, Joshua G.","Synthesis of Quaternary-Substituted Thiazolines via Halocyclization of S-Allyl Thioimidate Salts","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02299","","","0.71073","MoKα","","0.0714","0.0588","","","0.1433","0.1509","","","","","","1.016","","","","has coordinates","202281","2020-10-21","18:00:00",""
"4033018","13.409","0.003","22.975","0.005","14.825","0.003","90","","90.869","0.003","90","","4566.6","1.7","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H10 Cl2 F6 Li N O4 S2 -","- C75.9963 H9.9926 Cl1.9926 F6 Li N O4 S2 -","- C303.985 H39.9704 Cl7.9704 F24 Li4 N4 O16 S8 -","4","1","","Ueno, Hiroshi; Okada, Hiroshi; Aoyagi, Shinobu; Matsuo, Yutaka","Synthesis and Crystal Structure of Li(+)@Fluoreno[60]fullerene: Effect of Encapsulated Lithium Ion on Electrochemistry of Spiroannelated Fullerene.","The Journal of organic chemistry","2017","82","21","11631","11635","10.1021/acs.joc.7b01893","","","0.71075","MoKα","","0.0601","0.0482","","","0.1374","0.1506","","","","","","1.069","","","","has coordinates,has disorder","202753","2020-10-21","18:00:00",""
"4033019","26.35","0.005","12.971","0.003","26.783","0.005","90","","117.97","0.03","90","","8085","4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C21 H28 Br N O -","- C21 H28 Br N O -","- C336 H448 Br16 N16 O16 -","16","4","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.149","0.1055","","","0.1851","0.2035","","","","","","1.207","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4033020","7.6298","0.0015","8.2139","0.0016","13.786","0.003","85.2","0.03","78.12","0.03","89.03","0.03","842.5","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O -","- C20 H18 Cl N O -","- C40 H36 Cl2 N2 O2 -","2","1","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.0552","0.0519","","","0.1474","0.1505","","","","","","1.105","","","","has coordinates","202757","2020-10-21","18:00:00",""
"4033021","14.3407","0.0004","12.2598","0.0004","25.881","0.0008","90","","90","","90","","4550.2","0.2","103.4","","103.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C200 H248 N8 O40 -","8","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0438","0.0389","","","0.0957","0.0995","","","","","","1.038","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033022","10.838","0.0002","10.16461","0.00019","19.4057","0.0004","90","","105.682","0.002","90","","2058.23","0.07","102.8","","102.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0426","0.0393","","","0.0982","0.1009","","","","","","1.054","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033023","5.71","0.002","9.405","0.003","20.359","0.007","88.572","0.006","88.944","0.006","76.822","0.006","1064.1","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl O2 P -","- C27 H22 Cl O2 P -","- C54 H44 Cl2 O4 P2 -","2","1","","Shan, Changkai; Chen, Fushan; Pan, Jiaoting; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Zn(OTf)2-Catalyzed Phosphinylation of Propargylic Alcohols: Access to γ-Ketophosphine Oxides.","The Journal of organic chemistry","2017","82","21","11659","11666","10.1021/acs.joc.7b02164","","","0.71073","MoKα","","0.0676","0.0554","","","0.1344","0.1426","","","","","","1.081","","","","has coordinates","202748","2020-10-21","18:00:00",""
"4033024","14.49","0.003","11.438","0.003","20.816","0.004","90","","90","","90","","3450","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Zhao, Xiaoyuan; Zhang, Yong; Deng, Jun; Zhang-Negrerie, Daisy; Du, Yunfei","TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization, Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of Pyrrolin-4-ones and Highly Substituted Pyrroles.","The Journal of organic chemistry","2017","82","23","12682","12690","10.1021/acs.joc.7b02491","","","0.71073","MoKα","","0.0686","0.0541","","","0.1291","0.1381","","","","","","1.062","","","","has coordinates","204862","2020-10-21","18:00:00",""
"4033025","18.3954","0.0006","10.8878","0.0004","19.5641","0.0007","90","","94.55","0.003","90","","3906.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F3 N O4.5 P -","- C17 H24 F3 N O4.5 P -","- C136 H192 F24 N8 O36 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.0635","0.056","","","0.1429","0.15","","","","","","1.036","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033026","10.2112","0.0002","17.8559","0.0005","21.0675","0.0004","90","","90","","90","","3841.24","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 F3 N O4 P -","- C17 H23 F3 N O4 P -","- C136 H184 F24 N8 O32 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.041","0.0394","","","0.1051","0.1071","","","","","","1.006","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033027","13.433","0.001","8.4143","0.0006","20.157","0.0014","90","","90.985","0.007","90","","2278","0.3","293","2","293","2","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","","Unknown","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0708","0.0483","","","0.1185","0.1335","","","","","","1.094","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033028","12.2788","0.0005","13.5044","0.0005","15.3335","0.0004","105.77","0.003","110.274","0.003","90.739","0.003","2279.07","0.15","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O4 S -","- C29 H25 N O4 S -","- C116 H100 N4 O16 S4 -","4","2","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0806","0.0542","","","0.148","0.1576","","","","","","0.97","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033029","5.0386","0.0003","24.2827","0.0013","12.1901","0.0006","90","","94.863","0.004","90","","1486.1","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Lepitre, Thomas; Denhez, Clement; Moncol, Jan; Othman, Mohamed; Lawson, Ata Martin; Daïch, Adam","Structure-Based Kinetic Control in a Domino Process: A Powerful Tool Toward Molecular Diversity in Chromone Series.","The Journal of organic chemistry","2017","82","23","12188","12201","10.1021/acs.joc.7b01996","","","1.54186","CuKα","","0.0532","0.0456","","","0.1187","0.1224","","","","","","1.035","","","","has coordinates,has disorder","204857","2020-10-21","18:00:00",""
"4033030","4.9377","0.0008","11.3507","0.0019","18.673","0.003","72.387","0.003","88.787","0.003","85.279","0.004","994.1","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","","","- C23 H17 I N2 O3 -","- C23 H17 I N2 O3 -","- C46 H34 I2 N4 O6 -","2","2","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0982","0.0407","","","0.0456","0.0569","","","","","","0.922","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033031","5.0548","0.0007","8.0834","0.001","37.866","0.005","90","","90","","90","","1547.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 I N2 O3 -","- C17 H13 I N2 O3 -","- C68 H52 I4 N8 O12 -","4","1","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0392","0.0363","","","0.0828","0.0841","","","","","","1.121","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033032","31.771","0.002","7.3683","0.0006","16.5063","0.0011","90","","100.174","0.006","90","","3803.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O -","- C26 H23 N O -","- C208 H184 N8 O8 -","8","1","","Wojcik, Laurianne; Michaud, François; Gauthier, Sébastien; Cabon, Nolwenn; Le Poul, Pascal; Gloaguen, Frederic; Le Poul, Nicolas","Reversible Redox Switching of Chromophoric Phenylmethylenepyrans by Carbon-Carbon Bond Making/Breaking.","The Journal of organic chemistry","2017","82","23","12395","12405","10.1021/acs.joc.7b02199","","x-ray","0.71073","MoKα","","0.0938","0.0551","","","0.1075","0.1257","","","","","","1.058","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4033033","10.2518","0.0003","11.019","0.0003","11.4871","0.0003","84.87","0.001","86.994","0.001","86.549","0.001","1288.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-(benzylamino)furo[2,3-c]pyridazin-6-yl)ethan-1-ol","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","","Ganley, Jacob M.; Waller, David L.","Synthesis of Furo[2,3-c]pyridazines via Tandem Transition-Metal Catalysis.","The Journal of organic chemistry","2017","82","23","12740","12745","10.1021/acs.joc.7b01819","","","1.54178","CuKα","","0.0414","0.0367","","","0.0886","0.092","","","","","","1.04","","","","has coordinates","204836","2020-10-21","18:00:00",""
"4033034","7.59159","0.00019","20.3087","0.0003","21.5684","0.0004","90","","90","","90","","3325.32","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 N2 O5 -","- C35 H46 N2 O5 -","- C140 H184 N8 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.5418","CuKα","","0.0657","0.0631","","0.1824","0.1771","0.1822","","","","","","0.9538","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033035","7.10434","0.00019","10.684","0.0003","11.6324","0.0004","82.814","0.003","75.572","0.002","76.583","0.002","829.62","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","1","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.54184","CuKα","","0.037","0.0356","","0.0959","0.094","0.0956","","","","","","0.9992","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033036","7.2555","0.0004","6.3055","0.0004","19.0027","0.001","90","","96.908","0.005","90","","863.05","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Zhi, Wubin; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie","Palladium-Catalyzed Diastereoselective Synthesis of 3-Arylbutanoic Acid Derivatives.","The Journal of organic chemistry","2017","82","23","12286","12293","10.1021/acs.joc.7b02104","","x-ray","1.54184","CuKα","","0.0382","0.035","","","0.0904","0.0942","","","","","","1.029","","","","has coordinates","204845","2020-10-21","18:00:00",""
"4033037","16.35","0.003","5.9252","0.0012","17.079","0.003","90","","115.06","0.03","90","","1498.8","0.6","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 B N -","- C15 H26 B N -","- C60 H104 B4 N4 -","4","1","","Mateo, Pierre; Cinqualbre, Joséphine E; Meyer Mojzes, Melinda; Schenk, Kurt; Renaud, Philippe","Reductive Alkylation of Tertiary Lactams via Addition of Organocopper (RCu) Reagents to Thioiminium Ions.","The Journal of organic chemistry","2017","82","23","12318","12327","10.1021/acs.joc.7b02150","","x-ray","0.71073","MoKα","","0.1305","0.0705","","","0.1799","0.2107","","","","","","1.027","","","","has coordinates","204848","2020-10-21","18:00:00",""
"4033038","5.7278","0.0006","17.5633","0.0019","21.791","0.002","90","","90","","90","","2192.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C92 H124 O8 P4 -","4","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.1436","0.0522","","","0.1184","0.1655","","","","","","0.669","","","","has coordinates","204849","2020-10-21","18:00:00",""
"4033039","12.4777","0.0011","5.797","0.0007","15.419","0.0019","90","","100.727","0.001","90","","1095.8","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C46 H62 O4 P2 -","2","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.0877","0.0658","","","0.1567","0.1697","","","","","","0.89","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4033040","5.5617","0.0002","9.7074","0.0004","10.4167","0.0003","88.569","0.002","85.582","0.002","77.614","0.002","547.65","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0441","0.0401","","","0.1005","0.1031","","","","","","1.091","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033041","9.5142","0.0002","9.6019","0.0003","10.1754","0.0002","63.556","0.001","71.826","0.002","68.914","0.001","763.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 Cl N2 O6 -","- C12 H23 Cl N2 O6 -","- C24 H46 Cl2 N4 O12 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","0.71073","MoKα","","0.0324","0.0314","","","0.0783","0.0792","","","","","","1.035","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033042","10.2719","0.0003","10.6899","0.0003","16.9891","0.0005","90","","90","","90","","1865.5","0.09","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C48 H112 Cl8 N8 O32 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0329","0.0324","","","0.0793","0.0799","","","","","","1.103","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033043","9.0352","0.0003","10.3936","0.0003","19.7212","0.0006","90","","100.661","0.003","90","","1820.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","Bai, Peirong; Sun, Suyan; Li, Zexian; Qiao, Huijie; Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Ru/Cu Photoredox or Cu/Ag Catalyzed C4-H Sulfonylation of 1-Naphthylamides at Room Temperature.","The Journal of organic chemistry","2017","82","23","12119","12127","10.1021/acs.joc.7b01917","","x-ray","1.54184","CuKα","","0.0491","0.0413","","","0.1047","0.1127","","","","","","1.051","","","","has coordinates","204866","2020-10-21","18:00:00",""
"4033044","18.263","0.003","18.263","0.003","61.044","0.009","90","","90","","90","","20360","6","173.15","","173.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C65 H41 N5 -","- C65 H41 N5 -","- C1040 H656 N80 -","16","","","Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator.","The Journal of organic chemistry","2017","82","23","12106","12111","10.1021/acs.joc.7b01864","","","0.71073","MoKα","","0.1372","0.1042","","","0.2564","0.2727","","","","","","1.449","","","","has coordinates","204835","2020-10-21","18:00:00",""
"4033045","12.3456","0.0009","8.7625","0.0005","19.7466","0.0014","90","","101.307","0.003","90","","2094.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C17 H12 N O3 -","- C102 H72 N6 O18 -","6","3","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.1142","0.0548","","","0.1262","0.1493","","","","","","1.028","","","","has coordinates","202602","2020-10-21","18:00:00",""
"4033046","9.0459","0.0006","15.6351","0.0012","24.8362","0.0014","90","","90","","90","","3512.7","0.4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H14 Br N O6 -","- C18 H14 Br N O6 -","- C144 H112 Br8 N8 O48 -","8","1","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.0752","0.0376","","","0.0671","0.076","","","","","","0.974","","","","has coordinates","202603","2020-10-21","18:00:00",""
"4033047","8.3051","0.0004","10.1444","0.0005","12.8453","0.0005","90","","91.577","0.003","90","","1081.81","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","1","0.25","","Zhao, Qinglan; Xiang, Haoyue; Xiao, Jun-An; Xia, Peng-Ju; Wang, Jun-Jie; Chen, Xiaoqing; Yang, Hua","Selectfluor-Triggered Tandem Cyclization of o-Hydroxyarylenaminones To Access Difluorinated 2-Amino-Substituted Chromanones.","The Journal of organic chemistry","2017","82","18","9837","9843","10.1021/acs.joc.7b01339","","","0.71073","MoKα","","0.0479","0.0363","","","0.0953","0.104","","","","","","1.041","","","","has coordinates","202604","2020-10-21","18:00:00",""
"4033048","4.2219","0.0002","16.5496","0.0008","20.8964","0.0009","90","","91.288","0.004","90","","1459.68","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","","- C17 H12 Br Cl O3 -","- C17 H12 Br Cl O3 -","- C68 H48 Br4 Cl4 O12 -","4","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0699","0.0443","","","0.0921","0.1047","","","","","","1.023","","","","has coordinates","202605","2020-10-21","18:00:00",""
"4033049","8.7526","0.0004","9.017","0.0004","19.8984","0.0007","90.101","0.002","90.003","0.002","102.3","0.002","1534.37","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br Cl O4 -","- C15 H14 Br Cl O4 -","- C60 H56 Br4 Cl4 O16 -","4","2","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.1185","0.0433","","","0.0819","0.1004","","","","","","0.973","","","","has coordinates","202606","2020-10-21","18:00:00",""
"4033050","7.704","0.005","9.207","0.005","16.462","0.005","92.799","0.005","102.322","0.005","90.028","0.005","1139.3","1","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C50 H56 O16 -","2","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0696","0.0452","","","0.1133","0.1292","","","","","","1.035","","","","has coordinates","202607","2020-10-21","18:00:00",""
"4033051","8.366","0.003","10.586","0.004","18.446","0.006","90","","90","","90","","1633.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2447","0.0667","","","0.1175","0.1674","","","","","","0.809","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033052","12.846","0.002","7.3513","0.0009","13.544","0.002","90","","116.45","0.02","90","","1145.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C48 H64 Cl4 N4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1542","0.0743","","","0.1912","0.2366","","","","","","0.879","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033053","9.5079","0.0003","9.5079","0.0003","32.2672","0.0019","90","","90","","120","","2526.16","0.19","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C120 H120 F6 N6 O6 -","6","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2139","0.0553","","","0.0842","0.1142","","","","","","0.811","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033054","6.143","0.003","9.618","0.003","55.166","0.013","90","","90","","90","","3259","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C160 H160 F8 N8 O8 -","8","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1855","0.0755","","","0.1376","0.1854","","","","","","0.796","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033055","13.9502","0.0016","7.9101","0.0009","11.5513","0.0015","90","","104.996","0.004","90","","1231.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F2 O4 -","- C13 H12 F2 O4 -","- C52 H48 F8 O16 -","4","1","","Sha, Wanxing; Zhang, Wenzhong; Ni, Shengyang; Mei, Haibo; Han, Jianlin; Pan, Yi","Photoredox-Catalyzed Cascade Difluoroalkylation and Intramolecular Cyclization for Construction of Fluorinated γ-Butyrolactones.","The Journal of organic chemistry","2017","82","18","9824","9831","10.1021/acs.joc.7b01279","","","0.71073","MoKα","","0.0448","0.0376","","","0.0948","0.0994","","","","","","1.034","","","","has coordinates","202609","2020-10-21","18:00:00",""
"4033056","8.8364","0.0004","9.5204","0.0004","13.5931","0.0005","81.065","0.002","87.232","0.002","78.031","0.002","1104.95","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N2 O5 -","- C27 H18 N2 O5 -","- C54 H36 N4 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","Iodine-Catalyzed Regioselective Synthesis of Multisubstiuted Pyrrole Polyheterocycles Free from Rotamers and Keto-Enol Tautomers.","The Journal of organic chemistry","2017","82","18","9360","9366","10.1021/acs.joc.7b01538","","","0.71073","MoKα","","0.0673","0.0427","","","0.1104","0.1256","","","","","","0.977","","","","has coordinates","202610","2020-10-21","18:00:00",""
"4033057","6.269","0.0003","27.3913","0.0011","7.1608","0.0004","90","","113.19","0.006","90","","1130.28","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0647","0.0491","","","0.1119","0.1245","","","","","","0.995","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033058","6.1751","0.0006","13.4968","0.0011","13.5761","0.0007","90","","90.834","0.007","90","","1131.37","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0937","0.0611","","","0.1511","0.1695","","","","","","1.115","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033059","6.7453","0.0005","11.8927","0.001","14.4914","0.0013","90","","101.28","0.009","90","","1140.04","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.099","0.0642","","","0.1514","0.1774","","","","","","0.895","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033060","6.1762","0.0004","15.9914","0.0007","7.1677","0.0004","90","","114.107","0.007","90","","646.18","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0591","0.0483","","","0.1314","0.1418","","","","","","0.894","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033061","8.2539","0.0006","9.3035","0.0006","15.4181","0.001","94.023","0.003","94.343","0.003","95.709","0.003","1171.1","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","KSH-2733","","","- C26 H23 Br N2 O2 S -","- C26 H23 Br N2 O2 S -","- C52 H46 Br2 N4 O4 S2 -","2","1","","Kim, Sanghyuck; Kim, Hyunseok; Um, Kyusik; Lee, Phil Ho","Synthesis of Azepinoindoles via Rhodium-Catalyzed Formal Aza-[4 + 3] Cycloaddition Reaction of 3-Diazoindolin-2-imines with 1,3-Dienes in One-Pot.","The Journal of organic chemistry","2017","82","18","9808","9815","10.1021/acs.joc.7b01150","","","0.71073","","","0.1653","0.1524","","","0.3515","0.3597","","","","","","0.861","","","","has coordinates","202612","2020-10-21","18:00:00",""
"4033062","7.937","0.003","9.671","0.004","11.189","0.004","82.485","0.009","77.888","0.008","74.91","0.017","808.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Mehl, Lea-Marina; Maier, Martin E.","A Radical-Based Synthesis of Lingzhiol.","The Journal of organic chemistry","2017","82","18","9844","9850","10.1021/acs.joc.7b01416","","","0.71073","MoKα","","0.0434","0.0385","","","0.1026","0.1068","","","","","","1.041","","","","has coordinates","202613","2020-10-21","18:00:00",""
"4033063","8.8975","0.0006","9.7369","0.0005","10.996","0.0009","96.23","0.006","112.79","0.007","112.251","0.006","775.65","0.12","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Cheng, Guolin; Xue, Lulu; Weng, Yunxiang; Cui, Xiuling","Transition-Metal-Free Cascade Approach toward 2-Alkoxy/2-Sulfenylpyridines and Dihydrofuro[2,3-b]pyridines by Trapping In Situ Generated 1,4-Oxazepine.","The Journal of organic chemistry","2017","82","18","9515","9524","10.1021/acs.joc.7b01541","","","1.54184","CuKα","","0.0485","0.0409","","","0.11","0.1164","","","","","","1.05","","","","has coordinates","202614","2020-10-21","18:00:00",""
"4033064","14.4488","0.0013","7.0914","0.0006","12.1819","0.0011","90","","96.893","0.001","90","","1239.16","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0456","0.0365","","","0.089","0.0951","","","","","","1.039","","","","has coordinates","202615","2020-10-21","18:00:00",""
"4033065","8.1826","0.0003","11.3714","0.0006","12.6284","0.0007","73.609","0.005","85.465","0.004","89.729","0.004","1123.57","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Z)-ethyl 3-((methoxycarbonyl)amino)-4-methyl-2-(3-(4-nitrophenyl)- 5-oxoisoxazol-4(5H)-ylidene)-2,3-dihydrothiazole-5-carboxylate compound with methanol (1:1)","","- C19 H20 N4 O9 S -","- C19 H20 N4 O9 S -","- C38 H40 N8 O18 S2 -","2","1","","Santeusanio, Stefania; Majer, Roberta; Perrulli, Francesca Romana; De Crescentini, Lucia; Favi, Gianfranco; Giorgi, Gianluca; Mantellini, Fabio","Divergent Approach to Thiazolylidene Derivatives: A Perspective on the Synthesis of a Heterocyclic Skeleton from β-Amidothioamides Reactivity.","The Journal of organic chemistry","2017","82","18","9773","9778","10.1021/acs.joc.7b02135","","","0.71073","MoKα","","0.0708","0.043","","","0.1074","0.1146","","","","","","0.957","","","","has coordinates,has disorder","202616","2020-10-21","18:00:00",""
"4033066","5.575","0.006","10.617","0.012","10.854","0.012","88.562","0.019","89.239","0.019","77.545","0.018","627.1","1.2","298","1","298","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0921","0.0718","","","0.2009","0.2288","","","","","","0.961","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033067","5.631","0.001","7.857","0.002","41.046","0.008","90","","90","","90","","1816","0.7","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O -","- C24 H26 O -","- C96 H104 O4 -","4","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0718","0.0654","","","0.1488","0.1528","","","","","","1.167","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033068","23.131","0.004","8.671","0.002","13.663","0.002","90","","104.576","0.003","90","","2652.2","0.9","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O -","- C17 H20 O -","- C136 H160 O8 -","8","2","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.079","0.0679","","","0.1404","0.1459","","","","","","1.168","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033069","11.742","0.002","5.365","0.002","29.118","0.006","90","","93.44","0.03","90","","1831","0.8","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Di(4'-methoxyphenyl)anilinium chloride","","- C20 H22 Cl N O3 -","- C20 H22 Cl N O3 -","- C80 H88 Cl4 N4 O12 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.0616","0.0518","","","0.1283","0.1325","","","","","","1.212","","","","has coordinates","202618","2020-10-21","18:00:00",""
"4033070","7.4384","0.0008","11.371","0.0008","22.6158","0.0019","90","","90","","90","","1912.9","0.3","208","2","208","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Di(4'-methoxyphenyl)anilinium perchlorate","","- C20 H20 Cl N O6 -","- C20 H20 Cl N O6 -","- C80 H80 Cl4 N4 O24 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.044","0.0374","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","202619","2020-10-21","18:00:00",""
"4033071","9.8054","0.0019","10.1259","0.0019","10.558","0.002","89.345","0.003","88.968","0.004","70.63","0.003","988.8","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C42 H46 N6 O8 -","2","1","","Cheng, Bin; Wei, Jian; Zu, Bing; Zhao, Jianfei; Wang, Taimin; Duan, Xiaoguang; Wang, Renqi; Li, Yun; Zhai, Hongbin","A Chemoselective N-Arylation Reaction of 2-Aminopyridine Derivatives with Arynes.","The Journal of organic chemistry","2017","82","18","9410","9417","10.1021/acs.joc.7b01405","","","0.71073","MoKα","","0.126","0.0638","","","0.1621","0.1957","","","","","","1.046","","","","has coordinates,has disorder","202620","2020-10-21","18:00:00",""
"4033072","27.4647","0.0017","9.7877","0.0006","17.8406","0.0011","90","","98.419","0.003","90","","4744.2","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H35 O5.5 -","- C25 H35 O5.5 -","- C200 H280 O44 -","8","2","","Jiménez, Fermín; Fernández, Antonio; Boulifa, Ettahir; Mansour, Ahmed Ibn; Alvarez-Manzaneda, Ramón; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Diastereoselective Intramolecular Heck Reaction Assisted by an Acetate Group: Synthesis of the Decahydrobenzofluorene Derivative Dasyscyphin E.","The Journal of organic chemistry","2017","82","18","9550","9559","10.1021/acs.joc.7b01551","","","0.71069","MoKα","","0.0373","0.0322","","","0.0721","0.0751","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033073","9.4863","0.0002","11.1115","0.0003","38.056","0.0011","90","","90","","90","","4011.37","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N3 O6 S -","- C45 H45 N3 O6 S -","- C180 H180 N12 O24 S4 -","4","1","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","","1.54184","CuKα","","0.0639","0.0575","","","0.1524","0.1596","","","","","","1.055","","","","has coordinates","202622","2020-10-21","18:00:00",""
"4033074","8.6788","0.0006","9.5182","0.0006","21.2735","0.0015","79.873","0.006","88.99","0.006","70.685","0.006","1631","0.2","129.95","0.1","129.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N3 O6 S -","- C36 H37 N3 O6 S -","- C72 H74 N6 O12 S2 -","2","2","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","x-ray","1.54184","CuKα","","0.083","0.0641","","","0.1667","0.204","","","","","","1.012","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4033075","8.512","0.002","12.733","0.004","16.119","0.004","85.958","0.006","81.538","0.006","76.058","0.006","1676","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl N2 O2 S -","- C19 H15 Cl N2 O2 S -","- C76 H60 Cl4 N8 O8 S4 -","4","2","","Rassokhina, Irina V.; Tikhonova, Tatyana A.; Kobylskoy, Sergey G.; Babkin, Igor Yu; Shirinian, Valerii Z.; Gevorgyan, Vladimir; Zavarzin, Igor V.; Volkova, Yulia A.","Synthesis of Imidazo[2,1-b]thiazoles via Copper-Catalyzed A(3)-Coupling in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","18","9682","9692","10.1021/acs.joc.7b01762","","","0.71073","MoKα","","0.089","0.0496","","","0.1075","0.1276","","","","","","0.941","","","","has coordinates","202624","2020-10-21","18:00:00",""
"4033076","6.7758","0.0008","9.5853","0.0011","11.3689","0.0013","69.107","0.011","76.089","0.01","74.028","0.011","654.83","0.14","294","","294","","","","","","","","","4","P -1","-P 1","2","","(E)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0763","0.0496","","","0.1449","0.1678","","","","","","1.044","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033077","4.0791","0.0001","8.7997","0.0002","19.3763","0.0004","90","","92.115","0.002","90","","695.04","0.03","297.4","0.14","297.4","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-Ethyl 3-(4,6-dimethyl-3- oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)but-2-enoate (2b)","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0819","0.0834","","","","","","1.059","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033078","4.98625","0.00015","15.4076","0.0005","14.7032","0.0005","90","","97.361","0.003","90","","1120.28","0.06","130.15","","130.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4,6-Dimethyl-1-(3-oxobut-1-enyl)isoxazolo[3,4-b]pyridin-3(1H)-one","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","","1.54184","CuKα","","0.0416","0.0372","","","0.1005","0.1042","","","","","","1.06","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033079","12.5735","0.0006","6.9794","0.0003","15.562","0.0008","90","","107.943","0.005","90","","1299.23","0.11","294.67","0.1","294.67","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0903","0.0527","","","0.1346","0.157","","","","","","1.058","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033080","3.83581","0.00005","9.67555","0.0001","31.0045","0.0004","90","","90.1572","0.0011","90","","1150.68","0.02","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(3-Oxobut-1-enyl)isoxazolo[3,4-b]quinolin-3(1H)-one","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0415","0.0388","","","0.0999","0.1027","","","","","","1.041","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033081","8.2258","0.0004","11.9963","0.0006","14.8642","0.0008","79.378","0.004","77.597","0.004","76.203","0.004","1377.45","0.13","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)-4,6-dimethylpyridin-2-ylamino)methylene)succinate","","- C25 H32 N2 O9 -","- C25 H32 N2 O9 -","- C50 H64 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0973","0.0641","","","0.1604","0.1825","","","","","","1.035","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033082","8.8727","0.0006","11.1374","0.0007","15.4529","0.0009","100.611","0.005","95.091","0.005","112.613","0.006","1363.95","0.17","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)quinolin-2-ylamino)methylene)succinate","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C54 H60 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0659","0.0453","","","0.1138","0.128","","","","","","1.038","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033083","10.9426","0.0006","17.63","0.0011","8.9922","0.0005","90","","112.155","0.005","90","","1606.68","0.17","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-ethoxy-3-oxopropanamido)-4,6-dimethylnicotinate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0787","0.05","","","0.123","0.1396","","","","","","1.033","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033084","11.124","0.002","9.3717","0.0019","19.35","0.004","90","","92.32","0.03","90","","2015.6","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 O P S -","- C26 H19 O P S -","- C104 H76 O4 P4 S4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0482","0.0392","","","0.1062","0.1115","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033085","9.7031","0.0008","10.2466","0.0005","12.6418","0.001","112.471","0.005","90.022","0.007","107.012","0.006","1101.65","0.15","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 O P S -","- C26 H31 O P S -","- C52 H62 O2 P2 S2 -","2","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0303","0.0285","","","0.0793","0.0803","","","","","","1.053","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033086","9.728","0.003","15.946","0.004","13.081","0.003","90","","105.066","0.007","90","","1959.4","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0408","0.0344","","","0.0882","0.0928","","","","","","1.026","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033087","16.654","0.005","16.844","0.004","16.96","0.005","90","","113.798","0.006","90","","4353","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 O2 P S -","- C27 H21 O2 P S -","- C216 H168 O16 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0304","","","0.0811","0.083","","","","","","1.037","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033088","16.615","0.002","16.577","0.002","16.859","0.003","90","","113.608","0.003","90","","4254.8","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O P S -","- C26 H18 Cl O P S -","- C208 H144 Cl8 O8 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0302","0.0271","","","0.0755","0.0766","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033089","12.193","0.002","12.336","0.002","14.229","0.002","90","","99.021","0.005","90","","2113.8","0.6","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 O P -","- C26 H31 O P -","- C104 H124 O4 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0305","","","0.0829","0.0854","","","","","","1.059","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033090","8.8777","0.0002","10.5133","0.0003","10.7419","0.0003","92.713","0.001","109.356","0.001","114.653","0.001","839.32","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Srinivas, Kolluru; Sharma, Rashmi; Ramana, Chepuri V.","Interrupting Base-Mediated Benzofuran Ring Transformation with Michael Acceptors.","The Journal of organic chemistry","2017","82","18","9816","9823","10.1021/acs.joc.7b01267","","","0.71073","MoKα","","0.0491","0.0463","","","0.116","0.118","","","","","","1.049","","","","has coordinates","202627","2020-10-21","18:00:00",""
"4033091","12.2869","0.0011","6.2004","0.0005","15.4191","0.0011","90","","90","","90","","1174.68","0.16","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Bai, Dachang; Jia, Qingqian; Xu, Teng; Zhang, Qiuqiu; Wu, Fen; Ma, Chaorui; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rhodium(III)-Catalyzed C-H Activation of Nitrones and Annulative Coupling with Nitroalkenes.","The Journal of organic chemistry","2017","82","18","9877","9884","10.1021/acs.joc.7b01574","","","0.71073","MoKα","","0.0433","0.0379","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","202628","2020-10-21","18:00:00",""
"4033092","5.58762","0.00007","8.03454","0.00008","25.9706","0.0003","90","","90","","90","","1165.92","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Yu, Yue; Chen, Yang; Huang, Wei; Wu, Wanqing; Jiang, Huanfeng","One-Pot Synthesis of Spirocyclic or Fused Pyrazoles from Cyclic Ketones: Calcium Carbide as the Carbon Source in Ring Expansion.","The Journal of organic chemistry","2017","82","18","9479","9486","10.1021/acs.joc.7b01496","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0741","0.075","","","","","","1.084","","","","has coordinates","202629","2020-10-21","18:00:00",""
"4033093","5.751","0.0002","8.5852","0.0004","41.6195","0.0017","90","","90","","90","","2054.9","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 O P -","- C23 H31 O P -","- C92 H124 O4 P4 -","4","1","","Nie, Shao-Zhen; Zhou, Zhong-Yang; Wang, Ji-Ping; Yan, Hui; Wen, Jing-Hong; Ye, Jing-Jing; Cui, Yun-Yao; Zhao, Chang-Qiu","Nonepimerizing Alkylation of H-P Species to Stereospecifically Generate P-Stereogenic Phosphine Oxides: A Shortcut to Bidentate Tertiary Phosphine Ligands.","The Journal of organic chemistry","2017","82","18","9425","9434","10.1021/acs.joc.7b01413","","","1.54184","CuKα","","0.0466","0.0434","","","0.1019","0.1036","","","","","","1.138","","","","has coordinates","202630","2020-10-21","18:00:00",""
"4033094","10.2211","0.0007","18.2509","0.0011","10.5603","0.0006","90","","107.925","0.002","90","","1874.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1112","0.0522","","","0.0871","0.1165","","","","","","1.004","","","","has coordinates","202631","2020-10-21","18:00:00",""
"4033095","9.9297","0.0006","20.0787","0.0015","8.6718","0.0007","90","","102.943","0.002","90","","1685","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1391","0.0787","","","0.1264","0.1497","","","","","","1.001","","","","has coordinates","202632","2020-10-21","18:00:00",""
"4033096","18.2219","0.0007","8.5559","0.0003","21.5811","0.0008","90","","90.875","0.002","90","","3364.2","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H33 Br N2 O8 S -","- C32 H33 Br N2 O8 S -","- C128 H132 Br4 N8 O32 S4 -","4","1","","Zheng, Yu; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Xiao, Jun-An; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Organocatalytic Asymmetric Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Diethyl 2-Aminomalonate Assisted by In Situ Protection.","The Journal of organic chemistry","2017","82","23","12202","12208","10.1021/acs.joc.7b02064","","","0.71073","MoKα","","0.0623","0.0499","","","0.1305","0.1355","","","","","","1.124","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033097","9.9789","0.0007","7.0934","0.0005","11.0379","0.0007","90","","115.725","0.0012","90","","703.87","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0424","0.0397","","","0.0978","0.0993","","","","","","1.049","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033098","9.9791","0.0006","7.0599","0.0004","10.8562","0.0007","90","","115.146","0.001","90","","692.35","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl N O5 -","- C14 H14 Cl N O5 -","- C28 H28 Cl2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0355","0.0335","","","0.0818","0.0832","","","","","","1.024","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033099","28.295","0.004","4.8587","0.0006","13.2","0.0017","90","","97.994","0.002","90","","1797.1","0.4","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C72 H104 O28 -","4","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.1156","0.0716","","","0.1599","0.1924","","","","","","1.019","","","","has coordinates,has disorder","204840","2020-10-21","18:00:00",""
"4033100","8.8038","0.0014","17.766","0.003","13.229","0.002","90","","105.812","0.005","90","","1990.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.077","0.0515","","","0.0971","0.1111","","","","","","1.06","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033101","9.0717","0.0011","11.0319","0.0012","13.525","0.0018","89.234","0.003","71.16","0.003","75.601","0.003","1237.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C60 H60 N4 O4 -","2","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.0846","0.0557","","","0.1107","0.131","","","","","","1.111","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033102","6.2831","0.0007","12.7652","0.0014","13.3011","0.0014","83.604","0.008","84.3","0.009","89.56","0.009","1054.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O -","- C25 H29 N O -","- C50 H58 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1829","0.0932","","","0.1957","0.2463","","","","","","0.975","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033103","10.3709","0.0013","16.766","0.002","10.7394","0.0013","90","","114.581","0.006","90","","1698.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N S -","- C22 H19 N S -","- C88 H76 N4 S4 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0925","0.0566","","","0.2041","0.2349","","","","","","0.906","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033104","8.4733","0.001","8.8139","0.001","32.111","0.003","90","","92.043","0.011","90","","2396.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C124 H108 N4 O16 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1216","0.0642","","","0.1657","0.2271","","","","","","0.918","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033105","9.1124","0.0009","9.1345","0.001","10.9267","0.0012","113.534","0.007","97.413","0.007","108.934","0.007","752.86","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.089","0.0463","","","0.1006","0.1168","","","","","","0.976","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033106","7.3419","0.0007","15.3072","0.0012","14.5765","0.0014","90","","90.222","0.01","90","","1638.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cl N O2 -","- C40 H40 Cl N O2 -","- C80 H80 Cl2 N2 O4 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0664","0.0448","","","0.101","0.1185","","","","","","1.014","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033107","10.2452","0.0008","10.4468","0.0008","10.9779","0.0009","77.834","0.007","86.634","0.007","71.187","0.007","1087.16","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H31 N -","- C28 H31 N -","- C56 H62 N2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1074","0.064","","","0.1483","0.1841","","","","","","1.039","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033108","13.167","0.003","3.8642","0.0006","25.147","0.004","90","","99.037","0.008","90","","1263.6","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0577","0.0389","","","0.1039","0.1106","","","","","","1.05","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033109","10.9695","0.0003","14.7196","0.0003","15.6452","0.0004","90","","90","","90","","2526.18","0.11","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0425","0.0379","","","0.0964","0.1009","","","","","","1.069","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033110","5.774","","14.657","","12.222","","90","","101.02","","90","","1015.27","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 S -","- C22 H19 N4 O2 S -","- C44 H38 N8 O4 S2 -","2","1","","Zheng, Guangfan; Sun, Jiaqiong; Liu, Yang; Yang, Shengbiao; Li, Yan; Sun, Haizhu; Zhang, Qian","Copper-Catalyzed Azidative Multifunctionalization of Alkynes.","The Journal of organic chemistry","2017","82","23","12813","12820","10.1021/acs.joc.7b02148","","","0.71073","MoKα","","0.0865","0.0509","","","0.1267","0.1517","","","","","","0.859","","","","has coordinates","204828","2020-10-21","18:00:00",""
"4033111","17.066","0.003","12.178","0.002","16.125","0.003","90","","90","","90","","3351.3","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C144 H144 B12 N12 O24 -","12","1.5","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0809","0.0686","","","0.1909","0.2038","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033112","7.6993","0.0011","16.097","0.002","13.712","0.002","90","","94.426","0.008","90","","1694.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B N O -","- C18 H24 B N O -","- C72 H96 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0996","0.0597","","","0.159","0.1841","","","","","","1.039","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033113","7.6038","0.0005","16.0985","0.001","13.4899","0.0009","90","","93.173","0.002","90","","1648.76","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B N2 O -","- C17 H23 B N2 O -","- C68 H92 B4 N8 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1194","0.0776","","","0.1893","0.2094","","","","","","1.04","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033114","13.233","0.006","7.758","0.003","16.663","0.007","90","","105.564","0.011","90","","1647.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B I N O -","- C16 H19 B I N O -","- C64 H76 B4 I4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0448","0.0367","","","0.0901","0.0944","","","","","","1.079","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033115","6.201","0.003","14.303","0.005","15.463","0.007","90","","90","","90","","1371.5","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 B N O2 -","- C16 H14 B N O2 -","- C64 H56 B4 N4 O8 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1119","0.0603","","","0.1448","0.1708","","","","","","0.948","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033116","7.764","0.003","21.061","0.008","8.476","0.003","90","","111.392","0.011","90","","1290.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B N O -","- C16 H14 B N O -","- C64 H56 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0434","0.0399","","","0.1078","0.1112","","","","","","1.043","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033117","8.1911","0.0005","9.4733","0.0006","12.3973","0.0007","111.95","0.002","97.068","0.002","93.448","0.003","879.57","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 B N O2 -","- C22 H18 B N O2 -","- C44 H36 B2 N2 O4 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0639","0.043","","","0.1064","0.1195","","","","","","1.021","","","","has coordinates,has disorder","204834","2020-10-21","18:00:00",""
"4033118","7.5743","0.0003","9.7671","0.0003","11.9956","0.0004","74.985","0.001","82.007","0.001","70.923","0.001","808.61","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 B N O -","- C18 H22 B N O -","- C36 H44 B2 N2 O2 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0564","0.0484","","","0.1331","0.1404","","","","","","1.047","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033119","13.9639","0.0018","9.1183","0.0011","16.431","0.002","90","","90","","90","","2092.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 B N O -","- C12 H12 B N O -","- C96 H96 B8 N8 O8 -","8","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","1.54178","CuKα","","0.0806","0.0655","","","0.1815","0.1941","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033120","23.2457","0.001","9.0807","0.0004","18.6858","0.0009","90","","96.79","0.004","90","","3916.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","2","","Xia, Yu; Wang, Li-Jing; Wang, Jia; Chen, Si; Shen, Yi; Guo, Chun-Huan; Liang, Yong-Min","Palladium-Catalyzed Construction of Tetracyclic Scaffolds via the 1,7-Enyne Carbocyclization/Iodophenol Dearomatization Cascade.","The Journal of organic chemistry","2017","82","23","12386","12394","10.1021/acs.joc.7b02196","","","0.71073","MoKα","","0.1279","0.0678","","","0.1329","0.1689","","","","","","1.044","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033121","7.8728","0.0009","6.9222","0.0008","13.1511","0.0015","90","","96.888","0.002","90","","711.52","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0375","0.0349","","","0.0799","0.0817","","","","","","1.061","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033122","7.7181","0.0004","7.1084","0.0004","26.189","0.0015","90","","98.083","0.001","90","","1422.54","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0421","0.0348","","","0.0829","0.087","","","","","","1.036","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033123","8.8336","0.0001","17.8733","0.0002","9.143","0.0001","90","","111.478","0.001","90","","1343.31","0.03","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","K1250","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0352","0.0335","","","0.0917","0.0932","","","","","","1.068","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033124","4.9539","0.00008","21.3695","0.0003","11.9647","0.0002","90","","98.6035","0.001","90","","1252.36","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-dash","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0353","0.0336","","","0.0905","0.0923","","","","","","1.047","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033125","11.4742","0.001","13.6344","0.0014","14.6597","0.0015","76.458","0.004","72.862","0.004","75.076","0.004","2086.3","0.4","305.3","","305.3","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H44 N6 O5 -","- C39 H44 N6 O5 -","- C78 H88 N12 O10 -","2","1","","Park, Jisook; Jean, Alexandre; Chen, David Y.-K.","Organocatalytic and Late-Stage CH-Functionalization Enabled Asymmetric Synthesis of Communesin F and Putative Communesins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02426","","","0.71073","MoKα","","0.0943","0.0627","","","0.2004","0.217","","","","","","1.098","","","","has coordinates","203019","2020-10-21","18:00:00",""
"4033126","9.4609","0.0005","9.552","0.0004","12.1087","0.0005","90","","89.67","0.004","90","","1094.25","0.09","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O8 S2 -","- C18 H24 N2 O8 S2 -","- C36 H48 N4 O16 S4 -","2","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","x-ray","0.71073","MoKα","","0.0513","0.0438","","","0.1019","0.109","","","","","","1.037","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033127","7.2342","0.0002","7.6993","0.0002","34.2572","0.0007","90","","90","","90","","1908.07","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Cl N2 O6 -","- C21 H15 Cl N2 O6 -","- C84 H60 Cl4 N8 O24 -","4","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","","0.71073","MoKα","","0.0614","0.0457","","","0.091","0.0965","","","","","","1.091","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033128","12.1792","0.0012","12.9193","0.0013","20.73","0.002","78.567","0.002","85.489","0.002","69.326","0.002","2991.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17.33 Br O4 S -","- C22 H17.3333 Br O4 S -","- C132 H104 Br6 O24 S6 -","6","3","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.096","0.051","","","0.1196","0.1389","","","","","","1.024","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033129","9.3081","0.0005","10.4852","0.0005","11.7136","0.0006","73.869","0.002","81.276","0.002","68.067","0.002","1017.25","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","2","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0442","0.0434","","","0.1219","0.1229","","","","","","1.025","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033130","13.5515","0.001","7.0685","0.0006","20.9049","0.0016","90","","103.256","0.004","90","","1949.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0412","0.0344","","","0.0824","0.0862","","","","","","1.044","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033131","17.0858","0.0017","7.1245","0.0008","16.5916","0.0017","90","","96.18","0.002","90","","2007.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O5 S -","- C23 H24 O5 S -","- C92 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0443","0.0354","","","0.0867","0.0922","","","","","","1.034","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033132","8.2965","0.0006","10.5328","0.0008","10.7598","0.0008","97.171","0.002","100.4","0.002","104.731","0.002","879.88","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 O5 S -","- C21 H16 O5 S -","- C42 H32 O10 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.04","0.0341","","","0.0798","0.0831","","","","","","1.054","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033133","11.495","0.002","17.271","0.004","12.383","0.003","90","","101.31","0.03","90","","2410.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O7 -","- C25 H27 N O7 -","- C100 H108 N4 O28 -","4","1","","Huang, Zhusheng; Bao, Yishu; Zhang, Yu; Yang, Fulai; Lu, Tao; Zhou, Qingfa","Hydroxy-Assisted Regio- and Stereoselective Synthesis of Functionalized 4-Methylenepyrrolidine Derivatives via Phosphine-Catalyzed [3 + 2] Cycloaddition of Allenoates with o-Hydroxyaryl Azomethine Ylides.","The Journal of organic chemistry","2017","82","23","12726","12734","10.1021/acs.joc.7b02560","","","0.71073","MoKα","","0.422","0.1642","","","0.2729","0.3796","","","","","","1.191","","","","has coordinates","204854","2020-10-21","18:00:00",""
"4033134","11.1968","0.0009","11.258","0.001","12.7572","0.0011","93.18","0.004","100.48","0.004","98.749","0.004","1557.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C60 H76 N4 O24 -","4","2","","Farren-Dai, Marco; Thompson, John R.; Bernardi, Anna; Colombo, Cinzia; Bennet, Andrew J.","Observation of a Tricyclic[4.1.0.02,4]heptane During a Michael Addition-Ring Closure Reaction and a Computational Study on Its Mechanism of Formation.","The Journal of organic chemistry","2017","82","23","12511","12519","10.1021/acs.joc.7b02218","","","0.71073","MoKα","","0.0617","0.0527","","","0.1492","0.1576","","","","","","1.061","","","","has coordinates,has disorder","204852","2020-10-21","18:00:00",""
"4033135","5.3586","0.0011","17.181","0.003","24.086","0.005","90","","90","","90","","2217.5","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0897","0.0516","","","0.1166","0.138","","","","","","1.023","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033136","5.2724","0.0003","12.5941","0.0006","19.4644","0.001","76.207","0.001","85.49","0.002","85.984","0.002","1249.54","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0572","0.0459","","","0.1152","0.1227","","","","","","1.04","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033137","5.1885","0.0012","8.975","0.002","25.944","0.006","90","","90","","90","","1208.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0484","0.0405","","","0.0901","0.0952","","","","","","1.025","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033138","5.222","0.003","15.414","0.009","16.654","0.009","90","","90","","90","","1340.5","1.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.039","0.0365","","","0.0958","0.0985","","","","","","1.067","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033139","7.142","0.002","11.87","0.004","16.292","0.006","107.677","0.008","90.937","0.005","100.663","0.007","1289.3","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0509","0.0378","","","0.0879","0.0957","","","","","","1.034","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033140","7.1832","0.0018","8.55","0.002","9.308","0.002","104.927","0.003","105.219","0.003","98.265","0.004","519.1","0.2","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.048","0.0409","","","0.1107","0.1178","","","","","","1.059","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033141","11.6324","0.0006","26.0858","0.0014","6.4645","0.0004","90","","90","","90","","1961.59","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 Cl3 N2 O3 -","- C15 H23 Cl3 N2 O3 -","- C60 H92 Cl12 N8 O12 -","4","1","","Martinez-Alsina, Luis A; Murray, John C.; Buzon, Leanne M.; Bundesmann, Mark W.; Young, Joseph M.; O'Neill, Brian T","Spiropiperidine Sultam and Lactam Templates: Diastereoselective Overman Rearrangement and Metathesis followed by NH Arylation.","The Journal of organic chemistry","2017","82","23","12246","12256","10.1021/acs.joc.7b02096","","","1.54178","CuKα","","0.0858","0.0812","","","0.2214","0.2256","","","","","","1.133","","","","has coordinates","204838","2020-10-21","18:00:00",""
"4033142","24.862","0.001","8.9677","0.0004","19.6735","0.0005","90","","97.685","0.002","90","","4346.9","0.3","200","","200","","","","","","","","local","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 N O2 S Si -","- C21 H31 N O2 S Si -","- C168 H248 N8 O16 S8 Si8 -","8","1","","Nugent, Jeremy; Matoušová, Eliška; Banwell, Martin G.; Willis, Anthony C.","The Palladium-Catalyzed Intramolecular Alder-Ene Reactions of O- and N-Linked 1,6-Enynes Incorporating Triethylsilyl Capping Groups.","The Journal of organic chemistry","2017","82","23","12569","12589","10.1021/acs.joc.7b02355","","","0.71073","MoKα","","0.0675","0.048","","0.1235","0.1128","0.1235","","","","","","0.9878","","","","has coordinates","204839","2020-10-21","18:00:00",""
"4033143","6.5878","0.0008","12.8623","0.0015","16.408","0.002","90","","90","","90","","1390.3","0.3","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl O3 -","- C14 H21 Cl O3 -","- C56 H84 Cl4 O12 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0271","0.0252","","","0.0607","0.0618","","","","","","1.042","","","","has coordinates","203193","2020-10-21","18:00:00",""
"4033144","8.5769","0.0012","13.3823","0.0018","15.729","0.002","90","","90","","90","","1805.4","0.4","88","2","88","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.036","0.0326","","","0.0773","0.0797","","","","","","1.034","","","","has coordinates","203194","2020-10-21","18:00:00",""
"4033145","15.0629","0.0016","17.1594","0.0018","18.0137","0.0019","90","","90","","90","","4656","0.9","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N2 O3 S -","- C23 H33 N2 O3 S -","- C184 H264 N16 O24 S8 -","8","2","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0608","0.0525","","","0.1412","0.1478","","","","","","1.033","","","","has coordinates","203195","2020-10-21","18:00:00",""
"4033146","7.9748","0.0009","14.1924","0.0017","17.903","0.002","89.1869","0.0016","83.5067","0.0016","74.6777","0.0016","1941.5","0.4","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","4","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.1227","0.0741","","","0.1758","0.2089","","","","","","1.018","","","","has coordinates,has disorder","203196","2020-10-21","18:00:00",""
"4033147","16.4621","0.0008","5.519","0.0003","24.511","0.0013","90","","90","","90","","2226.9","0.2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H23 N O5 S2 -","- C25 H23 N O5 S2 -","- C100 H92 N4 O20 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","1.54187","CuKα","","0.0705","0.0496","","","0.111","0.1386","","","","","","1.196","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033148","7.9922","0.0008","11.5964","0.0012","21.983","0.002","90","","90","","90","","2037.4","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","0.71075","MoKα","","","0.0439","","","","0.1008","","","","","","1.058","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033149","8.7104","0.0003","10.2793","0.0003","13.7385","0.0004","106.769","0.003","108.072","0.003","93.497","0.003","1104.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Br N O5 -","- C27 H20 Br N O5 -","- C54 H40 Br2 N2 O10 -","2","1","","Sivasankara, Chenikkayala; Satham, Lakshminarayana; Namboothiri, Irishi N. N.","One-Pot Construction of Functionalized Spiro-dihydronaphthoquinone-oxindoles via Hauser-Kraus Annulation of Sulfonylphthalide with 3-Alkylideneoxindoles.","The Journal of organic chemistry","2017","82","23","12939","12944","10.1021/acs.joc.7b02656","","","0.71073","MoKα","","0.0342","0.0309","","","0.077","0.0787","","","","","","1.062","","","","has coordinates","204833","2020-10-21","18:00:00",""
"4033150","9.1293","0.0011","11.8856","0.0016","13.6282","0.0018","90","","97.693","0.004","90","","1465.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4(methylamino)-3-(4-nitrobenzoyl)2-oxobut-3-enoic acid ethyl ester","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1246","0.0766","","","0.1313","0.165","","","","","","0.997","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033151","12.1528","0.0008","16.0299","0.001","8.9727","0.0005","90","","97.678","0.002","90","","1732.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1331","0.0667","","","0.115","0.1372","","","","","","1.021","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033152","11.0033","0.001","11.9445","0.001","14.1463","0.0011","90","","91.849","0.003","90","","1858.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(benzylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1423","0.0592","","","0.1353","0.1909","","","","","","0.985","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033153","14.1028","0.0003","11.5412","0.0003","10.4124","0.0002","90","","98.178","0.001","90","","1677.52","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isopropylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(isopropylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0591","0.0547","","","0.1511","0.1557","","","","","","1.039","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033154","8.7087","0.0013","11.9143","0.0018","17.31","0.003","90","","97.997","0.013","90","","1778.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(z)-4-(tert-butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0592","0.0493","","","0.1314","0.1416","","","","","","1.056","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033155","11.951","0.005","7.561","0.003","20.015","0.008","90","","99.777","0.01","90","","1782.3","1.3","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-nitrobenzoyl)-2-oxo-4-(phenylamino)but-3-enoic acid e","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C76 H64 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0927","0.0686","","","0.173","0.1891","","","","","","1.029","","","","has coordinates,has disorder","204837","2020-10-21","18:00:00",""
"4033156","30.378","0.006","6.892","0.002","17.711","0.004","90","0.03","102.59","0.03","90","0.03","3618.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methoxypehnyl amino nitrobenzoyl oxobut enoic acid ethyl","","","- C20 H18 N2 O7 -","- C20 H18 N2 O7 -","- C160 H144 N16 O56 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.103","0.0594","","","0.1674","0.2425","","","","","","1.067","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033157","10.8332","0.0007","10.336","0.0007","15.4805","0.001","90","","99.872","0.002","90","","1707.72","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ter-butylamino methoxybenzoyl oxobut enoic acid ethyl est","(Z)-4-(ter-butylamino)-3-(4-methoxybenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0928","0.0506","","","0.0972","0.1105","","","","","","1.033","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033158","27.51","0.02","7.656","0.008","18.984","0.015","90","","119.4","0.02","90","","3483","5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","","- C19 H15 N3 O5 -","- C19 H15 N3 O5 -","- C152 H120 N24 O40 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1367","0.0631","","","0.1331","0.1599","","","","","","1.008","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033159","7.0436","0.0008","16.3407","0.0015","9.9285","0.0011","90","","93.145","0.008","90","","1141","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C64 H44 N8 -","2","0.5","","Bornhof, Anna-Bea; Xiong, Ruisheng; Borbas, K. Eszter","Rational Synthesis of 2-Bromoporphyrins and 2,12-Dibromoporphyrins.","The Journal of organic chemistry","2017","82","23","12908","12913","10.1021/acs.joc.7b02404","","","0.71073","MoKα","","0.1603","0.0526","","","0.1009","0.1426","","","","","","1.011","","","","has coordinates","204842","2020-10-21","18:00:00",""
"4033160","9.558","0.003","12.696","0.004","12.822","0.004","118.63","0.004","92.463","0.004","93.918","0.005","1357.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Br N2 O5 -","- C32 H29 Br N2 O5 -","- C64 H58 Br2 N4 O10 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","0.71073","MoKα","","0.0637","0.0413","","","0.1128","0.1215","","","","","","1.063","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033161","12.7122","0.0002","13.1087","0.0002","21.4412","0.0003","73.575","0.001","88.091","0.001","61.492","0.001","2989.64","0.09","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H62 Br N3 O5 P2 Pd -","- C70 H62 Br N3 O5 P2 Pd -","- C140 H124 Br2 N6 O10 P4 Pd2 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","1.54178","CuKα","","0.0338","0.0324","","","0.0854","0.0865","","","","","","1.032","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033162","4.9054","0.0004","30.944","0.002","11.0135","0.0008","90","","94.3203","0.0013","90","","1667","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Hamal, Khagendra B.; Chalifoux, Wesley A.","One-Pot Synthesis of α-Carbonyl Bicyclic Furans via a Sequential Diels-Alder/5-Exo-Dig Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2017","82","23","12920","12927","10.1021/acs.joc.7b02479","","","0.71073","MoKα","","0.0716","0.0581","","","0.1505","0.1627","","","","","","0.856","","","","has coordinates","204850","2020-10-21","18:00:00",""
"4033163","8.1156","0.0007","11.1455","0.001","11.5815","0.0009","90.642","0.007","105.03","0.007","107.641","0.008","959.56","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N2 O2 S2 -","- C20 H17 Cl N2 O2 S2 -","- C40 H34 Cl2 N4 O4 S4 -","2","1","","Qi, Jie; Wang, Zaibin; Lang, Bo; Lu, Ping; Wang, Yanguang","TfOH-Catalyzed Reaction between 3-Diazoindolin-2-imines and Electron-Rich Arenes: Access to 3-Aryl-2-aminoindoles.","The Journal of organic chemistry","2017","82","23","12640","12646","10.1021/acs.joc.7b02423","","","0.71073","MoKα","","0.0666","0.0503","","","0.124","0.1386","","","","","","1.044","","","","has coordinates","204851","2020-10-21","18:00:00",""
"4033164","16.652","0.0008","19.7591","0.0006","20.6578","0.0011","90","","112.774","0.006","90","","6267.1","0.6","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2yn","14","","","","- C48 H24 F14 N4 S4 -","- C48 H24 F14 N4 S4 -","- C288 H144 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1595","0.0758","","","0.1728","0.2277","","","","","","0.966","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033165","15.3304","0.0003","17.3728","0.0004","21.0398","0.0004","107.553","0.0018","100.575","0.0016","111.083","0.0018","4708.9","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 F14 N4 S4 -","- C68 H64 F14 N4 S4 -","- C204 H192 F42 N12 S12 -","3","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0751","0.0533","","","0.1368","0.1507","","","","","","1.024","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033166","16.1364","0.0003","5.19816","0.00007","26.6969","0.0005","90","","98.5684","0.0017","90","","2214.33","0.07","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F14 N4 O2 S4 -","- C52 H32 F14 N4 O2 S4 -","- C104 H64 F28 N8 O4 S8 -","2","0.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.0939","0.0946","","","","","","1.123","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033167","15.2196","0.0007","15.3694","0.0005","24.0731","0.0006","101.545","0.002","102.351","0.003","105.027","0.003","5114","0.3","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C178 H35 Br32 Cl9 F56 N16 S16 -","4","2","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1579","0.0783","","","0.1761","0.2191","","","","","","1.019","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033168","15.36041","0.00017","25.7224","0.0002","20.8946","0.0002","90","","110.872","0.0013","90","","7713.84","0.14","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.33 H16 Br8 F14 N4 S4 -","- C47.3333 H16 Br8 F14 N4 S4 -","- C284 H96 Br48 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","0.71073","MoKα","","0.05","0.0369","","","0.084","0.0894","","","","","","1.022","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033169","8.954","0.006","30.616","0.017","10.213","0.007","90","","109.783","0.016","90","","2635","3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.25 H28.5 Cl0.5 N2 O7 -","- C25.25 H28.5 Cl0.5 N2 O7 -","- C101 H114 Cl2 N8 O28 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.2097","0.1909","","","0.4314","0.4524","","","","","","1.628","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033170","7.23","0.006","14.007","0.012","24.193","0.018","90","","97.842","0.012","90","","2427","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C100 H112 N8 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.0605","0.0457","","","0.1132","0.1247","","","","","","0.952","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033171","18.721","0.012","18.189","0.008","30.942","0.016","90","","99.292","0.012","90","","10398","10","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C432 H480 N32 O144 -","16","4","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.202","0.1548","","","0.3752","0.4401","","","","","","1.176","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033172","14.061","0.003","12.857","0.002","14.52","0.003","90","","109.008","0.005","90","","2481.8","0.8","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C108 H132 N4 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0508","0.0434","","","0.1137","0.1199","","","","","","1.032","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033173","10.3698","0.0015","11.4667","0.0012","12.0264","0.0011","65.754","0.008","80.975","0.012","85.855","0.012","1287.7","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C11.25 H19.5 Cl0.5 N O4 -","- C11.25 H19.5 Cl0.5 N O4 -","- C45 H78 Cl2 N4 O16 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0695","0.0616","","","0.1936","0.2001","","","","","","1.09","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033174","12.1335","0.0007","9.0731","0.0004","13.4839","0.0007","90","","109.111","0.006","90","","1402.61","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Dhiman, Ankit Kumar; Kumar, Rakesh; Kumar, Rakesh; Sharma, Upendra","Metal-Free Synthesis of 2-Substituted 3-(2-Hydroxyaryl)quinolines and 4-(2-Hydroxyaryl)acridines via Benzyne Chemistry.","The Journal of organic chemistry","2017","82","23","12307","12317","10.1021/acs.joc.7b02149","","x-ray","1.54184","CuKα","","0.0562","0.0497","","","0.1334","0.1436","","","","","","1.053","","","","has coordinates","204859","2020-10-21","18:00:00",""
"4033175","10.0379","0.0013","10.2812","0.0013","10.6299","0.0013","73.378","0.011","83.687","0.01","80.048","0.011","1033.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C46 H42 N6 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0947","0.0626","","","0.1581","0.1809","","","","","","1.072","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033176","7.1294","0.0007","32.835","0.003","10.2161","0.0009","90","","96.947","0.009","90","","2374","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O4 -","- C26 H25 N4 O4 -","- C104 H100 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.07","0.0602","","","0.1563","0.1635","","","","","","0.997","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033177","7.092","0.0015","34.99","0.008","9.922","0.003","90","","98.12","0.03","90","","2437.5","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N4 O4 -","- C26 H25 Cl N4 O4 -","- C104 H100 Cl4 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.118","0.0906","","","0.233","0.2541","","","","","","1.027","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033178","16.13","0.002","17.057","0.003","15.338","0.002","90","","106.066","0.014","90","","4055.1","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl N3 O3 -","- C23 H18 Cl N3 O3 -","- C184 H144 Cl8 N24 O24 -","8","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0696","0.0558","","","0.146","0.1586","","","","","","1.093","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033179","10.853","0.0015","12.0931","0.0016","12.7462","0.0012","111.386","0.01","93.203","0.01","111.842","0.013","1409.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 F N4 O4 -","- C31 H27 F N4 O4 -","- C62 H54 F2 N8 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.104","0.0736","","","0.2065","0.2348","","","","","","1.018","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033180","10.8079","0.0006","15.5573","0.0009","14.4369","0.0009","90","","94.828","0.001","90","","2418.8","0.2","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 B N3 O2 S -","- C24 H38 B N3 O2 S -","- C96 H152 B4 N12 O8 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.0681","0.0608","","","0.1589","0.1652","","","","","","1.025","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033181","11.3384","0.0004","11.3384","0.0004","17.9222","0.0011","90","","90","","90","","2304.07","0.18","85","2","85","2","","","","","","","","6","P 41","P 4w","76","","","","- C20 H33 B N2 O4 S -","- C20 H33 B N2 O4 S -","- C80 H132 B4 N8 O16 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.037","0.0356","","","0.096","0.0975","","","","","","1.046","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033182","7.6936","0.0013","7.8268","0.0014","13.667","0.002","93.177","0.005","94.183","0.004","119.259","0.004","712.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C34 H36 O4 S2 -","2","1","","Zou, Liang-Hua; Zhao, Cong; Li, Ping-Gui; Wang, Ying; Li, Jie","Transition-Metal-Free C-S Bond Formation: Synthesis of Polysubstituted Diaryl Sulfides and α-Thioarylcarbonyl Compounds.","The Journal of organic chemistry","2017","82","23","12892","12898","10.1021/acs.joc.7b02384","","","0.71073","MoKα","","0.0494","0.0427","","","0.1155","0.1199","","","","","","1.079","","","","has coordinates","204867","2020-10-21","18:00:00",""
"4033183","10.094","0.0003","10.1679","0.0003","12.6813","0.0003","81.8483","0.0013","72.4104","0.0012","71.5178","0.0011","1175.17","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F3 N2 O2 -","- C28 H25 F3 N2 O2 -","- C56 H50 F6 N4 O4 -","2","1","","Pandey, Vinay Kumar; Anbarasan, Pazhamalai","One-Pot Trifluoromethylative Functionalization of Amides: Synthesis of Trifluoromethylated Bis(indolyl)arylmethanes and Triarylmethanes.","The Journal of organic chemistry","2017","82","23","12328","12336","10.1021/acs.joc.7b02161","","x-ray","0.71073","MoKα","","0.0751","0.0566","","","0.1669","0.1846","","","","","","1.042","","","","has coordinates","204869","2020-10-21","18:00:00",""
"4033184","12.0569","0.0008","4.7415","0.0003","13.0804","0.0009","90","","111.418","0.005","90","","696.14","0.08","130","2","130","2","","","","","","","","2","C 1 2 1","C 2y","5","","'Compound 2a'","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0298","0.0279","","","0.0721","0.0732","","","","","","1.024","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033185","36.346","0.0015","36.346","0.0015","5.8926","0.0003","90","","90","","120","","6741.4","0.5","130","2","130","2","","","","","","","","2","R -3 :H","-R 3","148","","compound 7a","","- C20 H18 -","- C20 H18 -","- C360 H324 -","18","1","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0548","0.0415","","","0.108","0.1153","","","","","","1.044","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033186","21.865","0.0013","11.0751","0.0008","14.5182","0.001","90","","91.754","0.002","90","","3514","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'compound [RhCl(7a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C164 H152 Cl16 Rh8 -","4","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0369","0.0253","","","0.0585","0.0618","","","","","","1.028","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033187","12.2875","0.0006","17.5098","0.0008","33.0426","0.0018","90","","90","","90","","7109.2","0.6","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'compound [RhCl(2a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C328 H304 Cl32 Rh16 -","8","2","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0638","0.0411","","","0.0754","0.0804","","","","","","1.008","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033188","13.4732","0.0005","14.8888","0.0006","9.621","0.0004","90","","90","","90","","1929.97","0.13","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C100 H84 N4 O4 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Wei, Wen-Long; Qiao, Yan","AlCl3-Catalyzed Intramolecular Cyclization of N-Arylpropynamides with N-Sulfanylsuccinimides: Divergent Synthesis of 3-Sulfenyl Quinolin-2-ones and Azaspiro[4,5]trienones.","The Journal of organic chemistry","2017","82","24","13459","13467","10.1021/acs.joc.7b02498","","","0.71073","MoKα","","0.0664","0.0422","","","0.0832","0.0926","","","","","","1.031","","","","has coordinates","204811","2020-10-21","18:00:00",""
"4033189","14.829","0.002","7.658","0.001","16.225","0.002","90","","114.477","0.009","90","","1676.9","0.4","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B N2 -","- C19 H23 B N2 -","- C76 H92 B4 N8 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.2706","0.0916","","","0.219","0.288","","","","","","1.059","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033190","21.63","0.005","10.13","0.005","7.429","0.002","90","","90","","90","","1627.8","1","230","2","230","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H22 B N3 -","- C18 H22 B N3 -","- C72 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1766","0.0791","","","0.1621","0.2118","","","","","","1.099","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033191","8.1392","0.0005","12.5325","0.0008","17.0339","0.0012","90","","90","","90","","1737.5","0.2","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B N3 -","- C20 H22 B N3 -","- C80 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1102","0.0553","","","0.132","0.155","","","","","","1.091","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033192","6.97","0.002","7.005","0.002","34.186","0.011","90","","90","","90","","1669.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Roizen, Jennifer L.; Jones, Amanda C.; Smith, Russell C.; Virgil, Scott C.; Stoltz, Brian M.","Model Studies To Access the [6,7,5,5]-Core of Ineleganolide Using Tandem Translactonization-Cope or Cyclopropanation-Cope Rearrangements as Key Steps.","The Journal of organic chemistry","2017","82","24","13051","13067","10.1021/acs.joc.7b02030","","","0.71073","MoKα","","0.1046","0.0694","","","0.1073","0.1141","","","","","","1.298","","","","has coordinates","204795","2020-10-21","18:00:00",""
"4033193","6.3211","0.0002","8.5298","0.0002","20.3965","0.0008","90","","90.395","0.001","90","","1099.71","0.06","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C50 H48 Cl2 N2 O4 S2 -","2","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","0.71073","MoKα","","0.0492","0.0391","","","0.0841","0.0891","","","","","","1.047","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033194","14.1684","0.0003","9.609","0.0002","14.3695","0.0003","90","","90","","90","","1956.32","0.07","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl N O3 S -","- C20 H24 Cl N O3 S -","- C80 H96 Cl4 N4 O12 S4 -","4","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","1.54178","CuKα","","0.0278","0.0259","","","0.0632","0.0645","","","","","","1.049","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033195","18.844","0.003","5.5118","0.0009","12.7313","0.0016","90","","107.388","0.006","90","","1261.9","0.3","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","0.5","","Jha, Vishwajeet; Goyal, Navneet; Stevens, Cheryl K.; Stevens, Edwin; Sridhar, Jayalakshmi","Synthetic Method to Form 2,2'-Bis(naphthoquinone) Compounds.","The Journal of organic chemistry","2017","82","24","13686","13692","10.1021/acs.joc.7b02501","","","0.71073","MoKα","","0.0858","0.0717","","","0.1719","0.1771","","","","","","1.064","","","","has coordinates","204798","2020-10-21","18:00:00",""
"4033196","8.1655","0.0013","10.6003","0.0018","12.896","0.002","76.273","0.006","87.655","0.007","78.31","0.006","1061.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O8 -","- C24 H19 N O8 -","- C48 H38 N2 O16 -","2","1","","Bisht, Shweta; Peddinti, Rama Krishna","FeCl3-Mediated Domino Reaction of Benzoxazinones with Aroylmethylidene Malonates: Synthesis to Functionalized Pyrrolobenzoxazines.","The Journal of organic chemistry","2017","82","24","13617","13625","10.1021/acs.joc.7b02207","","","0.71073","MoKα","","0.049","0.0428","","","0.1187","0.124","","","","","","1.052","","","","has coordinates","204806","2020-10-21","18:00:00",""
"4033197","10.7578","0.0012","8.1502","0.0009","16.2547","0.0016","90","","103.833","0.005","90","","1383.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","1","","Wurm, Thomas; Turnbull, Ben W. H.; Ambler, Brett R.; Krische, Michael J.","Thermal Hetero-Diels-Alder Reaction of Benzocyclobutenones with Isatins To Form 2-Oxindole Spirolactones.","The Journal of organic chemistry","2017","82","24","13751","13755","10.1021/acs.joc.7b02769","","","0.71073","MoKα","","0.0626","0.044","","","0.1051","0.1145","","","","","","1.029","","","","has coordinates","204814","2020-10-21","18:00:00",""
"4033198","14.1234","0.0008","10.611","0.0012","15.8504","0.0012","90","","105.486","0.006","90","","2289.2","0.3","100.3","","100.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F3 N O4 -","- C26 H26 F3 N O4 -","- C104 H104 F12 N4 O16 -","4","1","","Cheng, Jian; Sun, Jun; Yan, Jiekuan; Yang, Song; Zheng, Pengcheng; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Indole 3-Methyl C(sp3)-H Bond Functionalization.","The Journal of organic chemistry","2017","82","24","13342","13347","10.1021/acs.joc.7b02436","","","0.7107","MoKα","","0.0605","0.0489","","","0.1131","0.122","","","","","","1.025","","","","has coordinates","204817","2020-10-21","18:00:00",""
"4033199","10.691","","21.5103","","14.9915","","90","","98.822","","90","","3406.76","","143","","143","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C118 H112 Cl4 F24 N8 O16 Sb4 -","2","0.5","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1254","0.085","","","0.2052","0.2367","","","","","","1.004","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033200","25.919","0.012","25.919","0.012","11.739","0.006","90","","90","","90","","7886","7","143","","143","","","","","","","","","6","I -4","I -4","82","","","","- C120 H124 Cl44 N8 O8 Sb6 -","- C120 H96 Cl44 N8 O8 Sb6 -","- C240 H192 Cl88 N16 O16 Sb12 -","2","0.25","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.0786","0.0587","","","0.1237","0.1371","","","","","","0.909","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033201","12.216","0.002","15.614","0.003","23.054","0.004","90","","92.341","0.003","90","","4393.7","1.3","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 N4 O4 -","- C53 H46 Cl2 N4 O4 -","- C212 H184 Cl8 N16 O16 -","4","1","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1455","0.0778","","","0.1886","0.2234","","","","","","0.85","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033202","15.3053","0.0004","14.8181","0.0005","8.1391","0.0004","90","","96.118","0.003","90","","1835.4","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C80 H68 Cl4 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0723","0.0558","","","0.1223","0.1323","","","","","","1.024","","","","has coordinates,has disorder","204819","2020-10-21","18:00:00",""
"4033203","11.4731","0.0004","20.694","0.0004","11.6733","0.0004","90","","116.529","0.004","90","","2479.71","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C100 H84 Cl4 F24 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0505","0.038","","","0.0793","0.0848","","","","","","1.055","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033204","7.5654","0.0004","11.1449","0.0009","14.5379","0.0011","79.542","0.007","81.945","0.006","88.919","0.006","1193.49","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.7107","MoKα","","0.0607","0.041","","","0.0798","0.091","","","","","","1.014","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033205","9.2367","0.0003","9.8868","0.0003","14.3883","0.0004","96.813","0.003","93.134","0.003","107.521","0.003","1238.47","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0649","0.0528","","","0.1385","0.1464","","","","","","1.045","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033206","8.959","0.002","10.712","0.003","11.971","0.003","98.262","0.004","97.066","0.004","100.438","0.004","1104.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C52 H44 Br2 N2 O6 -","2","1","","Kroc, Michelle A.; Prajapati, Ami; Wink, Donald J.; Anderson, Laura L.","Cascade Synthesis of 3-Functionalized Indoles from Nitrones and their Conversion to Cycloheptanone-Fused Indoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02638","","","0.71073","MoKα","","0.0643","0.0412","","","0.115","0.1325","","","","","","0.843","","","","has coordinates","203646","2020-10-21","18:00:00",""
"4033207","6.9803","0.0008","14.8048","0.0016","14.8173","0.0017","90","","90","","90","","1531.2","0.3","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O5 -","- C18 H12 Cl N O5 -","- C72 H48 Cl4 N4 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0232","0.0227","","","0.0618","0.062","","","","","","1.043","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033208","10.132","0.002","20.982","0.005","7.485","0.002","90","","91.647","0.007","90","","1590.6","0.7","128","2","128","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl2 N3 O5 -","- C15 H13 Cl2 N3 O5 -","- C60 H52 Cl8 N12 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0254","0.0248","","","0.0678","0.0683","","","","","","1.046","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033209","10.3202","0.0013","15.352","0.0019","20.375","0.003","69.201","0.004","81.721","0.004","89.922","0.004","2982","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Cl N2 O3 -","- C36 H31 Cl N2 O3 -","- C144 H124 Cl4 N8 O12 -","4","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2269","0.0832","","","0.1627","0.2106","","","","","","1.005","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033210","12.755","0.004","17.504","0.005","12.366","0.004","90","","104.956","0.011","90","","2667.4","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C120 H112 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2485","0.1434","","","0.3515","0.3997","","","","","","1.085","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033211","10.145","0.005","12.381","0.006","13.498","0.007","75.693","0.014","83.221","0.016","85.987","0.016","1629.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cl N2 O3 -","- C33 H33 Cl N2 O3 -","- C66 H66 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2276","0.1388","","","0.3446","0.3919","","","","","","1.096","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033212","10.947","0.006","11.922","0.006","13.843","0.007","98.659","0.016","110.407","0.016","99.101","0.015","1630.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2957","0.1096","","","0.2835","0.3591","","","","","","1.016","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033213","21.8784","0.0019","16.5957","0.0014","9.1581","0.0007","90","","90","","90","","3325.2","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H33 N3 O4 -","- C41 H33 N3 O4 -","- C164 H132 N12 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.136","0.0537","","","0.0915","0.1112","","","","","","1.01","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033214","12.0103","0.0008","12.0103","0.0008","43.759","0.003","90","","90","","90","","6312.1","0.7","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2475","0.168","","","0.4082","0.4526","","","","","","1.092","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033215","8.4622","0.0007","18.6062","0.0015","22.0126","0.0017","90","","94.106","0.002","90","","3457","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl N2 O4 -","- C39 H39 Cl N2 O4 -","- C156 H156 Cl4 N8 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1302","0.0733","","","0.1993","0.2231","","","","","","1.06","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033216","12.5051","0.0019","9.5333","0.0015","26.477","0.004","90","","100.969","0.005","90","","3098.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 Cl N2 O2 -","- C39 H35 Cl N2 O2 -","- C156 H140 Cl4 N8 O8 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.268","0.0772","","","0.1265","0.1536","","","","","","0.944","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033217","11.181","0.003","10.487","0.003","24.288","0.007","90","","99.83","0.01","90","","2806.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl N2 O3 -","- C33 H31 Cl N2 O3 -","- C132 H124 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1457","0.0652","","","0.1338","0.1616","","","","","","1.013","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033218","15.6205","0.0014","11.6653","0.0009","16.5056","0.0014","90","","90","","90","","3007.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H37 Cl N2 O3 -","- C36 H37 Cl N2 O3 -","- C144 H148 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1029","0.0573","","","0.1326","0.1499","","","","","","1.019","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033219","8.472","0.0004","13.9354","0.0007","14.9305","0.0007","62.4022","0.0014","77.6344","0.0015","88.9009","0.0016","1519.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.0943","0.0584","","","0.1529","0.1704","","","","","","1.027","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033220","28.176","0.015","10.794","0.004","23.96","0.009","90","","102.371","0.019","90","","7118","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1808","0.0798","","","0.2267","0.2543","","","","","","1.039","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033221","35.6802","0.0016","8.9154","0.0004","25.3738","0.0013","90","","125.393","0.0012","90","","6579.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C280 H232 Cl8 N16 O24 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1122","0.0643","","","0.1649","0.1883","","","","","","1.037","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033222","7.8293","0.0016","12.489","0.003","12.762","0.003","101.18","0.03","94.22","0.03","97.69","0.03","1206.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 B N2 O S -","- C28 H29 B N2 O S -","- C56 H58 B2 N4 O2 S2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.048","","","0.1155","0.1316","","","","","","1.074","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033223","7.7972","0.0004","11.7876","0.0006","12.3016","0.0007","66.098","0.003","82.745","0.004","77.286","0.004","1007.46","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 B N2 O -","- C25 H23 B N2 O -","- C50 H46 B2 N4 O2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.1037","0.0739","","","0.2274","0.245","","","","","","1.107","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033224","8.9083","0.0003","14.5182","0.0005","21.1754","0.0007","90","","100.057","0.002","90","","2696.59","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 B Cl2 N2 O -","- C32 H29 B Cl2 N2 O -","- C128 H116 B4 Cl8 N8 O4 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.0449","","","0.0952","0.1096","","","","","","1.077","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033225","8.6859","0.0002","15.3055","0.0003","15.4712","0.0003","90.457","0.001","96.07","0.001","99.711","0.001","2015.24","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 B N2 -","- C25 H23 B N2 -","- C100 H92 B4 N8 -","4","2","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0573","0.0459","","","0.1164","0.1254","","","","","","1.047","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4033226","10.4394","0.0005","11.3922","0.0005","19.9876","0.001","90","","96.249","0.001","90","","2362.96","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B N2 -","- C31 H27 B N2 -","- C124 H108 B4 N8 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0569","0.0414","","","0.0919","0.1003","","","","","","1.048","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033227","11.4375","0.0003","13.0457","0.0003","21.164","0.0005","90","","102.68","0.001","90","","3080.87","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N3 O10 -","- C31 H39 N3 O10 -","- C124 H156 N12 O40 -","4","1","","Perkins, Jonathan C.; Wang, Xiye; Pike, Robert D.; Scheerer, Jonathan R.","Further Investigation of the Intermolecular Diels-Alder Cycloaddition for the Synthesis of Bicyclo[2.2.2]diazaoctane Alkaloids.","The Journal of organic chemistry","2017","82","24","13656","13662","10.1021/acs.joc.7b02403","","","1.54178","CuKα","","0.0537","0.05","","","0.1384","0.1425","","","","","","1.044","","","","has coordinates","204810","2020-10-21","18:00:00",""
"4033228","7.722","0.003","12.395","0.005","15.776","0.006","90","","89.933","0.006","90","","1510","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.318","0.2296","","","0.558","0.5955","","","","","","2.114","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033229","7.8903","0.0001","15.974","0.0003","11.8637","0.0002","90","","100.05","0.001","90","","1472.35","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","1.54178","CuKα","","0.0373","0.0372","","","0.0935","0.0935","","","","","","1.098","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033230","7.2447","0.001","13.8888","0.0018","8.0725","0.0011","90","","101.937","0.002","90","","794.69","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.0304","0.0293","","","0.0783","0.0794","","","","","","1.076","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033231","17.8938","0.0004","15.0422","0.0004","8.53393","0.00018","90","","90","","90","","2297.01","0.09","110","2","110","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C108 H84 B4 S8 -","4","0.5","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","1.54178","CuKα","","0.0391","0.0337","","","0.09","0.0942","","","","","","1.048","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033232","22.1776","0.0007","22.1776","0.0007","7.4995","0.0003","90","","90","","120","","3194.42","0.19","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C162 H126 B6 S12 -","6","1","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","0.71073","MoKα","","0.0559","0.0436","","","0.1085","0.1169","","","","","","1.045","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033233","8.4415","0.0003","15.246","0.0006","15.871","0.0006","95.385","0.002","95.271","0.002","96.377","0.002","2010.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 N4 O5 S3 -","- C52 H34 N2 O4 S2 -","- C104 H68 N4 O8 S4 -","2","1","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1091","0.0554","","","0.1503","0.2201","","","","","","0.787","","","","has coordinates","204820","2020-10-21","18:00:00",""
"4033234","14.6299","0.0004","14.6404","0.0004","15.5052","0.0004","66.918","0.001","68.253","0.001","71.672","0.002","2781.53","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O9 S3 -","- C30 H25 Br N O4 S3 -","- C120 H100 Br4 N4 O16 S12 -","4","2","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1671","0.0491","","","0.124","0.1911","","","","","","0.983","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033235","21.191","0.015","32.62","0.02","19.973","0.014","90","","113.248","0.007","90","","12685","15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H111 N3 O19 -","- C92 H111 N3 O19 -","- C368 H444 N12 O76 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1691","0.1341","","","0.3574","0.3784","","","","","","1.045","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033236","16.813","0.004","21.414","0.005","22.481","0.005","65.245","0.003","75.329","0.003","88.64","0.003","7079","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H175 N7 O25 -","- C120.004 H175.009 N7.001 O25.001 -","- C240.008 H350.018 N14.002 O50.002 -","2","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1976","0.1136","","","0.2829","0.3171","","","","","","1.07","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033237","12.148","0.003","38.603","0.008","15.251","0.003","90","","108.773","0.003","90","","6771","3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C138 H202 N10 O26 -","- C138 H202 N10 O26 -","- C276 H404 N20 O52 -","2","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.112","0.0823","","","0.2175","0.237","","","","","","1.069","","","","has coordinates","204797","2020-10-21","18:00:00",""
"4033238","16.597","0.003","42.559","0.007","19.786","0.003","90","","102.717","0.002","90","","13633","4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C137 H213 N11 O27 -","- C137 H213 N11 O27 -","- C548 H852 N44 O108 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1163","0.078","","","0.19","0.2101","","","","","","1.032","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4033239","11.388","0.002","14.825","0.003","20.643","0.004","89.102","0.002","76.622","0.002","71.446","0.002","3208","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","1","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1362","0.0996","","","0.2893","0.3194","","","","","","1.192","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033240","9.4154","0.0008","12.766","0.0012","13.1363","0.0012","90","","90","","90","","1578.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C56 H84 N4 O8 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Synthesis of β-Amino Ketones by Addition of Aryl Methyl Ketones to Sulfinimines: Application to the Total Synthesis of HPA-12, Norsedamine, and Sedamine.","The Journal of organic chemistry","2017","82","24","13488","13499","10.1021/acs.joc.7b02611","","","0.71073","MoKα","","0.0475","0.0355","","","0.0818","0.087","","","","","","1.07","","","","has coordinates","204813","2020-10-21","18:00:00",""
"4033241","18.9318","0.0007","9.1249","0.0003","11.0844","0.0004","90","","93.622","0.003","90","","1911.01","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Changcheng; Lai, Jialin; Chen, Cantao; Li, Xuechen; Cao, Hua","Ag-Catalyzed Tandem Three-Component Reaction toward the Synthesis of Multisubstituted Imidazoles.","The Journal of organic chemistry","2017","82","24","13740","13745","10.1021/acs.joc.7b02612","","x-ray","1.54184","CuKα","","0.1225","0.1189","","","0.3425","0.3437","","","","","","1.095","","","","has coordinates","204804","2020-10-21","18:00:00",""
"4033242","6.5977","0.0007","6.954","0.0007","13.0578","0.0013","82.254","0.008","84.013","0.008","63.46","0.01","530.42","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","1","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0474","0.0429","","","0.1","0.1022","","","","","","1.075","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033243","6.097","0.0003","25.7082","0.0011","7.423","0.0003","90","","110.555","0.005","90","","1089.43","0.09","100","2","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H35 Cl O4 Si2 -","- C17 H35 Cl O4 Si2 -","- C34 H70 Cl2 O8 Si4 -","2","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0436","0.0391","","","0.0953","0.0969","","","","","","1.016","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033244","10.3098","0.0006","19.1132","0.0009","19.3897","0.001","90","","99.389","0.002","90","","3769.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O5 S -","- C20 H20 O5 S -","- C160 H160 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0366","","","0.0833","0.0885","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033245","10.3973","0.0005","11.4451","0.0005","18.3533","0.0009","90","","98.29","0.001","90","","2161.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O5 S -","- C26 H24 O5 S -","- C104 H96 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0382","0.0335","","","0.0844","0.0879","","","","","","1.036","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033246","24.9437","0.0014","8.7955","0.0005","11.5489","0.0006","90","","94.461","0.002","90","","2526.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H48 Cl2 F2 O10 S2 -","- C53 H48 Cl2 F2 O10 S2 -","- C106 H96 Cl4 F4 O20 S4 -","2","0.5","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0444","0.0382","","","0.1098","0.1185","","","","","","1.057","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033247","11.0102","0.0003","9.1251","0.0002","11.497","0.0003","90","","91.296","0.002","90","","1154.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C56 H56 O10 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0359","0.033","","","0.0717","0.076","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033248","12.0995","0.0007","11.0442","0.0006","18.1654","0.001","90","","100.641","0.002","90","","2385.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C112 H112 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0503","0.0396","","","0.0987","0.1051","","","","","","1.047","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033249","9.262","0.0005","29.1519","0.0015","10.0839","0.0005","90","","92.582","0.001","90","","2719.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl2 O5 S -","- C29 H30 Cl2 O5 S -","- C116 H120 Cl8 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0359","","","0.0845","0.0895","","","","","","1.028","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033250","21.8205","0.0014","11.6934","0.0006","22.0291","0.0015","90","","95.383","0.002","90","","5596.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 O5 S -","- C33 H30 O5 S -","- C264 H240 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0455","0.0382","","","0.1026","0.1083","","","","","","1.051","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033251","8.5498","0.0019","9.5122","0.0013","16.619","0.002","95.944","0.01","100.27","0.012","107.515","0.014","1250.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O10 S -","- C25 H24 N2 O10 S -","- C50 H48 N4 O20 S2 -","2","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54184","CuKα","","0.0635","0.0571","","","0.1576","0.1637","","","","","","1.0466","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033252","10.893","0.002","19.835","0.004","12.801","0.003","90","","96.8","0.03","90","","2746.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F6 N2 O8 S -","- C26 H22 F6 N2 O8 S -","- C104 H88 F24 N8 O32 S4 -","4","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54178","CuKα","","0.0424","0.0351","","","0.0828","0.087","","","","","","1.0521","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033253","11.29659","0.00018","28.0997","0.0004","7.63435","0.0001","90","","96.334","0.0013","90","","2408.58","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C104 H96 N32 O16 -","8","2","","Orrego-Hernández, Jessica; Portilla, Jaime","Synthesis of Dicyanovinyl-Substituted 1-(2-Pyridyl)pyrazoles: Design of a Fluorescent Chemosensor for Selective Recognition of Cyanide.","The Journal of organic chemistry","2017","82","24","13376","13385","10.1021/acs.joc.7b02460","","","0.71073","MoKα","","0.049","0.0335","","","0.1128","0.1195","","","","","","0.947","","","","has coordinates","204816","2020-10-21","18:00:00",""
"4033254","13.7712","0.0014","7.5501","0.0008","17.8422","0.0019","90","","103.906","0.002","90","","1800.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br F N O3 -","- C20 H17 Br F N O3 -","- C80 H68 Br4 F4 N4 O12 -","4","1","","Zhu, Yi; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Zhou, Jie; Pan, Yi","Chemoselective SN2' Allylations of Detrifluoroacetylatively In Situ Generated 3-Fluoroindolin-2-one-Derived Tertiary Enolates with Morita-Baylis-Hillman Carbonates.","The Journal of organic chemistry","2017","82","24","13663","13670","10.1021/acs.joc.7b02409","","","0.71073","MoKα","","0.0483","0.0403","","","0.1092","0.1264","","","","","","1.096","","","","has coordinates","204793","2020-10-21","18:00:00",""
"4033255","13.0141","0.0008","13.0141","0.0008","40.507","0.003","90","","90","","90","","6860.5","0.8","200","2","200","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C60 H80 N4 O17 Rh2 -","- C60 H80 N4 O17 Rh2 -","- C240 H320 N16 O68 Rh8 -","4","0.25","","O'Brien, Jessica G K; Chintala, Srinivasa R.; Fox, Joseph M.","Stereoselective Synthesis of Bicyclo[6.1.0]nonene Precursors of the Bioorthogonal Reagents s-TCO and BCN.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02329","","","0.71073","MoKα","","0.0375","0.0364","","","0.1035","0.1055","","","","","","1.063","","","","has coordinates,has disorder","204025","2020-10-21","18:00:00",""
"4033256","6.8905","0.0004","22.4857","0.0012","16.6825","0.0008","90","","93.375","0.002","90","","2580.3","0.2","296","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br N2 O4 S -","- C27 H25 Br N2 O4 S -","- C108 H100 Br4 N8 O16 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1067","0.0761","","","0.1309","0.1411","","","","","","1.206","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033257","7.2655","0.0004","8.5522","0.0004","27.6699","0.0019","90","","96.753","0.006","90","","1707.37","0.17","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N O2 S -","- C18 H19 Br N O2 S -","- C72 H76 Br4 N4 O8 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1126","0.0928","","","0.2483","0.2578","","","","","","1.135","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033258","11.307","0.003","18.799","0.005","10.72","0.003","90","","115.779","0.007","90","","2051.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C108 H84 N12 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","A C-H Oxidation/Two-Fold Cyclization Approach to Imidazopyridoindole Scaffold under Mild Oxidizing Conditions.","The Journal of organic chemistry","2017","82","24","13671","13677","10.1021/acs.joc.7b02448","","","0.71073","MoKα","","0.0972","0.054","","","0.1284","0.1546","","","","","","0.968","","","","has coordinates","204815","2020-10-21","18:00:00",""
"4033259","17.7803","0.0006","25.6504","0.0008","20.8183","0.0006","90","","92.2807","0.0011","90","","9487.1","0.5","131","2","130.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H120 I N2 O2 Yb -","- C114 H120 I N2 O2 Yb -","- C456 H480 I4 N8 O8 Yb4 -","4","1","","Wang, Weifan; Shen, Xingchao; Zhao, Fengyi; Jiang, Huan; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Ytterbium-Catalyzed Hydroboration of Aldehydes and Ketones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02076","","","0.71073","MoKα","","0.0637","0.0378","","","0.0846","0.0946","","","","","","1.03","","","","has coordinates","204053","2020-10-21","18:00:00",""
"4033260","7.9922","0.0005","8.6781","0.0005","12.2571","0.0007","91.753","0.001","97.967","0.001","98.996","0.001","830.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","G02951040","gene334","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C44 H44 N4 O2 -","2","1","","Chen, Anthony Y.; Lu, Qianqian; Fu, Yao; Sarpong, Richmond; Stoltz, Brian M.; Zhang, Haiming","Isocanthine Synthesis via Rh(III)-Catalyzed Intramolecular C─H Functionalization.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02731","","","0.71073","MoKα","","0.0542","0.0399","","","0.0969","0.1094","","","","","","1.053","","","","has coordinates","204086","2020-10-21","18:00:00",""
"4033261","7.7348","0.0017","11.031","0.002","18.97","0.004","90","","99.071","0.007","90","","1598.3","0.6","293","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.2126","0.1334","","","0.375","0.4194","","","","","","1.316","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4033262","8.756","0.002","8.879","0.002","9.397","0.002","84.18","0.004","73.556","0.004","74.346","0.004","674.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.0674","0.0547","","","0.1347","0.144","","","","","","1.037","","","","has coordinates","204088","2020-10-21","18:00:00",""
"4033263","10.377","0.005","22.737","0.005","8.394","0.005","90","0.005","103.551","0.005","90","0.005","1925.4","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Bisht, Shweta; Rani, Rashmi; Peddinti, Rama Krishna","Regioselective Synthesis of Bicyclic and Polycyclic Systems by Cycloaddition Reactions of Alkenyl p-Benzoquinones","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b02377","","","0.71073","MoKα","","0.1162","0.0588","","","0.166","0.2172","","","","","","1.263","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4033264","33.7382","0.0008","26.6877","0.0008","4.17233","0.00011","90","","90","","90","","3756.74","0.17","117","","117","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H7 I O4 -","- C8 H7 I O4 -","- C128 H112 I16 O64 -","16","1","","Dieckmann, Michael Christian; Dakas, Pierre-Yves; De Mesmaeker, Alain","Synthetic access to non-canonical strigolactones - Syntheses of carlactonic acid and methyl carlactonoate.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02465","","","1.54184","CuKα","","0.0685","0.068","","0.1608","0.1599","0.1608","","","","","","0.9423","","","","has coordinates","204090","2020-10-21","18:00:00",""
"4033265","4.2649","0.0018","27.927","0.007","9.166","0.002","90","","100.79","0.03","90","","1072.4","0.6","117","","117","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 I O5 -","- C9 H9 I O5 -","- C36 H36 I4 O20 -","4","1","","Dieckmann, Michael Christian; Dakas, Pierre-Yves; De Mesmaeker, Alain","Synthetic access to non-canonical strigolactones - Syntheses of carlactonic acid and methyl carlactonoate.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02465","","","1.54184","CuKα","","0.0881","0.0742","","0.1463","0.1409","0.1463","","","","","","1.0978","","","","has coordinates","204091","2020-10-21","18:00:00",""
"4033266","11.1961","0.0006","6.5619","0.0003","12.9957","0.0008","90","","100.474","0.002","90","","938.86","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Periasamy, Mariappan; Mohan, Lakavathu; Satyanarayana, Iddum; Reddy, Polimera Obula","Enantioselective Synthesis of β-Allenoates via Phosphine Catalysed and ZnI2 Promoted Preparation of Oxozolidines and Propargylamines using Chiral Amines, 1-Alkynes and Propiolates.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02632","","","0.71073","MoKα","","0.0469","0.0377","","","0.0804","0.0838","","","","","","1.108","","","","has coordinates","204092","2020-10-21","18:00:00",""
"4033267","27.273","0.011","8.882","0.004","23.383","0.015","90","","124.068","0.007","90","","4692","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H50 N2 O6 S2 -","- C56 H50 N2 O6 S2 -","- C224 H200 N8 O24 S8 -","4","0.5","","Yu, Ruixia; Li, Dejun; Zeng, Fanlong","Palladium-Catalyzed Sequential Vinylic C-H Arylation/Amination of 2-Vinylanilines with Aryl boronic Acids: Access to 2-Arylindoles.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02728","","","0.71073","MoKα","","0.0835","0.0503","","","0.123","0.1411","","","","","","1","","","","has coordinates","204093","2020-10-21","18:00:00",""
"4033268","18.4527","0.0008","14.5187","0.0008","7.1119","0.0003","90","","90","","90","","1905.34","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H18 N6 O4 -","- C17 H18 N6 O4 -","- C68 H72 N24 O16 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","","1.54178","CuKα","","0.043","0.0405","","","0.0955","0.0977","","","","","","1.063","","","","has coordinates,has disorder","204163","2020-10-21","18:00:00",""
"4033269","27.8891","0.0004","11.56007","0.00017","11.29536","0.00018","90","","96.1043","0.0013","90","","3620.98","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl2 N2 O4 -","- C14 H22 Cl2 N2 O4 -","- C112 H176 Cl16 N16 O32 -","8","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.0432","0.0414","","","0.1178","0.12","","","","","","1.073","","","","has coordinates","204164","2020-10-21","18:00:00",""
"4033270","12.60521","0.00006","10.85069","0.00004","13.53848","0.00007","90","","102.191","0.0005","90","","1809.97","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl2 N2 O5 -","- C15 H22 Cl2 N2 O5 -","- C60 H88 Cl8 N8 O20 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.0298","0.0296","","","0.0823","0.0824","","","","","","1.063","","","","has coordinates","204165","2020-10-21","18:00:00",""
"4033271","14.02756","0.0001","5.73781","0.00004","21.00103","0.00012","90","","102.12","0.0007","90","","1652.64","0.019","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F2 N2 O4 -","- C14 H22 F2 N2 O4 -","- C56 H88 F8 N8 O16 -","4","1","","Pancholi, Alpa K.; Iacobini, Gregory P.; Clarkson, Guy J.; Porter, David W.; Shipman, Michael","Synthesis of 4,5-diazaspiro[2.3]hexanes and 1,2-diazaspiro[3.3]heptanes as hexahydropyridazine analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02622","","x-ray","1.54184","CuKα","","0.038","0.0378","","","0.0967","0.0968","","","","","","1.135","","","","has coordinates","204166","2020-10-21","18:00:00",""
"4033272","14.315","0.005","14.891","0.005","11.713","0.003","90","","101.631","0.007","90","","2445.5","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Singh, Karandeep; Malviya, Bhanwar Kumar; Roy, Tapta Kanchan; Mithu, Venus Singh; Bhardwaj, Vimal K.; Verma, Ved Prakash; Chimni, Swapandeep Singh; Sharma, Siddharth","Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02123","","","0.71073","MoKα","","0.0701","0.0479","","","0.1333","0.1516","","","","","","0.953","","","","has coordinates","276351","2022-06-28","16:38:26",""
"4033273","22.0109","0.0008","9.054","0.0003","26.4648","0.001","90","","97.775","0.002","90","","5225.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C232 H240 N16 O40 -","8","2","","Singh, Karandeep; Malviya, Bhanwar Kumar; Roy, Tapta Kanchan; Mithu, Venus Singh; Bhardwaj, Vimal K.; Verma, Ved Prakash; Chimni, Swapandeep Singh; Sharma, Siddharth","Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02123","","","0.71073","MoKα","","0.2507","0.0899","","","0.1968","0.2581","","","","","","1.015","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033274","7.6666","0.00001","11.5376","0.00011","14.24527","0.00016","90","","90","","90","","1260.05","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R) N-methyl-3-(4-cyanophenoxy)piperidine","4-((1-methylpiperidin-3-yl)oxy)benzonitrile","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Aricò, Fabio; Aldoshin, Alexander S.; Musolino, Manuele; Crisma, Marco; Tundo, Pietro","β-Aminocarbonates in regioselective and ring expansion reactions.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02609","","","1.54178","CuKα","","0.0369","0.0362","","","0.1047","0.1061","","","","","","1.001","","","","has coordinates","204197","2020-10-21","18:00:00",""
"4033277","8.2569","0.0003","9.8339","0.00016","37.9262","0.0011","90","","90","","90","","3079.51","0.15","109.2","","109.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 O9 -","- C32 H44 O9 -","- C128 H176 O36 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0478","0.045","","","0.1213","0.1244","","","","","","1.056","","","","has coordinates","204223","2020-10-21","18:00:00",""
"4033278","8.37266","0.00019","12.3721","0.0003","28.5539","0.0007","90","","90","","90","","2957.82","0.12","103.5","","103.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O10 -","- C31 H40 O10 -","- C124 H160 O40 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0405","0.0378","","","0.0918","0.0944","","","","","","1.027","","","","has coordinates","204224","2020-10-21","18:00:00",""
"4033279","19.8182","0.0011","5.9878","0.0003","36.1268","0.0017","90","","96.953","0.004","90","","4255.5","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 O -","- C27 H32 O -","- C216 H256 O8 -","8","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","1.54178","CuKα","","0.0905","0.0557","","0.1333","0.12","0.1333","","","","","","1.0052","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033280","13.181","0.003","13.877","0.003","16.365","0.004","101.985","0.007","96.122","0.007","90.289","0.008","2910.3","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H45 B Cl2 F24 O -","- C60 H45 B Cl2 F24 O -","- C120 H90 B2 Cl4 F48 O2 -","2","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","0.71073","MoKα","","0.098","0.0543","","0.1388","0.1175","0.1388","","","","","","0.9414","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033281","9.7072","0.0015","9.9398","0.0016","18.474","0.003","79.874","0.005","83.488","0.005","61.399","0.004","1539.7","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 F6 O7 S2 -","- C29 H32 F6 O7 S2 -","- C58 H64 F12 O14 S4 -","2","1","","Fraser, Craig; Young, Rowan D.","A stable carbocation generated via 2,5-cyclohexadien-1-one protonation.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02668","","","0.71073","MoKα","","0.1399","0.0663","","0.13","0.1086","0.1299","","","","","","0.9972","","","","has coordinates","204265","2020-10-21","18:00:00",""
"4033282","15.6496","0.0001","15.6496","0.0001","28.7595","0.0003","90","","90","","120","","6099.84","0.08","294","2","294.15","","","","","","","","","4","P 65","P 65","170","","","","- C39 H43 N O4 -","- C39 H43 N O4 -","- C234 H258 N6 O24 -","6","1","","Zhang, Zhi-Pei; Xie, Kai-Xue; Yang, Chen; Li, Man; Li, Xin","Asymmetric Synthesis of Dihydrocoumarins through Chiral Phosphoric Acid Catalyzed Cycloannulation of para-Quinone Methides and Azlactones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02750","","x-ray","1.54184","CuKα","","0.0572","0.0542","","","0.1594","0.1636","","","","","","1.083","","","","has coordinates,has disorder","204297","2020-10-21","18:00:00",""
"4033283","6.4362","0.0002","10.8331","0.0004","11.9492","0.0004","99.468","0.003","94.704","0.003","92.002","0.003","818.03","0.05","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.0379","0.0366","","","0.0975","0.0986","","","","","","1.056","","","","has coordinates","204367","2020-10-21","18:00:00",""
"4033284","11.4358","0.0001","13.4434","0.0002","14.1728","0.0001","92.76","0.001","105.302","0.001","112.175","0.001","1919.36","0.04","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C36 H37 Cl6 N2 O P Pd -","- C36 H37 Cl6 N2 O P Pd -","- C72 H74 Cl12 N4 O2 P2 Pd2 -","2","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.052","0.0513","","","0.138","0.1394","","","","","","1.037","","","","has coordinates,has disorder","204368","2020-10-21","18:00:00",""
"4033285","11.3094","0.0001","10.5306","0.0001","17.0804","0.0002","90","","104.561","0.001","90","","1968.85","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","2","","Coomber, Charlotte E.; Benhamou, Laure; Bučar, Dejan-Krešimir; Smith, Peter D.; Porter, Michael J.; Sheppard, Tom David","Silver-Free Palladium Catalyzed C(sp3)-H Arylation of Saturated Bicyclic Amine Scaffolds.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02665","","x-ray","1.54184","CuKα","","0.0453","0.0411","","","0.1109","0.1141","","","","","","0.989","","","","has coordinates","204369","2020-10-21","18:00:00",""
"4033286","9.9842","0.0003","12.356","0.0004","28.8578","0.0009","90","","90","","90","","3560.04","0.19","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","1.54178","CuKα","","0.0777","0.0697","","","0.1513","0.1572","","","","","","1.202","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033287","13.8774","0.0016","14.2945","0.0017","14.3692","0.0017","103.262","0.001","111.374","0.001","97.458","0.001","2511","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O6 S -","- C27 H22 N2 O6 S -","- C108 H88 N8 O24 S4 -","4","2","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","0.71073","MoKα","","0.0556","0.0444","","","0.1235","0.1355","","","","","","0.969","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033288","9.486","0.009","10.99","0.01","23.98","0.02","90","","96.153","0.011","90","","2486","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","0.71073","MoKα","","0.0923","0.0676","","","0.2131","0.2381","","","","","","0.938","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033289","9.1273","0.0004","9.0984","0.0003","13.1203","0.0005","90","","109.613","0.002","90","","1026.35","0.07","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","","0.71073","MoKα","","0.0497","0.0396","","","0.1065","0.1147","","","","","","1.072","","","","has coordinates","204424","2020-10-21","18:00:00",""
"4033290","36.124","0.012","9.409","0.003","14.68","0.004","90","","93.39","0.008","90","","4981","3","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C88 H134 N12 O25 -","- C88 H134 N12 O25 -","- C176 H268 N24 O50 -","2","0.5","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","x-ray","0.71073","MoKα","","0.2605","0.0727","","","0.118","0.164","","","","","","0.929","","","","has coordinates","204424","2020-10-21","18:00:00",""
"4033291","10.2216","0.0005","19.0596","0.0008","14.1017","0.0006","90","","111.156","0.002","90","","2562.1","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H64 Cl3 N4 O12 -","- C47 H64 Cl3 N4 O12 -","- C94 H128 Cl6 N8 O24 -","2","1","","Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02559","","","1.54178","CuKα","","0.0918","0.0832","","","0.2164","0.2247","","","","","","1.025","","","","has coordinates,has disorder","204424","2020-10-21","18:00:00",""
"4033292","8.5396","0.0003","22.9076","0.0009","10.1423","0.0004","90","","110.364","0.001","90","","1860.05","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H26 F3.85 O2 -","- C21 H26 F4 O2 -","- C84 H104 F16 O8 -","4","1","","Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of C2-Symmetric gem-Difluoromethylenated Angular Triquinanes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02777","","x-ray","1.54178","CuKα","K-L~3~","0.0404","0.0398","","","0.0958","0.0962","","","","","","1.062","","","","has coordinates,has disorder","204495","2020-10-21","18:00:00",""
"4033293","5.04","0.004","15.346","0.012","20.856","0.016","90","","90","","90","","1613","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Markad, Shivaji B.; Argade, Narshinha P.","Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02773","","","0.71073","MoKα","","0.3228","0.1026","","","0.1577","0.2271","","","","","","0.932","","","","has coordinates","204496","2020-10-21","18:00:00",""
"4033294","8.026","0.002","15.032","0.004","15.483","0.004","118.732","0.006","95.617","0.007","91.557","0.006","1624.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","2","","Markad, Shivaji B.; Argade, Narshinha P.","Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02773","","","0.71073","MoKα","","0.129","0.1151","","","0.3309","0.3411","","","","","","1.158","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033295","14.4718","0.0007","10.0431","0.0002","23.5998","0.0012","90","","104.043","0.005","90","","3327.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O2 S -","- C19 H14 N2 O2 S -","- C152 H112 N16 O16 S8 -","8","2","","Guo, Yu-Jing; Lu, Shuai; Tian, Lu-Lu; Huang, En-Ling; Hao, Xin-Qi; Zhu, Xinju; Shao, Tian; Song, Mao-Ping","Iodine-Mediated Difunctionalization of Imidazopyridines with Sodium Sulfinates: Synthesis of Sulfones and Sulfides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02734","","x-ray","1.54184","CuKα","","0.0654","0.051","","","0.1367","0.1519","","","","","","1.021","","","","has coordinates","204548","2020-10-21","18:00:00",""
"4033296","8.2076","0.0009","21.487","0.002","11.6395","0.0013","90","","90.207","0.004","90","","2052.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl O5 S -","- C22 H21 Cl O5 S -","- C88 H84 Cl4 O20 S4 -","4","1","","Thangamani, Murugesan; Kannupal, Srinivasan","Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02335","","","0.71073","MoKα","","0.1117","0.0786","","","0.2347","0.2584","","","","","","1.052","","","","has coordinates,has disorder","204572","2020-10-21","18:00:00",""
"4033297","17.832","0.002","11.4226","0.0013","22.574","0.003","90","","100.618","0.004","90","","4519.3","0.9","297","2","297.21","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C47 H43 N2 O14 -","- C47 H43 N2 O14 -","- C188 H172 N8 O56 -","4","1","","Thangamani, Murugesan; Kannupal, Srinivasan","Lewis Acid-Mediated Ring-Opening Reactions of trans-2-Aroyl-3-styryl-cyclopropane-1,1-dicarboxylates: Access to Cyclopentenes and E,E-1,3-Dienes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02335","","","0.71073","MoKα","","0.1508","0.0888","","","0.2426","0.2842","","","","","","1.018","","","","has coordinates,has disorder","204573","2020-10-21","18:00:00",""
"4033298","35.3009","0.0009","6.1173","0.0001","17.1933","0.0004","90","","118.139","0.001","90","","3273.99","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N2 O3 S2 -","- C15 H16 N2 O3 S2 -","- C120 H128 N16 O24 S16 -","8","1","","Chen, Yongtao; Wang, Shuaifeng; Jiang, Qianwen; Cheng, Cungui; Xiao, Xiaohui; Zhu, Gangguo","Palladium-Catalyzed Site-Selective sp3 C-H Bond Thiocyanation of 2-Aminofurans.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02700","","","0.71073","MoKα","","","0.0594","","","0.1387","0.1695","","","","","","1.093","","","","has coordinates","204607","2020-10-21","18:00:00",""
"4033299","12.3768","0.0002","8.25551","0.00015","30.2129","0.0006","90","","98.416","0.007","90","","3053.81","0.11","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N2 -","- C41 H40 N2 -","- C164 H160 N8 -","4","1","","Tateno, Kotaro; Ogawa, Rie; Sakamoto, Ryota; Tsuchiya, Mizuho; Kutsumura, Noriki; Otani, Takashi; Ono, Kosuke; Kawai, Hidetoshi; Saito, Takao","Dibenzopyrrolo[1,2-a][1,8]naphthyridines: Synthesis and Structural Modification of Fluorescent L-Shaped Heteroarenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02674","","","1.54187","CuKα","","0.1035","0.0647","","","0.1554","0.1735","","","","","","1.054","","","","has coordinates","204608","2020-10-21","18:00:00",""
"4033300","17.8601","0.0017","24.785","0.003","9.4639","0.0009","90","","90","","90","","4189.3","0.8","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C20 H27 N O3 S Si -","- C20 H27 N O3 S Si -","- C160 H216 N8 O24 S8 Si8 -","8","1","","Wu, Weiming; Chen, Tianyu; Chen, Junjie; Han, Xiuling","Cationic Palladium(II)-Catalyzed Reductive Cyclization of Alkynyl Cyclohexadienones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02641","","","0.71073","MoKα","","0.035","0.03","","","0.0791","0.084","","","","","","1.047","","","","has coordinates","204610","2020-10-21","18:00:00",""
"4033301","10.4345","0.0009","17.0184","0.0014","17.4029","0.0015","90","","90","","90","","3090.4","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Cl2 N4 O4 P -","- C28 H39 Cl2 N4 O4 P -","- C112 H156 Cl8 N16 O16 P4 -","4","1","","Zhang, Haowei; Yang, Zhen; Zhao, Brian Nlong; Li, Guigen","Group-Assisted Purification (GAP) chemistry for Asymmetric Mannich-type reaction of chiral N-phosphonyl imines with azlactones leading to syntheses of α-quaternary α, β-diamino acid derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02556","","","0.71073","MoKα","","0.1203","0.0531","","","0.0654","0.0739","","","","","","1.017","","","","has coordinates","204611","2020-10-21","18:00:00",""
"4033302","7.2135","0.0003","18.9163","0.0008","7.7262","0.0003","90","","109.331","0.001","90","","994.82","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0447","0.0391","","","0.0921","0.0953","","","","","","1.088","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033303","12.0215","0.0004","13.0351","0.0005","29.9074","0.0011","90","","90","","90","","4686.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C216 H264 N8 O32 -","8","2","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0676","0.0547","","","0.1341","0.1467","","","","","","1.128","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033304","12.8117","0.0006","5.5768","0.0003","12.9121","0.0006","90","","103.001","0.002","90","","898.9","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N O4 -","- C21 H20 F N O4 -","- C42 H40 F2 N2 O8 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0847","0.0455","","","0.076","0.087","","","","","","1.052","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033305","27.9822","0.0005","15.7268","0.0003","30.7786","0.0006","90","","108.175","0.001","90","","12869","0.4","100","2","100.08","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-t-butylPBTz","4-tert-butyl-2,6-bis(triisopropylsilyl)-4H-pyrrolo[2,3-d:5,4-d']bisthiazole","","- C28 H51 N3 S2 Si2 -","- C28 H51 N3 S2 Si2 -","- C448 H816 N48 S32 Si32 -","16","4","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0624","0.0472","","","0.1139","0.1214","","","","","","1.05","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033306","11.4255","0.0009","11.8733","0.0007","9.826","0.0007","90","","107.618","0.006","90","","1270.46","0.16","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","4-t-butyl-PBTz","4-Hexyl-4H-pyrrolo[2,3-d:5,4-d']bisthiazole","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","1","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0616","0.0531","","","0.1368","0.1422","","","","","","1.121","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033307","14.8601","0.0004","17.8661","0.0005","9.988","0.0004","90","","96.505","0.003","90","","2634.66","0.15","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 N3 S2 Si -","- C27 H38 N3 S2 Si -","- C108 H152 N12 S8 Si4 -","4","1","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0854","0.0514","","","0.1234","0.1391","","","","","","1.038","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033308","10.6428","0.0006","14.8657","0.0009","13.7911","0.0008","90","","107.109","0.002","90","","2085.4","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 O4 -","- C27 H22 O4 -","- C108 H88 O16 -","4","1","","Giardinetti, Maxime; Marrot, Jérôme; Greck, Christine; Moreau, Xavier; Coeffard, Vincent","Aminocatalyzed Synthesis of Enantioenriched Phenalene Skeletons through a Friedel-Crafts/Cyclization Strategy.","The Journal of organic chemistry","2018","83","2","1019","1025","10.1021/acs.joc.7b02629","","","0.71073","MoKα","","0.0542","0.0434","","","0.1237","0.1374","","","","","","1.074","","","","has coordinates","227555","2020-10-21","18:00:00",""
"4033309","13.1837","0.0014","7.2636","0.0008","10.4068","0.0011","90","","90","","90","","996.57","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0505","0.0452","","","0.1219","0.128","","","","","","1.058","","","","has coordinates","204740","2020-10-21","18:00:00",""
"4033310","17.9542","0.0008","11.5049","0.0005","7.3428","0.0003","90","","90","","90","","1516.74","0.11","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Sarie, Jérôme C; Thiehoff, Christian; Mudd, Richard J.; Daniliuc, Constantin G.; Kehr, Gerald; Gilmour, Ryan","Deconstructing the Catalytic, Vicinal Difluorination of Alkenes: HF-Free Synthesis and Structural Study of p-TolIF2.","The Journal of organic chemistry","2017","82","22","11792","11798","10.1021/acs.joc.7b01671","","","0.71073","MoKα","","0.0241","0.0197","","","0.0386","0.0399","","","","","","1.044","","","","has coordinates","204741","2020-10-21","18:00:00",""
"4033311","7.8333","0.0001","11.4999","0.0002","11.9889","0.0002","74.5871","0.0008","79.3292","0.0007","84.4982","0.0006","1021.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C44 H46 N2 O12 -","2","1","","Laevens, Benjamin A.; Tao, Jason; Murphy, Graham K.","Iodide-Mediated Synthesis of Spirooxindolo Dihydrofurans from Iodonium Ylides and 3-Alkylidene-2-oxindoles.","The Journal of organic chemistry","2017","82","22","11903","11908","10.1021/acs.joc.7b01639","","","0.71073","MoKα","","0.0541","0.0411","","","0.0792","0.0849","","","","","","1.158","","","","has coordinates","204742","2020-10-21","18:00:00",""
"4033312","8.0597","0.0007","8.0602","0.0007","12.276","0.001","85.354","0.007","76.767","0.007","64.817","0.009","702.4","0.12","291.9","0.3","291.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br F3 N2 O2 -","- C13 H10 Br F3 N2 O2 -","- C26 H20 Br2 F6 N4 O4 -","2","1","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1011","0.0647","","","0.1434","0.1777","","","","","","1.029","","","","has coordinates","204743","2020-10-21","18:00:00",""
"4033313","12.9089","0.0008","24.6306","0.0018","9.2995","0.0008","90","","104.03","0.007","90","","2868.6","0.4","289.53","0.1","289.53","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 N2 O2 -","- C14 H13 F3 N2 O2 -","- C112 H104 F24 N16 O16 -","8","2","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1125","0.0655","","","0.1571","0.1925","","","","","","1.028","","","","has coordinates","204744","2020-10-21","18:00:00",""
"4033314","6.5955","0.0003","10.6686","0.0005","17.0119","0.0012","90","","90.016","0.006","90","","1197.04","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O4 S2 -","- C11 H11 N O4 S2 -","- C44 H44 N4 O16 S8 -","4","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1501","0.0851","","","0.1846","0.2634","","","","","","1.226","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033315","13.4331","0.0004","5.37","0.0002","28.625","0.002","90","","97.81","0.007","90","","2045.73","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O5 S -","- C10 H9 N O5 S -","- C80 H72 N8 O40 S8 -","8","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1351","0.0801","","","0.1347","0.1609","","","","","","1.038","","","","has coordinates,has disorder","204745","2020-10-21","18:00:00",""
"4033316","5.5612","0.0001","14.2627","0.0003","19.1433","0.0013","90","","90","","90","","1518.4","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N O2 P -","- C18 H18 N O2 P -","- C72 H72 N4 O8 P4 -","4","1","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.0402","0.0374","","","0.0912","0.0986","","","","","","1.082","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033317","7.6895","0.0004","12.8374","0.0005","17.1516","0.0006","90","","90","","90","","1693.09","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Levitre, Guillaume; Dumoulin, Audrey; Retailleau, Pascal; Panossian, Armen; Leroux, Frédéric R; Masson, Géraldine","Asymmetric α-Sulfonyl- and α-Phosphoryl-Oxylation of Ketones by a Chiral Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11877","11883","10.1021/acs.joc.7b01597","","x-ray","0.71073","MoKα","","0.0337","0.0265","","","0.0549","0.0571","","","","","","1.068","","","","has coordinates","204746","2020-10-21","18:00:00",""
"4033318","8.5473","0.0002","10.2561","0.0002","12.8964","0.0003","71.289","0.002","71.171","0.002","75.331","0.002","999.24","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl3 N2 O6 S -","- C16 H19 Cl3 N2 O6 S -","- C32 H38 Cl6 N4 O12 S2 -","2","1","","Rey-Rodriguez, Romain; Grelier, Gwendal; Habert, Loïc; Retailleau, Pascal; Darses, Benjamin; Gillaizeau, Isabelle; Dauban, Philippe","Reaction of Ynamides with Iminoiodinane-Derived Nitrenes: Formation of Oxazolones and Polyfunctionalized Oxazolidinones.","The Journal of organic chemistry","2017","82","22","11897","11902","10.1021/acs.joc.7b01623","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0897","0.0961","","","","","","1.053","","","","has coordinates","204747","2020-10-21","18:00:00",""
"4033319","14.2906","0.0007","5.9928","0.0004","22.8149","0.0012","90","","93.389","0.007","90","","1950.47","0.19","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Shimogaki, Mio; Fujita, Morifumi; Sugimura, Takashi","Enantioselective C-C Bond Formation during the Oxidation of 5-Phenylpent-2-enyl Carboxylates with Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11836","11840","10.1021/acs.joc.7b01141","","","0.71075","MoKα","","0.0874","0.0572","","","0.1348","0.1455","","","","","","1.092","","","","has coordinates","204748","2020-10-21","18:00:00",""
"4033320","13.1542","0.0017","5.9354","0.0008","21.289","0.003","90","","99.3213","0.0016","90","","1640.2","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N -","- C21 H14 I N -","- C84 H56 I4 N4 -","4","1","","Sasaki, Teppei; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3-Iodoquinolines from N-Tosyl-2-propynylamines with Diaryliodonium Triflate and N-Iodosuccinimide.","The Journal of organic chemistry","2017","82","22","11727","11734","10.1021/acs.joc.7b01433","","","0.71073","MoKα","","0.0482","0.0322","","","0.0837","0.1133","","","","","","1.139","","","","has coordinates,has disorder","204749","2020-10-21","18:00:00",""
"4033321","8.853","0.001","19.2845","0.0011","8.0635","0.0008","90","","116.194","0.013","90","","1235.3","0.2","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","","Wang, Yuxiang; Wang, Ke-Hu; Su, Yingpeng; Yang, Zheng; Wen, Lan; Liu, Lili; Wang, Juanjuan; Huang, Danfeng; Hu, Yulai","Cascade Oxidation/Halogenoaminocyclization Reaction of Trifluoromethylated Homoallylic N-Acylhydrazines: Metal-free Synthesis of CF<sub>3</sub>-Substituted Pyrazolines.","The Journal of organic chemistry","2018","83","2","939","950","10.1021/acs.joc.7b02934","","x-ray","0.71073","MoKα","","0.1195","0.0637","","","0.1407","0.1843","","","","","","1.042","","","","has coordinates","227558","2020-10-21","18:00:00",""
"4033322","8.741","0.0006","5.5915","0.0004","25.644","0.003","90","","95.471","0.009","90","","1247.65","0.19","295.19","0.1","295.19","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F3 I N2 O2 -","- C10 H8 F3 I N2 O2 -","- C40 H32 F12 I4 N8 O8 -","4","1","","Wang, Yuxiang; Wang, Ke-Hu; Su, Yingpeng; Yang, Zheng; Wen, Lan; Liu, Lili; Wang, Juanjuan; Huang, Danfeng; Hu, Yulai","Cascade Oxidation/Halogenoaminocyclization Reaction of Trifluoromethylated Homoallylic N-Acylhydrazines: Metal-free Synthesis of CF<sub>3</sub>-Substituted Pyrazolines.","The Journal of organic chemistry","2018","83","2","939","950","10.1021/acs.joc.7b02934","","","0.71073","MoKα","","0.0809","0.052","","","0.0891","0.104","","","","","","1.052","","","","has coordinates","227558","2020-10-21","18:00:00",""
"4033323","13.4306","0.0004","15.139","0.0005","17.0352","0.0004","100.24","0.002","110.402","0.003","92.464","0.003","3173.95","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 F12 N4 O16 P2 -","- C60 H74 F12 N4 O16 P2 -","- C120 H148 F24 N8 O32 P4 -","2","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","x-ray","1.54184","CuKα","","0.1377","0.1165","","","0.3404","0.3822","","","","","","1.48","","","","has coordinates,has disorder","227559","2020-10-21","18:00:00",""
"4033324","10.7404","0.0005","18.6914","0.001","26.8438","0.0014","90","","90","","90","","5389","0.5","218","2","218.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65 F6 N2 O15 P S -","- C49 H65 F6 N2 O15 P S -","- C196 H260 F24 N8 O60 P4 S4 -","4","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","","0.71073","MoKα","","0.1818","0.1379","","","0.274","0.2986","","","","","","1.098","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4033325","11.2302","0.0013","9.7297","0.0011","21.768","0.002","90","","97.322","0.009","90","","2359.1","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C46 H58 F6 N2 O17 -","- C46 H58 F6 N2 O17 -","- C92 H116 F12 N4 O34 -","2","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","x-ray","0.71073","MoKα","","0.0684","0.0503","","","0.0829","0.0906","","","","","","1.053","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4033326","7.4167","0.0003","10.5318","0.0005","13.811","0.0006","99.828","0.002","102.136","0.001","93.865","0.002","1033.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AMUS127","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C40 H60 N4 O10 -","2","1","","Music, Arif; Baumann, Andreas N.; Eisold, Michael; Didier, Dorian","Regiodivergent Stereoselective Access to Fused Alkylideneazetidines.","The Journal of organic chemistry","2018","83","2","783","792","10.1021/acs.joc.7b02786","","","0.71073","MoKα","","0.0583","0.0408","","","0.0874","0.0984","","","","","","1.037","","","","has coordinates","227563","2020-10-21","18:00:00",""
"4033327","9.815","0.002","10.37","0.002","19.071","0.004","90","","90","","90","","1941.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O6 S -","- C18 H20 N2 O6 S -","- C72 H80 N8 O24 S4 -","4","1","","Lu, Ning; Fang, Yanhong; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Bifunctional Thiourea-Ammonium Salt Catalysts Derived from Cinchona Alkaloids: Cooperative Phase-Transfer Catalysts in the Enantioselective Aza-Henry Reaction of Ketimines.","The Journal of organic chemistry","2018","83","3","1486","1492","10.1021/acs.joc.7b03078","","","0.71073","MoKα","","0.0782","0.0531","","","0.0957","0.103","","","","","","1.013","","","","has coordinates,has disorder","227613","2020-10-21","18:00:00",""
"4033328","12.3293","0.0006","3.9877","0.0002","26.5458","0.0016","90","","90","","90","","1305.14","0.12","293","2","293","2","","","","","","","Synthesis","4","P c a 21","P 2c -2ac","29","","Unkown","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Sau, Prasenjit; Rakshit, Amitava; Modi, Anju; Behera, Ahalya; Patel, Bhisma K.","Three Sequential C-N Bond Formations: tert-Butyl Nitrite as a N1 Synthon in a Three Component Reaction Leading to Imidazo[1,2-a]quinolines and Imidazo[2,1-a]isoquinolines.","The Journal of organic chemistry","2018","83","2","1056","1064","10.1021/acs.joc.7b02815","","x-ray","0.71073","MoKα","","0.0444","0.0344","","","0.0725","0.0821","","","","","","1.093","","","","has coordinates","227560","2020-10-21","18:00:00",""
"4033329","6.1091","0.0003","9.5133","0.0004","22.6063","0.0009","90","","90","","90","","1313.83","0.1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0692","0.0686","","","0.1811","0.1823","","","","","","1.059","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4033330","31.5874","0.0009","5.4964","0.0001","14.967","0.0004","90","","90.211","0.002","90","","2598.51","0.11","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O3 -","- C15 H17.5 O3 -","- C120 H140 O24 -","8","2","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0841","0.0834","","","0.1952","0.1966","","","","","","1.122","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4033331","9.2188","0.0001","10.6982","0.0002","19.9113","0.0003","90","","101.668","0.001","90","","1923.16","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","2","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0407","0.0385","","","0.1024","0.1048","","","","","","1.033","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033332","6.1442","0.0001","11.1047","0.0001","13.2427","0.0001","90","","91.632","0.001","90","","903.176","0.018","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0346","0.0339","","","0.09","0.0907","","","","","","1.064","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033333","12.6869","0.0003","37.5546","0.0012","11.2665","0.0003","90","","104.367","0.002","90","","5200.1","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C58 H50 Cl6 N2 O6 -","- C58 H50 Cl6 N2 O6 -","- C232 H200 Cl24 N8 O24 -","4","1","","Takahashi, Masaki; Asaba, Kyohei; Lua, Trinh Thi; Inuzuka, Toshiyasu; Uemura, Naohiro; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Controllable Monobromination of Perylene Ring System: Synthesis of Bay-Functionalized Perylene Dyes.","The Journal of organic chemistry","2018","83","2","624","631","10.1021/acs.joc.7b02540","","","1.54178","CuKα","","0.0981","0.0947","","","0.2709","0.2773","","","","","","1.323","","","","has coordinates,has disorder","227556","2020-10-21","18:00:00",""
"4033334","13.6507","0.0004","8.6189","0.0003","17.2043","0.0012","90","","106.742","0.007","90","","1938.35","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 -","- C25 H28 N2 -","- C100 H112 N8 -","4","1","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","1.54187","CuKα","","0.0616","0.0448","","","0.1281","0.1471","","","","","","1.205","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033335","6.9339","0.0004","16.3197","0.001","17.014","0.0012","90","","90","","90","","1925.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","1.54187","CuKα","","0.0566","0.035","","","0.0832","0.1078","","","","","","1.127","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033336","11.863","0.0008","13.9407","0.001","20.039","0.0014","90","","93.379","0.004","90","","3308.3","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C160 H192 N16 O8 -","8","2","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","0.71075","MoKα","","0.0809","0.0479","","","0.1006","0.1194","","","","","","1.067","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033337","14.5912","0.0007","8.463","0.0004","14.9815","0.0009","90","","103.38","0.005","90","","1799.78","0.17","290.84","0.1","290.84","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.0858","0.0564","","","0.1279","0.1507","","","","","","1.038","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033338","10.3697","0.0019","8.9","0.002","40.651","0.007","90","","94.374","0.018","90","","3740.8","1.3","289.48","0.1","289.48","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br N O4 -","- C18 H22 Br N O4 -","- C144 H176 Br8 N8 O32 -","8","2","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.2069","0.068","","","0.1175","0.1753","","","","","","0.956","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033339","16.8558","0.0011","8.0593","0.0005","29.356","0.002","90","","105.478","0.007","90","","3843.3","0.5","289.23","0.13","289.23","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.1125","0.0643","","","0.1273","0.1527","","","","","","1.069","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033340","8.5277","0.0006","28.377","0.002","8.7497","0.0006","90","","108.934","0.007","90","","2002.8","0.3","294.89","0.1","294.89","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.0891","0.0588","","","0.1314","0.1519","","","","","","1.049","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033341","12.9678","0.0015","8.4769","0.001","16.4475","0.0019","90","","98.602","0.004","90","","1787.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Chaudhari, Moreshwar B.; Moorthy, Suresh; Patil, Sohan; Bisht, Girish Singh; Mohamed, Haneef; Basu, Sudipta; Gnanaprakasam, Boopathy","Iron-Catalyzed Batch/Continuous Flow C-H Functionalization Module for the Synthesis of Anticancer Peroxides.","The Journal of organic chemistry","2018","83","3","1358","1368","10.1021/acs.joc.7b02854","","","0.71073","MoKα","","0.061","0.0364","","","0.0733","0.0808","","","","","","1.027","","","","has coordinates","227608","2020-10-21","18:00:00",""
"4033342","10.5837","0.0013","10.5837","0.0013","52.904","0.003","90","","90","","90","","5926","1.1","103","","103","","","","","","","","Extracted from the bark of Laetia corymbulosa","3","P 43 21 2","P 4nw 2abw","96","","18,19-di-O-acetyl-18,19-epoxy-6-hydroxy-2-(2?-methylbutanoyloxy)cleroda-3,13(16),14-triene","","- C29 H42 O8 -","- C29 H42 O8 -","- C232 H336 O64 -","8","1","","Aimaiti, Simayijiang; Suzuki, Airi; Saito, Yohei; Fukuyoshi, Shuichi; Goto, Masuo; Miyake, Katsunori; Newman, David J.; O'Keefe, Barry R; Lee, Kuo-Hsiung; Nakagawa-Goto, Kyoko","Corymbulosins I-W, Cytotoxic Clerodane Diterpenes from the Bark of Laetia corymbulosa.","The Journal of organic chemistry","2018","83","2","951","963","10.1021/acs.joc.7b02951","","x-ray","0.71075","MoKα","","0.0771","0.0617","","","0.1689","0.1827","","","","","","1.044","","","","has coordinates","227553","2020-10-21","18:00:00",""
"4033343","8.509","0.007","9.549","0.008","13.264","0.011","76.7","0.05","71.35","0.05","68.51","0.05","942.3","1.4","100","2","99.98","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H36 Cl1.64 -","- C50 H36 Cl1.638 -","- C50 H36 Cl1.638 -","1","0.5","","Grenz, David C.; Schmidt, Maximilian; Kratzert, Daniel; Esser, Birgit","Dibenzo[a,e]pentalenes with Low-Lying LUMO Energy Levels as Potential n-Type Materials.","The Journal of organic chemistry","2018","83","2","656","663","10.1021/acs.joc.7b02250","","x-ray","0.71073","MoKα","","0.0801","0.0536","","","0.129","0.1403","","","","","","1.032","","","","has coordinates","227557","2020-10-21","18:00:00",""
"4033344","9.3211","0.0014","10.6406","0.0014","29.994","0.004","90","","90","","90","","2974.9","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F3 O6 S -","- C30 H29 F3 O6 S -","- C120 H116 F12 O24 S4 -","4","1","","Ha, Min Woo; Lee, Jun Young; Kim, Doyoung; Lee, Geumwoo; Lee, Jae Kyun; Hong, Suckchang; Park, Hyeung-Geun","Enantioselective Synthesis of Chiral α-Thio-Quaternary Stereogenic Centers via Phase-Transfer-Catalyzed α-Alkylation of α-Acylthiomalonates.","The Journal of organic chemistry","2018","83","2","1011","1018","10.1021/acs.joc.7b02605","","","0.71075","MoKα","","","0.0548","","","","0.1306","","","","","","1.023","","","","has coordinates","227562","2020-10-21","18:00:00",""
"4033345","10.286","0.002","13.899","0.005","33.15","0.02","90","","90","","90","","4739","3","80","2","80","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","MFA-MA-148_80K","","- C48 H57 Cl2 N3 O10 -","- C48 H57 Cl2 N3 O10 -","- C192 H228 Cl8 N12 O40 -","4","1","","Meng, Zhanchao; Souillart, Laetitia; Monks, Brendan; Huwyler, Nikolas; Herrmann, Jennifer; Müller, Rolf; Fürstner, Alois","A ""Motif-Oriented"" Total Synthesis of Nannocystin Ax. Preparation and Biological Assessment of Analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02871","","","0.5636","synchrotron","","0.0587","0.0462","","","0.1183","0.1261","","","","","","1.091","","","","has coordinates","205050","2020-10-21","18:00:00",""
"4033346","6.2637","0.0003","7.166","0.0004","29.5658","0.0013","90","","90","","90","","1327.08","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C56 H56 Cl4 N12 O4 -","4","1","","Bhagat, Ujjawal Kumar; Peddinti, Rama Krishna","Asymmetric Organocatalytic Approach to 2,4-Disubstituted 1,2,3-Triazoles by N2-Selective Aza-Michael Addition.","The Journal of organic chemistry","2018","83","2","793","804","10.1021/acs.joc.7b02793","","","0.71073","MoKα","","0.058","0.0446","","","0.1056","0.112","","","","","","1.029","","","","has coordinates","227567","2020-10-21","18:00:00",""
"4033347","16.6532","0.0003","21.5744","0.0004","6.152","0.0001","90","","90","","90","","2210.31","0.07","301","2","301.02","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H24 F N O -","- C28 H24 F N O -","- C112 H96 F4 N4 O4 -","4","1","","Li, Lin-Zhi; Wang, Cong-Shuai; Guo, Wei-Feng; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric [4+2] Cycloaddition of in Situ Generated o-Quinone Methide Imines with o-Hydroxystyrenes: Diastereo- and Enantioselective Construction of Tetrahydroquinoline Frameworks.","The Journal of organic chemistry","2018","83","2","614","623","10.1021/acs.joc.7b02533","","","1.54178","CuKα","","0.0441","0.0409","","","0.1044","0.1088","","","","","","1.052","","","","has coordinates","227569","2020-10-21","18:00:00",""
"4033348","11.4286","0.0002","15.351","0.0003","11.4973","0.0002","90","","91.214","0.001","90","","2016.64","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0834","0.0585","","","0.1293","0.1453","","","","","","1.043","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033349","9.4636","0.0001","9.3031","0.0001","12.0391","0.0002","90","","112.321","0.001","90","","980.51","0.02","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H26 O7 -","- C20 H26 O7 -","- C40 H52 O14 -","2","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0487","0.0436","","","0.1102","0.1128","","","","","","1.068","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033350","11.5191","0.0001","12.9907","0.0002","15.3601","0.0002","90","","95.0515","0.0006","90","","2289.58","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0635","0.0509","","","0.1396","0.1484","","","","","","1.045","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033351","6.1668","0.0003","20.6407","0.001","13.3138","0.0007","90","","97.77","0.002","90","","1679.12","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O7 S -","- C15 H19 N O7 S -","- C60 H76 N4 O28 S4 -","4","1","","Han, Teng; Wang, Yu; Li, Hong-Liang; Luo, Xiaoyan; Deng, Wei-Ping","Synthesis of Polysubstituted 3-Aminothiophenes from Thioamides and Allenes via Tandem Thio-Michael Addition/Oxidative Annulation and 1,2-Sulfur Migration.","The Journal of organic chemistry","2018","83","3","1538","1542","10.1021/acs.joc.7b02616","","","0.71073","MoKα","","0.0704","0.0516","","","0.1262","0.1398","","","","","","1.067","","","","has coordinates","227611","2020-10-21","18:00:00",""
"4033360","11.7312","0.0003","13.2225","0.0004","14.0726","0.0004","90","","98.412","0.001","90","","2159.4","0.11","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl2 N2 O3 -","- C25 H20 Cl2 N2 O3 -","- C100 H80 Cl8 N8 O12 -","4","1","","Feng, Chengjie; Li, Yifei; Xu, Qi; Pan, Ling; Liu, Qun; Xu, Xianxiu","Triple Nucleophilic Attack of Nitromethane on (2-Iminoaryl)divinyl Ketones: A Domino Synthetic Strategy for Hexahydrophenanthridinones.","The Journal of organic chemistry","2018","83","3","1232","1240","10.1021/acs.joc.7b02759","","","0.71073","MoKα","","0.0623","0.0474","","","0.1147","0.126","","","","","","1.021","","","","has coordinates","227612","2020-10-21","18:00:00",""
"4033361","9.8527","0.0003","13.2507","0.0004","13.5893","0.0005","90","","106.832","0.004","90","","1698.14","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 F3 I N O3 -","- C16 H17 F3 I N O3 -","- C64 H68 F12 I4 N4 O12 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.068","0.0515","","","0.1433","0.1559","","","","","","1.098","","","","has coordinates","227616","2020-10-21","18:00:00",""
"4033362","7.3724","0.0015","7.3724","0.0015","20.222","0.007","90","","90","","90","","1099.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N S -","- C10 H14 Cl N S -","- C40 H56 Cl4 N4 S4 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.1598","0.0638","","","0.1145","0.1465","","","","","","0.821","","","","has coordinates,has disorder","227616","2020-10-21","18:00:00",""
"4033363","11.1849","0.0004","7.5306","0.0003","13.9062","0.0006","90","","107.21","0.004","90","","1118.86","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C48 H64 Cl4 N4 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.0596","0.0426","","","0.1104","0.1287","","","","","","1.145","","","","has coordinates","227616","2020-10-21","18:00:00",""
"4033364","5.5875","0.0007","10.408","0.0014","20.927","0.003","90","","90","","90","","1217","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 B F N O2 -","- C15 H11 B F N O2 -","- C60 H44 B4 F4 N4 O8 -","4","1","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Catalyzed C3-Selective C-H Borylation of Indoles: Synthesis, Intermediates, and Reaction Mechanism.","The Journal of organic chemistry","2018","83","3","1377","1386","10.1021/acs.joc.7b02886","","","0.71073","MoKα","","0.0769","0.0489","","","0.0883","0.0965","","","","","","1.026","","","","has coordinates","227618","2020-10-21","18:00:00",""
"4033365","8.93629","0.00017","9.87328","0.00019","12.3144","0.0002","78.986","0.006","84.693","0.006","84.898","0.006","1059.09","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0407","0.0374","","","0.0961","0.0982","","","","","","1.039","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033366","9.87309","0.00018","22.3816","0.0004","19.1033","0.0004","90","","101.571","0.007","90","","4135.57","0.17","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","2","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0526","0.043","","","0.1013","0.1058","","","","","","1.044","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033367","15.9811","0.0003","5.46871","0.00012","18.4598","0.0004","90","","99.761","0.007","90","","1589.96","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","1","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0525","0.0493","","","0.1233","0.1252","","","","","","1.111","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033368","10.726","0.0002","17.103","0.0003","17.9943","0.0003","69.762","0.005","72.864","0.005","75.943","0.005","2922.91","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","4","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0702","0.0517","","","0.1329","0.1433","","","","","","1.027","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033369","11.9912","0.0004","15.1577","0.0004","18.4186","0.0004","85.439","0.002","72.928","0.002","67.853","0.003","2962.28","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H50 N2 S4 -","- C68 H50 N2 S4 -","- C136 H100 N4 S8 -","2","1","","Kumar, Sunit; Rajeswara Rao, Malakalapalli; Ravikanth, Mangalampalli","Stable Core-Modified Doubly N-Fused Expanded Dibenziporphyrinoids.","The Journal of organic chemistry","2018","83","3","1584","1590","10.1021/acs.joc.7b02851","","x-ray","0.71073","MoKα","","0.0925","0.0738","","","0.2256","0.2557","","","","","","1.087","","","","has coordinates","227622","2020-10-21","18:00:00",""
"4033370","12.7437","0.0007","13.6334","0.0006","17.2038","0.001","110.13","0.005","95.529","0.005","96.18","0.004","2761.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H46 N2 S4 -","- C68 H46 N2 S4 -","- C136 H92 N4 S8 -","2","1","","Kumar, Sunit; Rajeswara Rao, Malakalapalli; Ravikanth, Mangalampalli","Stable Core-Modified Doubly N-Fused Expanded Dibenziporphyrinoids.","The Journal of organic chemistry","2018","83","3","1584","1590","10.1021/acs.joc.7b02851","","x-ray","1.54184","CuKα","","0.1025","0.0766","","","0.199","0.2306","","","","","","1.049","","","","has coordinates","227622","2020-10-21","18:00:00",""
"4033371","7.451","0.0015","10.958","0.002","15.857","0.005","90","","99.33","0.03","90","","1277.6","0.5","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Br O4 Si -","- C25 H30 Br O4 Si -","- C50 H60 Br2 O8 Si2 -","2","1","","Han, Man-Yi; Luan, Wen-Yu; Mai, Pei-Lin; Li, Pinhua; Wang, Lei","Organocatalytic Asymmetric Vinylogous Aldol Reaction of Allyl Aryl Ketones to Silyl Glyoxylates.","The Journal of organic chemistry","2018","83","3","1518","1524","10.1021/acs.joc.7b02546","","","0.71073","MoKα","","0.0973","0.0439","","","0.0781","0.0931","","","","","","1.018","","","","has coordinates","227626","2020-10-21","18:00:00",""
"4033372","9.5218","0.0005","11.0694","0.0006","11.599","0.0006","90","","90","","90","","1222.54","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C44 H60 N4 O24 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0439","0.0367","","","0.1055","0.1159","","","","","","0.643","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033373","8.6117","0.0004","8.6517","0.0004","18.1435","0.0009","90","","90","","90","","1351.8","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0401","0.0316","","","0.0743","0.0773","","","","","","1.066","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033374","4.798","0.0008","5.6534","0.0011","19.038","0.003","90","","90","","90","","516.41","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 Cl N2 O -","- C4 H3 Cl N2 O -","- C16 H12 Cl4 N8 O4 -","4","1","","Frei, Przemyslaw; Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Johnston, Blair F.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Reaction of Heterocyclic N-Oxides, an Acyl Chloride, and Cyclic Thioethers.","The Journal of organic chemistry","2018","83","3","1510","1517","10.1021/acs.joc.7b02457","","","0.71073","MoKα","","0.0321","0.0294","","","0.0672","0.0703","","","","","","1.076","","","","has coordinates","227606","2020-10-21","18:00:00",""
"4033375","7.5222","0.0004","11.809","0.0005","12.1927","0.0008","110.612","0.005","93.489","0.004","108.376","0.004","943.88","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 B F2 N4 O S -","- C20 H21 B F2 N4 O S -","- C40 H42 B2 F4 N8 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.5418","CuKα","","0.0519","0.0479","","","0.1321","0.135","","","","","","1.015","","","","has coordinates","227617","2020-10-21","18:00:00",""
"4033376","7.0645","0.0003","21.7182","0.0008","12.3999","0.0005","90","","99.231","0.004","90","","1877.86","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B Cl2 F2 N3 O3 S -","- C16 H18 B Cl2 F2 N3 O3 S -","- C64 H72 B4 Cl8 F8 N12 O12 S4 -","4","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.54184","CuKα","","0.1419","0.1373","","","0.4048","0.4125","","","","","","1.998","","","","has coordinates,has disorder","227617","2020-10-21","18:00:00",""
"4033377","14.401","0.002","11.8913","0.0016","7.4972","0.0009","90","","100.997","0.014","90","","1260.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B F2 N3 O S -","- C9 H7 B F2 N3 O S -","- C36 H28 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.54184","CuKα","","0.3326","0.3209","","","0.7044","0.7156","","","","","","3.524","","","","has coordinates,has disorder","227617","2020-10-21","18:00:00",""
"4033378","8.3172","0.0005","8.4816","0.0005","13.2812","0.0007","81.18","0.004","73.554","0.005","72.89","0.005","856.29","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 B F2 N3 O S -","- C18 H16 B F2 N3 O S -","- C36 H32 B2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","0.71073","MoKα","","0.0426","0.0359","","","0.0895","0.0939","","","","","","1.043","","","","has coordinates","227617","2020-10-21","18:00:00",""
"4033379","5.9352","0.0002","23.5259","0.0008","12.1916","0.0004","90","","92.872","0.002","90","","1700.19","0.1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N O2 S -","- C19 H16 Br N O2 S -","- C76 H64 Br4 N4 O8 S4 -","4","1","","Maiti, Saikat; Mal, Prasenjit","Soft-Hard Acid/Base-Controlled, Oxidative, N-Selective Arylation of Sulfonanilides via a Nitrenium Ion.","The Journal of organic chemistry","2018","83","3","1340","1347","10.1021/acs.joc.7b02841","","","0.71073","MoKα","","0.0444","0.0329","","","0.0787","0.0834","","","","","","1.04","","","","has coordinates","227634","2020-10-21","18:00:00",""
"4033380","12.9992","0.0018","7.6753","0.0011","14.812","0.002","90","","106.361","0.003","90","","1418","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 S2 -","- C34 H28 O4 S2 -","- C68 H56 O8 S4 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0754","0.055","","","0.1143","0.1242","","","","","","1.052","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033381","13.8138","0.0014","10.2034","0.001","17.2024","0.0018","90","","91.6","0.002","90","","2423.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br2 O4 -","- C26 H22 Br2 O4 -","- C104 H88 Br8 O16 -","4","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0798","0.0409","","","0.0848","0.1015","","","","","","1.032","","","","has coordinates","227604","2020-10-21","18:00:00",""
"4033382","9.3284","0.0012","9.7566","0.0012","11.8026","0.0015","74.214","0.002","73.175","0.002","79.296","0.002","982.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Br N O2 S -","- C22 H16 Br N O2 S -","- C44 H32 Br2 N2 O4 S2 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0569","0.0361","","","0.0813","0.0915","","","","","","1.021","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033383","9.7897","0.0012","11.1406","0.0014","13.5075","0.0017","106.467","0.002","92.086","0.002","95.017","0.002","1404.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 O4 -","- C36 H28 O4 -","- C72 H56 O8 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0602","0.0389","","","0.1003","0.1174","","","","","","1","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033384","6.6837","0.0018","16.25","0.005","16.626","0.004","97.272","0.005","95.356","0.006","100.408","0.005","1749.2","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 O9 S -","- C33 H34 O9 S -","- C66 H68 O18 S2 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.1191","0.0641","","","0.1634","0.1871","","","","","","1.086","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033385","8.121","0.0003","8.6165","0.0004","10.0149","0.0004","81.117","0.004","89.625","0.003","79.854","0.004","681.4","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C34 H32 N4 -","2","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.049","0.0441","","","0.1209","0.1279","","","","","","1.039","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033386","8.07903","0.00012","9.7385","0.0003","10.0265","0.0003","118.285","0.003","93.0114","0.0017","90.1807","0.0017","693.36","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C32 H26 N6 O4 -","2","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.0472","0.0449","","","0.1256","0.1294","","","","","","1.059","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033387","14.00669","0.00015","7.22338","0.00007","17.8197","0.00018","90","","107.809","0.0011","90","","1716.53","0.03","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl2 N3 O2 -","- C16 H19 Cl2 N3 O2 -","- C64 H76 Cl8 N12 O8 -","4","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.0543","0.0525","","","0.1552","0.1581","","","","","","1.038","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033388","7.8941","0.0005","8.2666","0.0005","11.9759","0.0008","85.227","0.002","77.959","0.002","78.541","0.002","748.37","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3S,3'S)-3-fluoro-3'-hydroxy-1,1'-dimethyl-[3,3'-biindoline]-2,2'-dione","","- C18 H15 F N2 O3 -","- C18 H15 F N2 O3 -","- C36 H30 F2 N4 O6 -","2","1","","Moskowitz, Max; Balaraman, Kaluvu; Wolf, Christian","Organocatalytic Stereoselective Synthesis of Fluorinated 3,3'-Linked Bisoxindoles.","The Journal of organic chemistry","2018","83","3","1661","1666","10.1021/acs.joc.7b03084","","x-ray","0.71073","MoKα","","0.0511","0.0411","","","0.147","0.1561","","","","","","1.274","","","","has coordinates","227615","2020-10-21","18:00:00",""
"4033389","13.3482","0.0016","13.659","0.0012","29.429","0.003","90","","90.949","0.011","90","","5364.8","1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H66 N6 O3 S3 -","- C45 H54 N6 S3 -","- C180 H216 N24 S12 -","4","2","","Prusinowska, Natalia; Szymkowiak, Joanna; Kwit, Marcin","Enantiopure Tertiary Urea and Thiourea Derivatives of Trianglamine Macrocycle: Structural Studies and Metallogeling Properties.","The Journal of organic chemistry","2018","83","3","1167","1175","10.1021/acs.joc.7b02600","","","0.71073","MoKα","","0.1204","0.0961","","","0.2243","0.2389","","","","","","1.083","","","","has coordinates","227630","2020-10-21","18:00:00",""
"4033390","6.464","0.0007","13.667","0.002","20.093","0.003","90","","90","","90","","1775.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 O2 P S -","- C22 H15 O2 P S -","- C88 H60 O8 P4 S4 -","4","1","","Zhang, Xinghua; Wang, Dungai; An, Duo; Han, Boshi; Song, Xiang; Li, Liang; Zhang, Gaoqi; Wang, Lixian","Cu(II)/Proline-Catalyzed Reductive Coupling of Sulfuryl Chloride and P(O)-H for P-S-C Bond Formation.","The Journal of organic chemistry","2018","83","3","1532","1537","10.1021/acs.joc.7b02608","","","0.71073","MoKα","","0.1255","0.0678","","","0.1486","0.1886","","","","","","0.854","","","","has coordinates","227624","2020-10-21","18:00:00",""
"4033391","11.4107","0.0002","25.3076","0.0005","16.8452","0.0002","90","","91.88","0.001","90","","4861.9","0.14","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 I N11 O6 -","- C48 H58 I N11 O6 -","- C192 H232 I4 N44 O24 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0462","0.0365","","","0.0902","0.0956","","","","","","1.029","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033392","11.713","0.003","12.688","0.004","21.381","0.006","100.163","0.004","92.151","0.005","96.439","0.005","3102.6","1.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C118 H156 N22 O23 S6 -","- C118 H156 N22 O23 S6 -","- C118 H156 N22 O23 S6 -","1","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1027","0.0862","","","0.2086","0.2203","","","","","","1.145","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033393","11.457","0.002","25.191","0.004","17.26","0.003","90","","93.295","0.002","90","","4973.2","1.5","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Cl N11 O10 -","- C48 H58 Cl N11 O10 -","- C192 H232 Cl4 N44 O40 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0836","0.0724","","","0.1651","0.1729","","","","","","1.13","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033394","10.8041","0.0003","10.8766","0.0003","13.6547","0.0003","99.39","0.002","98.697","0.002","97.182","0.002","1546.34","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N9 O3.5 S3 -","- C32 H24 N9 O3.5 S3 -","- C64 H48 N18 O7 S6 -","2","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0476","0.0401","","","0.0996","0.1061","","","","","","1.037","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033395","11.2331","0.0017","25.605","0.004","16.613","0.002","90","","90.118","0.003","90","","4778.3","1.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Br N11 O6 -","- C48 H58 Br N11 O6 -","- C192 H232 Br4 N44 O24 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0847","0.0696","","","0.1514","0.1602","","","","","","1.135","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033396","10.748","0.002","10.876","0.002","12.884","0.003","114.14","0.03","95.19","0.03","99.31","0.03","1335.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 B2 F8 N12 O6 -","- C48 H62 B2 F8 N12 O6 -","- C48 H62 B2 F8 N12 O6 -","1","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0554","0.0501","","","0.1173","0.1214","","","","","","1.079","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033397","13.1038","0.0008","13.0388","0.0007","14.9738","0.0008","90","","92.849","0.005","90","","2555.2","0.2","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H31.69 N7 O6.34 -","- C24 H31.688 N7 O6.344 -","- C96 H126.752 N28 O25.376 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.15","0.0759","","","0.1926","0.2308","","","","","","1.018","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033398","11.209","0.003","25.782","0.007","17.261","0.005","90","","92.59","0.005","90","","4983","2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H58 N12 O6 S -","- C49 H58 N12 O6 S -","- C196 H232 N48 O24 S4 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1039","0.0929","","","0.2148","0.2214","","","","","","1.209","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033399","12.2074","0.0007","15.747","0.0008","10.7007","0.0006","90","","110.957","0.007","90","","1920.9","0.2","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N12 O8 -","- C38 H36 N12 O8 -","- C76 H72 N24 O16 -","2","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.107","0.0591","","","0.1326","0.1563","","","","","","1.022","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033402","6.3017","0.0003","11.7387","0.0005","14.4","0.0006","90","","90","","90","","1065.22","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Krout, Michael R.; Henry, Christopher E.; Jensen, Thomas; Wu, Kun-Liang; Virgil, Scott C.; Stoltz, Brian M.","Wolff/Cope Approach to the AB Ring of the Sesterterpenoid Variecolin.","The Journal of organic chemistry","2018","83","13","6995","7009","10.1021/acs.joc.7b02972","","","0.71073","MoKα","","0.0301","0.0286","","","0.074","0.0744","","","","","","1.899","","","","has coordinates","227583","2020-10-21","18:00:00",""
"4033403","6.5854","0.0002","16.3469","0.0005","17.4873","0.0004","90","","90","","90","","1882.52","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0373","0.0319","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033404","19.6068","0.0004","11.6765","0.0003","19.545","0.0004","90","","90","","90","","4474.61","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C43 H56 Cl2 N6 O10 -","- C43 H56 Cl2 N6 O10 -","- C172 H224 Cl8 N24 O40 -","4","0.5","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0573","0.0417","","","0.0989","0.1099","","","","","","1.032","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033405","10.826","0.0004","10.8361","0.0004","18.793","0.0006","90","","90","","90","","2204.64","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C88 H116 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0745","0.0421","","","0.0886","0.1017","","","","","","1.089","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033406","4.9774","0.0002","12.0515","0.0005","15.8253","0.0007","90","","90","","90","","949.28","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ilie109","","","- C10 H9 I O2 -","- C10 H9 I O2 -","- C40 H36 I4 O8 -","4","1","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0124","0.0119","","","0.0278","0.028","","","","","","1.065","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033407","19.0529","0.0009","6.5875","0.0003","15.1398","0.0008","90","","103.068","0.001","90","","1851","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ilie75","","","- C10 H9 I O -","- C10 H9 I O -","- C80 H72 I8 O8 -","8","1","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0153","0.015","","","0.0365","0.0367","","","","","","1.213","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033408","6.807","0.0006","12.0906","0.001","13.8845","0.0011","67.8","0.002","83.447","0.003","73.949","0.003","1016.69","0.15","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","4","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0681","0.0572","","","0.1478","0.1542","","","","","","1.078","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033409","10.046","0.003","10.897","0.003","20.397","0.006","90","","97.917","0.014","90","","2211.6","1.1","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C108 H120 O8 -","4","1","","Mei, Guang-Jian; Xu, Shao-Li; Zheng, Wen-Qin; Bian, Chen-Yu; Shi, Feng","[4 + 2] Cyclization of para-Quinone Methide Derivatives with Alkynes.","The Journal of organic chemistry","2018","83","3","1414","1421","10.1021/acs.joc.7b02942","","","0.71073","MoKα","","0.1221","0.0646","","","0.1656","0.1917","","","","","","0.926","","","","has coordinates","227619","2020-10-21","18:00:00",""
"4033410","16.1179","0.0013","17.738","0.0014","9.6044","0.0007","90","","105.471","0.001","90","","2646.4","0.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Br O3 -","- C30 H31 Br O3 -","- C120 H124 Br4 O12 -","4","1","","Mei, Guang-Jian; Xu, Shao-Li; Zheng, Wen-Qin; Bian, Chen-Yu; Shi, Feng","[4 + 2] Cyclization of para-Quinone Methide Derivatives with Alkynes.","The Journal of organic chemistry","2018","83","3","1414","1421","10.1021/acs.joc.7b02942","","","0.71073","MoKα","","0.0504","0.037","","","0.0907","0.0971","","","","","","1.026","","","","has coordinates","227619","2020-10-21","18:00:00",""
"4033411","11.2487","0.0009","16.8165","0.0014","19.3106","0.0016","90","","90","","90","","3652.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 B2 F8 O2 P2 -","- C34 H42 B2 F8 O2 P2 -","- C136 H168 B8 F32 O8 P8 -","4","1","","Sieber, Joshua D.; Rodriguez, Sonia; Frutos, Rogelio; Buono, Frederic; Zhang, Yongda; Li, Ning; Qu, Bo; Premasiri, Ajith; Li, Zhibin; Han, Zhengxu S.; Xu, Yibo; Byrne, Denis; Haddad, Nizar; Lorenz, Jon; Grinberg, Nelu; Kurouski, Dmitry; Lee, Heewon; Narayanan, Bikshandarkoil; Nummy, Laurence; Mulder, Jason; Brown, Jack D.; Granger, Alice; Gao, Joe; Krawiec, Mariusz; Williams, Zeena; Pennino, Scott; Song, Jinhua J.; Hossain, Azad; Yee, Nathan K.; Busacca, Carl; Roschangar, Frank; Xin, Yanchao; Mao, Zhantong; Zhang, Xinzhu; Hong, Yaping; Senanayake, Chris H.","Development of a Scalable, Chromatography-Free Synthesis of t-Bu-SMS-Phos and Application to the Synthesis of an Important Chiral CF<sub>3</sub>-Alcohol Derivative with High Enantioselectivity Using Rh-Catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2018","83","3","1448","1461","10.1021/acs.joc.7b03022","","","1.54178","CuKα","","0.0927","0.0754","","","0.198","0.2105","","","","","","1.027","","","","has coordinates,has disorder","227621","2020-10-21","18:00:00",""
"4033412","12.72","0.003","21.862","0.004","13.524","0.003","90","","108.38","0.03","90","","3569","1.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H66 Cu6 N14 O3 S6 -","- C70 H66 Cu6 N14 O3 S6 -","- C140 H132 Cu12 N28 O6 S12 -","2","1","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.0628","0.0542","","","0.1222","0.1302","","","","","","1.078","","","","has coordinates","227623","2020-10-21","18:00:00",""
"4033413","12.8655","0.0012","14.159","0.0013","16.1031","0.0015","115.333","0.002","104.641","0.002","96.319","0.002","2484.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H70 Cl12 Cu6 N12 S6 -","- C100 H70 Cl12 Cu6 N12 S6 -","- C100 H70 Cl12 Cu6 N12 S6 -","1","0.5","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.0829","0.058","","","0.117","0.1258","","","","","","1.1","","","","has coordinates,has disorder","227623","2020-10-21","18:00:00",""
"4033414","11.498","0.002","16.85","0.003","22.074","0.004","90","","99.51","0.03","90","","4217.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H66 Cu6 N12 S6 -","- C96 H66 Cu6 N12 S6 -","- C192 H132 Cu12 N24 S12 -","2","0.5","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.1049","0.0701","","","0.1231","0.1394","","","","","","1.127","","","","has coordinates,has disorder","227623","2020-10-21","18:00:00",""
"4033415","8.778","0.0006","9.5962","0.0006","15.1276","0.0011","88.947","0.003","74.264","0.003","67.765","0.003","1130.23","0.14","304.6","","304.6","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C52 H48 O16 -","2","1","","Singh, Dileep Kumar; Kim, Ikyon","Skeletal Reorganization: Synthesis of Diptoindonesin G from Pauciflorol F.","The Journal of organic chemistry","2018","83","3","1667","1672","10.1021/acs.joc.7b03089","","","0.71073","MoKα","","0.1324","0.0635","","","0.1057","0.1265","","","","","","1.077","","","","has coordinates","227625","2020-10-21","18:00:00",""
"4033416","7.81","0.005","10.638","0.005","13.879","0.005","79.989","0.005","85.653","0.005","70.974","0.005","1073.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","1","","Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K.","Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes.","The Journal of organic chemistry","2018","83","3","1106","1115","10.1021/acs.joc.7b02315","","","0.71073","MoKα","","0.0877","0.0521","","","0.1244","0.1499","","","","","","1.095","","","","has coordinates","227628","2020-10-21","18:00:00",""
"4033417","11.123","0.005","11.216","0.005","18.015","0.005","104.581","0.005","101.069","0.005","97.47","0.005","2096.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 F N2 O4 -","- C22 H27 F N2 O4 -","- C88 H108 F4 N8 O16 -","4","2","","Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K.","Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes.","The Journal of organic chemistry","2018","83","3","1106","1115","10.1021/acs.joc.7b02315","","","0.71069","MoKα","","0.1953","0.0748","","","0.1221","0.1546","","","","","","0.982","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033418","14.1899","0.001","15.0564","0.0008","18.4072","0.0012","90","","90","","90","","3932.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N4 -","- C22 H23 Cl N4 -","- C176 H184 Cl8 N32 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1462","0.1302","","","0.2921","0.3034","","","","","","1.819","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033419","16.3083","0.0005","9.767","0.0004","19.6225","0.0008","90","","90","","90","","3125.5","0.2","150","","150","","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.05","0.04","","","0.1016","0.1091","","","","","","1.049","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033420","17.6113","0.0019","9.5321","0.001","9.6776","0.0009","90","","92.417","0.003","90","","1623.2","0.3","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C80 H76 N12 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0634","0.0518","","","0.1316","0.1385","","","","","","1.103","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033421","9.078","0.006","6.161","0.003","34.4","0.02","90","","94.14","0.02","90","","1919","1.9","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1056","0.0653","","","0.1713","0.1945","","","","","","1.05","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033422","8.5778","0.0006","13.4422","0.001","14.8404","0.0012","77.608","0.003","82.915","0.003","71.874","0.003","1585.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H32 N2 S4 -","- C36 H32 N2 S4 -","- C72 H64 N4 S8 -","2","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0737","0.0459","","","0.1008","0.1119","","","","","","1.019","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033423","13.6137","0.0008","6.1328","0.0003","20.1964","0.0011","90","","102.919","0.003","90","","1643.52","0.16","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.094","0.0703","","","0.1896","0.2166","","","","","","0.874","","","","has coordinates,has disorder","227632","2020-10-21","18:00:00",""
"4033424","6.2768","0.0012","11.5391","0.0017","25.917","0.004","90","","91.65","0.009","90","","1876.4","0.5","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1247","0.0987","","","0.2511","0.2714","","","","","","1.131","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033425","42.452","0.003","8.5066","0.0005","9.6005","0.0007","90","","98.667","0.002","90","","3427.4","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 S2 -","- C20 H18 N2 S2 -","- C160 H144 N16 S16 -","8","2","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0562","0.0471","","","0.1106","0.1167","","","","","","0.968","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033426","4.8449","0.0003","23.9147","0.0013","8.5862","0.0006","90","","105.37","0.007","90","","959.25","0.11","129.95","0.1","129.95","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N3 O4 S -","- C18 H27 N3 O4 S -","- C36 H54 N6 O8 S2 -","2","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","","1.5418","CuKα","","0.0717","0.0598","","","0.148","0.1629","","","","","","1.043","","","","has coordinates,has disorder","288197","2023-12-08","18:09:38",""
"4033427","14.377","0.0004","16.1729","0.0004","9.375","0.0002","90","","91.987","0.003","90","","2178.54","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N4 O5 -","- C21 H30 N4 O5 -","- C84 H120 N16 O20 -","4","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","x-ray","0.71073","MoKα","","0.0835","0.0525","","","0.1155","0.1336","","","","","","1.028","","","","has coordinates","227605","2020-10-21","18:00:00",""
"4033428","10.2751","0.0006","10.9293","0.0005","11.4868","0.0005","63.848","0.004","75.238","0.005","85.703","0.004","1118.65","0.11","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H33 N3 O3 S -","- C22 H33 N3 O3 S -","- C44 H66 N6 O6 S2 -","2","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","x-ray","0.71073","MoKα","","0.1241","0.1178","","","0.3688","0.3714","","","","","","1.098","","","","has coordinates","227605","2020-10-21","18:00:00",""
"4033429","8.552","0.003","14.315","0.005","19.352","0.007","90","","90","","90","","2369.1","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C104 H108 N4 O20 S4 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.1044","0.0477","","","0.1113","0.1469","","","","","","0.929","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033430","16.1887","0.0015","6.0567","0.0006","21.921","0.002","90","","111.15","0.003","90","","2004.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 S2 -","- C20 H23 N O4 S2 -","- C80 H92 N4 O16 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.0918","0.047","","","0.1346","0.1588","","","","","","1.007","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033431","14.214","0.003","10.495","0.003","19.36","0.005","90","","105.677","0.006","90","","2780.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 S2 -","- C27 H30 N2 O6 S2 -","- C108 H120 N8 O24 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.1493","0.072","","","0.1367","0.1641","","","","","","1.054","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033432","10.5391","0.0004","11.194","0.0005","12.4871","0.0006","102.315","0.004","109.424","0.004","105.574","0.004","1261.89","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N2 O6 S -","- C25 H32 N2 O6 S -","- C50 H64 N4 O12 S2 -","2","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","x-ray","0.71073","MoKα","","0.0457","0.04","","","0.1007","0.1054","","","","","","1.066","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033433","13.3456","0.0008","10.2748","0.0007","19.6583","0.0017","90","","90","","90","","2695.6","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H32 N2 O6 S2 -","- C28 H32 N2 O6 S2 -","- C112 H128 N8 O24 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","x-ray","0.71073","MoKα","","0.0846","0.0639","","","0.1415","0.158","","","","","","1.044","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033434","10.9306","0.0018","10.966","0.0018","10.9747","0.0018","86.834","0.002","84.597","0.002","61.446","0.002","1150.3","0.3","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0894","0.054","","","0.1259","0.1391","","","","","","1.062","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033435","10.3936","0.0012","13.0178","0.0016","16.0441","0.0019","100.373","0.002","92.08","0.002","92.163","0.002","2131.7","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","2","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.1078","0.0585","","","0.1205","0.1508","","","","","","1.012","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033436","10.4878","0.0012","10.7169","0.0012","10.7804","0.0012","90","","101.988","0.002","90","","1185.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.056","0.05","","","0.1342","0.1397","","","","","","1.064","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033437","9.0161","0.0009","9.3663","0.001","16.0999","0.0016","77.857","0.001","85.231","0.001","69.991","0.001","1248.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 F6 O2 -","- C32 H18 F6 O2 -","- C64 H36 F12 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0777","0.0526","","","0.1385","0.1631","","","","","","1.051","","","","has coordinates,has disorder","227530","2020-10-21","18:00:00",""
"4033438","9.019","0.002","24.9","0.005","10.765","0.002","90","","98.326","0.003","90","","2392","0.8","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C128 H96 O16 -","4","0.5","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0726","0.0482","","","0.1197","0.1468","","","","","","1.104","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033439","3.864","0.0011","10.515","0.003","13.701","0.004","90","","92.688","0.004","90","","556.1","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 Cl O -","- C15 H9 Cl O -","- C30 H18 Cl2 O2 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0794","0.0522","","","0.1085","0.1236","","","","","","1.087","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033440","11.1685","0.0007","10.7853","0.0007","18.9822","0.0011","90","","106.119","0.001","90","","2196.6","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C120 H72 F8 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0537","0.0399","","","0.0972","0.1057","","","","","","1.041","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033441","9.9579","0.0011","17.3275","0.0019","12.0829","0.0013","90","","96.297","0.002","90","","2072.3","0.4","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.05","0.0401","","","0.0967","0.1035","","","","","","1.043","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033442","41.029","0.004","9.251","0.0009","31.065","0.003","90","","126.324","0.001","90","","9499.8","1.6","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C512 H384 O64 -","32","4","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.1419","0.0598","","","0.1374","0.1802","","","","","","0.925","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033443","10.6655","0.0018","15.265","0.003","15.421","0.003","71.401","0.002","76.345","0.002","82.394","0.002","2307.9","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 Cl2 O2 -","- C30 H18 Cl2 O2 -","- C120 H72 Cl8 O8 -","4","2","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0859","0.0529","","","0.1288","0.1589","","","","","","1.052","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033444","9.9961","0.0009","10.5492","0.0009","10.7931","0.0009","89.069","0.001","65.605","0.001","88.511","0.001","1036.16","0.16","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C60 H40 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0545","0.0429","","","0.1015","0.1108","","","","","","1.027","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033445","3.8335","0.0002","10.3188","0.0004","26.6901","0.0011","90","","93.597","0.002","90","","1053.7","0.08","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F O -","- C15 H9 F O -","- C60 H36 F4 O4 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","1.54178","CuKα","","0.0574","0.0553","","","0.1534","0.1555","","","","","","1.062","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033446","15.535","0.003","7.9072","0.0014","17.8","0.003","90","","95.106","0.003","90","","2177.8","0.7","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C120 H72 F8 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0755","0.0489","","","0.1117","0.1337","","","","","","1.047","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033447","9.831","0.005","9.914","0.005","13.521","0.005","97.504","0.005","96.367","0.005","103.575","0.005","1256.3","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 O2 Si -","- C28 H34 O2 Si -","- C56 H68 O4 Si2 -","2","1","","Acharyya, Ranjan Kumar; Rej, Rohan Kalyan; Nanda, Samik","Exploration of Ring Rearrangement Metathesis Reaction: A General and Flexible Approach for the Rapid Construction [5,n]-Fused Bicyclic Systems en Route to Linear Triquinanes.","The Journal of organic chemistry","2018","83","4","2087","2103","10.1021/acs.joc.7b03021","","","0.71073","MoKα","","0.0616","0.0491","","","0.1274","0.134","","","","","","1.026","","","","has coordinates","227544","2020-10-21","18:00:00",""
"4033448","9.435","0.005","23.467","0.011","11.844","0.005","90","","95.89","0.03","90","","2609","2","299","2","299.59","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H0.12 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","4","","Acharyya, Ranjan Kumar; Rej, Rohan Kalyan; Nanda, Samik","Exploration of Ring Rearrangement Metathesis Reaction: A General and Flexible Approach for the Rapid Construction [5,n]-Fused Bicyclic Systems en Route to Linear Triquinanes.","The Journal of organic chemistry","2018","83","4","2087","2103","10.1021/acs.joc.7b03021","","","0.71073","MoKα","","0.5598","0.1736","","","0.2831","0.4532","","","","","","0.902","","","","has coordinates","227544","2020-10-21","18:00:00",""
"4033449","8.198","0.005","8.834","0.005","12.549","0.005","94.382","0.005","96.169","0.005","111.538","0.005","833.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 O4 S2 -","- C20 H14 O4 S2 -","- C40 H28 O8 S4 -","2","1","","Shukla, Gaurav; Srivastava, Abhijeet; Yadav, Dhananjay; Singh, Maya Shankar","Copper-Catalyzed One-Pot Cross-Dehydrogenative Thienannulation: Chemoselective Access to Naphtho[2,1-b]thiophene-4,5-diones and Subsequent Transformation to Benzo[a]thieno[3,2-c]phenazines.","The Journal of organic chemistry","2018","83","4","2173","2181","10.1021/acs.joc.7b03092","","","0.71069","MoKα","","0.0428","0.0344","","","0.0854","0.0899","","","","","","1.052","","","","has coordinates","227529","2020-10-21","18:00:00",""
"4033450","9.7466","0.0001","9.7676","0.0001","10.7026","0.00001","85.274","0.0005","77.964","0.0005","88.03","0.0005","992.956","0.015","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","Goli, Navya; Kallepu, Shivakrishna; Mainkar, Prathama S.; Lakshmi, Jerripothula K.; Chegondi, Rambabu; Chandrasekhar, Srivari","Synthetic Strategy toward the Pentacyclic Core of Melodinus Alkaloids.","The Journal of organic chemistry","2018","83","4","2244","2249","10.1021/acs.joc.7b03138","","","0.71073","MoKα","","0.0581","0.0467","","","0.1219","0.1298","","","","","","1.04","","","","has coordinates","227532","2020-10-21","18:00:00",""
"4033451","5.48695","0.00006","21.501","0.0003","13.58645","0.00016","90","","95.1653","0.0011","90","","1596.35","0.03","100.02","0.1","100.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0366","0.0343","","","0.0856","0.0874","","","","","","1.035","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033452","13.3733","0.0004","8.5291","0.0003","15.5173","0.0006","90","","102.817","0.003","90","","1725.84","0.11","150","0.1","150","0.1","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0563","0.0508","","","0.1333","0.1399","","","","","","1.056","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033453","8.2565","0.0002","8.9113","0.0002","12.9798","0.0003","103.393","0.002","104.933","0.002","101.202","0.002","864.27","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 Br O4 -","- C20 H17 Br O4 -","- C40 H34 Br2 O8 -","2","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0287","0.0281","","","0.0756","0.0761","","","","","","1.084","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033454","8.30129","0.00008","22.3383","0.0002","8.97393","0.0001","90","","96.2433","0.001","90","","1654.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0366","0.0341","","","0.0851","0.0871","","","","","","1.04","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033455","8.6301","0.0006","8.6645","0.0007","22.6154","0.0012","81.578","0.005","89.377","0.005","88.703","0.006","1672.4","0.2","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0516","0.0445","","","0.1115","0.118","","","","","","1.043","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033456","35.6381","0.0016","6.3353","0.0002","14.7029","0.0007","90","","111.535","0.003","90","","3087.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C128 H128 F24 N8 O32 -","8","1","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0613","0.0472","","","0.1265","0.1368","","","","","","1.008","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033457","8.3163","0.0001","14.7164","0.0002","24.3781","0.0004","90","","90.414","0.001","90","","2983.46","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N O4 -","- C15 H14 F3 N O4 -","- C120 H112 F24 N8 O32 -","8","2","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0691","0.0443","","","0.1004","0.1129","","","","","","1.038","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033458","8.362","0.0002","33.0398","0.0007","11.7333","0.0003","90","","108.816","0.0007","90","","3068.42","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C128 H128 F24 N8 O32 -","8","2","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0627","0.0463","","","0.107","0.1154","","","","","","1.014","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033459","8.3873","0.0007","9.3221","0.0008","22.9755","0.0019","90","","90","","90","","1796.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Rodríguez, Ricardo I; Ramírez, Elsie; Yuste, Francisco; Sánchez-Obregón, Rubén; Alemán, José","Asymmetric Synthesis of Secondary and Tertiary Propargylic Alcohols by Umpolung of Acetylenic Sulfones and ortho-Sulfinyl Carbanions.","The Journal of organic chemistry","2018","83","4","1940","1947","10.1021/acs.joc.7b02887","","","0.71073","MoKα","","0.0885","0.0585","","","0.0937","0.1087","","","","","","1.08","","","","has coordinates","227540","2020-10-21","18:00:00",""
"4033460","6.97","0.0003","10.2932","0.0005","23.6169","0.0013","90","","90","","90","","1694.36","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O3 S2 -","- C17 H15 N3 O3 S2 -","- C68 H60 N12 O12 S8 -","4","1","","Radhakrishnan, Rakesh; Sreejalekshmi, K. G.","Computational Design, Synthesis, and Structure Property Evaluation of 1,3-Thiazole-Based Color-Tunable Multi-heterocyclic Small Organic Fluorophores as Multifunctional Molecular Materials.","The Journal of organic chemistry","2018","83","7","3453","3466","10.1021/acs.joc.7b02978","","","0.71073","MoKα","","0.0334","0.0292","","","0.0741","0.079","","","","","","1.074","","","","has coordinates","227601","2020-10-21","18:00:00",""
"4033461","13.2276","0.0005","13.663","0.0005","19.1637","0.0007","104.17","0.003","98.467","0.003","113.339","0.004","2965","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 Cl2 K N10 O6 -","- C64 H66 Cl2 K N10 O6 -","- C128 H132 Cl4 K2 N20 O12 -","2","1","","Konarev, Dmitri V.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Solid State Structure, and Optical and Magnetic Properties, of Free Base Tetra(4-pyridyl)porphyrin {H<sub>2</sub>T(4-Py)P}<sup>•-</sup> Radical Anions.","The Journal of organic chemistry","2018","83","4","1861","1866","10.1021/acs.joc.7b02791","","x-ray","0.71073","MoKα","","0.095","0.0619","","","0.1366","0.1526","","","","","","1.024","","","","has coordinates","227547","2020-10-21","18:00:00",""
"4033462","9.0004","0.0007","16.388","0.001","9.7835","0.0008","90","","90.926","0.003","90","","1442.86","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 F N O2 S -","- C14 H14 F N O2 S -","- C56 H56 F4 N4 O8 S4 -","4","2","","Silva, Sandrina; Matsuo, Bianca T.; da Silva, Rodrigo C.; Pozzi, Lucas V.; Correa, Arlene G.; Rollin, Patrick; Zukerman-Schpector, Julio; Ferreira, Marco A. B.; Paixão, Márcio W","Organocatalyzed Asymmetric Vinylogous Addition of Oxazole-2(3H)-thiones to α,β-Unsaturated Ketones: An Additive-Free Approach for Diversification of Heterocyclic Scaffold.","The Journal of organic chemistry","2018","83","4","1701","1716","10.1021/acs.joc.7b02236","","","0.71073","MoKα","","0.0659","0.0472","","","0.1169","0.1283","","","","","","1.033","","","","has coordinates","227524","2020-10-21","18:00:00",""
"4033463","9.4497","0.0004","6.4699","0.0003","12.5564","0.0006","90","","99.507","0.002","90","","757.14","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","Kim, Kelly E.; Adams, Ashley M.; Chiappini, Nicholas D.; Du Bois, J.; Stoltz, Brian M.","Cyanthiwigin Natural Product Core as a Complex Molecular Scaffold for Comparative Late-Stage C-H Functionalization Studies.","The Journal of organic chemistry","2018","83","6","3023","3033","10.1021/acs.joc.7b03291","","","1.54178","CuKα","","0.0422","0.038","","","0.0898","0.0924","","","","","","1.062","","","","has coordinates","227571","2020-10-21","18:00:00",""
"4033464","4.6806","0.0002","33.3839","0.0011","11.9303","0.0004","90","","101.048","0.002","90","","1829.64","0.12","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O7 -","- C22 H20 O7 -","- C88 H80 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0263","0.0261","","","0.0832","0.0836","","","","","","0.83","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033465","7.0365","0.0007","15.2618","0.0016","20.961","0.002","90","","90","","90","","2251","0.4","119","2","119","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl3 O7 -","- C23 H21 Cl3 O7 -","- C92 H84 Cl12 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0358","0.0316","","","0.0704","0.072","","","","","","1.008","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033466","11.2892","0.0015","8.9842","0.0011","14.7594","0.0018","90","","96.296","0.005","90","","1487.9","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H42 O7 -","- C35 H42 O7 -","- C70 H84 O14 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0364","0.0343","","","0.0909","0.0934","","","","","","1.08","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033467","8.9952","0.0005","10.1174","0.0006","15.183","0.0008","90","","90.099","0.005","90","","1381.77","0.13","100","0.16","100","0.16","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H36 O5 -","- C32 H36 O5 -","- C64 H72 O10 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0524","0.042","","","0.0837","0.0897","","","","","","1.049","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033468","11.3559","0.0003","15.9683","0.0003","20.4082","0.0006","90","","90","","90","","3700.71","0.16","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0705","0.0476","","","0.1059","0.117","","","","","","1.114","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033469","18.8918","0.0003","18.8918","0.0003","6.39506","0.00013","90","","90","","120","","1976.61","0.06","100","0.12","100","0.12","","","","","","","","3","P 31","P 31","144","","","","- C30 H32 O5 -","- C30 H32 O5 -","- C90 H96 O15 -","3","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","K-L~3~","0.0635","0.0532","","","0.1469","0.1554","","","","","","1.078","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033470","7.465","0.0005","14.7263","0.001","31.5337","0.0018","90","","90","","90","","3466.6","0.4","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 N2 O10 -","- C39 H38 N2 O10 -","- C156 H152 N8 O40 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.7107","MoKα","","0.0675","0.044","","","0.0781","0.0852","","","","","","1.055","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033471","11.5718","0.0008","14.1562","0.0009","22.0456","0.0015","90","","90","","90","","3611.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0744","0.0469","","","0.0996","0.1113","","","","","","1.038","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033472","14.2573","0.0013","19.037","0.002","25.037","0.002","90","","90","","90","","6795.4","1.1","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H30 F3 N O -","- C45 H30 F3 N O -","- C360 H240 F24 N8 O8 -","8","1","","Bettadapur, Kiran R.; Kapanaiah, Raja; Lanke, Veeranjaneyulu; Prabhu, Kandikere Ramaiah","Weak Directing Group Steered Formal Oxidative [2+2+2]-Cyclization for Selective Benzannulation of Indoles.","The Journal of organic chemistry","2018","83","4","1810","1818","10.1021/acs.joc.7b02719","","","0.71073","MoKα","","0.2579","0.0816","","","0.1798","0.2787","","","","","","0.927","","","","has coordinates","227546","2020-10-21","18:00:00",""
"4033473","50.666","0.01","18.311","0.004","26.972","0.005","90","","122.15","0.03","90","","21186","10","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C205 H199 Cl12 N39 O39 -","- C205 H198 Cl12 N39 O39 -","- C820 H792 Cl48 N156 O156 -","4","0.5","","Wang, Wei; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Yang, Bing; Liu, Junqiu; Dong, Zeyuan","A Switchable Helical Capsule for Encapsulation and Release of Potassium Ion.","The Journal of organic chemistry","2018","83","4","1898","1902","10.1021/acs.joc.7b02840","","","0.71073","MoKα","","0.1711","0.0709","","","0.1974","0.2396","","","","","","0.925","","","","has coordinates,has disorder","227533","2020-10-21","18:00:00",""
"4033474","13.1795","0.001","7.9817","0.0006","18.5976","0.0013","90","","105.361","0.004","90","","1886.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MCY-593","","","- C23 H16 Br N3 -","- C23 H16 Br N3 -","- C92 H64 Br4 N12 -","4","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.0806","0.0466","","","0.1157","0.1325","","","","","","1.059","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033475","7.0232","0.0009","8.8151","0.0011","17.845","0.002","82.58","0.0011","89.993","0.0012","73.8609","0.0012","1051.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","MCY-328","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.051","0.0404","","","0.0972","0.1047","","","","","","1.024","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033476","10.1674","0.0002","15.1172","0.0004","12.4673","0.0003","90","","107.441","0.0013","90","","1828.16","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MCY-589","","","- C23 H16 Br N3 -","- C23 H16 Br N3 -","- C92 H64 Br4 N12 -","4","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.0666","0.0437","","","0.0897","0.0986","","","","","","1.039","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033477","10.1384","0.0015","12.1562","0.0017","15.084","0.002","94.346","0.004","92.373","0.004","102.343","0.004","1807.7","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Br Cl3 N O9 -","- C35 H35 Br Cl3 N O9 -","- C70 H70 Br2 Cl6 N2 O18 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.1101","0.0734","","","0.1923","0.2362","","","","","","1.204","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033478","7.583","0.0008","10.4504","0.0009","11.0381","0.0009","113.612","0.002","97.664","0.004","93.996","0.004","786.99","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C42 H36 O10 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.083","0.0487","","","0.1189","0.1502","","","","","","1.137","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033479","8.34194","0.00018","11.931","0.0002","14.0513","0.0003","93.3776","0.0014","101.185","0.0014","104.674","0.0013","1318.56","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 I2 O6 -","- C26 H30 I2 O6 -","- C52 H60 I4 O12 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","1.54187","CuKα","","0.0519","0.044","","","0.1087","0.1216","","","","","","1.077","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033480","10.772","0.005","10.898","0.006","13.504","0.008","106.48","0.02","99.82","0.02","91.99","0.02","1492.1","1.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H44 O6 Si -","- C31 H44 O6 Si -","- C62 H88 O12 Si2 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.0581","0.048","","","0.1335","0.1408","","","","","","1.103","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033481","9.7839","0.0007","24.3889","0.0015","10.3536","0.0009","90","","92.947","0.003","90","","2467.3","0.3","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O8 -","- C27 H31 N O8 -","- C108 H124 N4 O32 -","4","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.0773","0.0647","","","0.1735","0.1875","","","","","","1.054","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033482","10.9679","0.0002","17.732","0.0003","20.2762","0.0004","90","","90","","90","","3943.37","0.13","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 Br N4 O6 -","- C44 H41 Br N4 O6 -","- C176 H164 Br4 N16 O24 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0588","0.0381","","","0.0738","0.0789","","","","","","0.974","","","","has coordinates,has disorder","227541","2020-10-21","18:00:00",""
"4033483","5.6523","0.0001","17.3959","0.0004","21.5001","0.0005","90","","90","","90","","2114.04","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C92 H88 Br4 N12 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0417","0.0319","","","0.0594","0.0617","","","","","","0.996","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033484","8.5819","0.0004","10.4353","0.0005","18.294","0.001","90","","90","","90","","1638.31","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O3 -","- C18 H20 Cl N O3 -","- C72 H80 Cl4 N4 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0398","0.0312","","","0.0644","0.0679","","","","","","1.084","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033485","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033486","11.3679","0.0013","11.7476","0.0011","13.3386","0.0013","78.54","0.008","75.237","0.009","76.104","0.009","1654.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H35 Br N O3 -","- C44 H35 Br N O3 -","- C88 H70 Br2 N2 O6 -","2","2","","Aida, Yukimasa; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Unsymmetrical α,ω-Diynes with Acenaphthylene.","The Journal of organic chemistry","2018","83","5","2617","2626","10.1021/acs.joc.7b03042","","x-ray","0.71073","MoKα","","0.1812","0.0873","","","0.1905","0.2422","","","","","","0.994","","","","has coordinates","227521","2020-10-21","18:00:00",""
"4033487","5.9406","0.0002","13.479","0.0007","22.5785","0.0015","90","","91.817","0.005","90","","1807.03","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N -","- C25 H23 N -","- C100 H92 N4 -","4","1","","Andreou, Dimitrios; Kallitsakis, Michael G.; Loukopoulos, Edward; Gabriel, Catherine; Kostakis, George E.; Lykakis, Ioannis N.","Copper-Promoted Regioselective Synthesis of Polysubstituted Pyrroles from Aldehydes, Amines, and Nitroalkenes via 1,2-Phenyl/Alkyl Migration.","The Journal of organic chemistry","2018","83","4","2104","2113","10.1021/acs.joc.7b03051","","x-ray","0.71073","MoKα","","0.0708","0.0471","","","0.1071","0.1177","","","","","","1.019","","","","has coordinates","227543","2020-10-21","18:00:00",""
"4033488","14.0083","0.0012","15.8585","0.001","18.1756","0.0015","98.852","0.006","110.605","0.008","104.194","0.006","3533.4","0.6","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C124 H118 Cl30 N24 O12 -","- C124 H118 Cl30 N24 O12 -","- C124 H118 Cl30 N24 O12 -","1","0.5","","Fiala, Tomas; Sleziakova, Kristina; Marsalek, Kamil; Salvadori, Karolina; Sindelar, Vladimir","Thermodynamics of Halide Binding to a Neutral Bambusuril in Water and Organic Solvents.","The Journal of organic chemistry","2018","83","4","1903","1912","10.1021/acs.joc.7b02846","","","1.5418","CuKα","","0.288","0.1364","","","0.332","0.4382","","","","","","1.044","","","","has coordinates,has disorder","227527","2020-10-21","18:00:00",""
"4033489","14.8423","0.0007","6.5103","0.0005","19.3939","0.0016","90","","94.557","0.005","90","","1868.1","0.2","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","2","","Sun, Meng; Zhu, Zi-Qi; Gu, Ling; Wan, Xiao; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Dearomative [3 + 2] Cycloaddition of Electron-Deficient Indoles with All-Carbon 1,3-Dipoles.","The Journal of organic chemistry","2018","83","4","2341","2348","10.1021/acs.joc.7b03259","","","1.54178","CuKα","","0.0526","0.046","","","0.0981","0.103","","","","","","1.078","","","","has coordinates","227534","2020-10-21","18:00:00",""
"4033490","29.4324","0.0013","26.5753","0.0012","6.9714","0.0004","90","","90","","90","","5452.9","0.5","293.59","0.1","293.59","0.1","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.1208","0.0905","","","0.2444","0.2668","","","","","","1.059","","","","has coordinates,has disorder","227536","2020-10-21","18:00:00",""
"4033491","28.823","0.003","6.1859","0.0006","10.1655","0.001","90","","98.975","0.011","90","","1790.3","0.3","198","130","198","130","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C96 H68 N4 O12 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.1061","0.0748","","","0.2011","0.225","","","","","","1.025","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033492","9.8231","0.0012","26.649","0.003","18.153","0.002","90","","104.358","0.003","90","","4603.6","0.9","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 N2 O4 S2 -","- C56 H58 N2 O4 S2 -","- C224 H232 N8 O16 S8 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.14","0.069","","","0.1732","0.2124","","","","","","1.02","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033493","13.6323","0.0002","15.09644","0.00019","25.7076","0.0003","90","","90","","90","","5290.6","0.12","185","0.1","185","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C240 H208 N16 O48 S16 -","16","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.0931","0.103","","","","","","1.043","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033494","8.6888","0.0002","8.722","0.0002","16.7794","0.0004","88.443","0.002","80.206","0.002","70.222","0.002","1178.52","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N O3 S -","- C28 H31 N O3 S -","- C56 H62 N2 O6 S2 -","2","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0442","0.0382","","","0.1041","0.1083","","","","","","1.05","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033495","7.3734","0.0004","12.7312","0.0006","14.7746","0.0007","80.569","0.004","80.605","0.004","84.52","0.004","1346.45","0.12","295","5","295","5","","","","","","","","5","P 1","P 1","1","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.0878","0.0772","","","0.2233","0.2437","","","","","","1.057","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033496","11.4514","0.0004","11.4917","0.0003","11.8877","0.0005","112.31","0.003","117.995","0.004","91.276","0.003","1238.85","0.1","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N O -","- C32 H25 N O -","- C64 H50 N2 O2 -","2","1","","Ding, Ting-Hui; Xiao, Zu-Feng; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of Highly Functionalized Indoles and Indolones via Selectivity-Switchable Olefinations.","The Journal of organic chemistry","2018","83","4","2467","2472","10.1021/acs.joc.7b03158","","","1.54184","CuKα","","0.0453","0.0416","","","0.1156","0.1195","","","","","","1.041","","","","has coordinates","227549","2020-10-21","18:00:00",""
"4033497","10.2656","0.001","10.2864","0.001","18.0426","0.0018","78.82","0.004","76.003","0.004","68.308","0.004","1706.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","± ((2R,3R)-5-(dimethylamino)-4-nitro-3-phenyl-2,3-dihydrothiophen-2-yl) (phenyl)methanone","","- C19 H18.25 N2 O3.12 S -","- C19 H18.25 N2 O3.125 S -","- C76 H73 N8 O12.5 S4 -","4","2","","Neuhaus, James D.; Angyal, Peter; Oost, Rik; Maulide, Nuno","(3+2) Cycloadditions of Thiouronium Ylides: A Room-Temperature, One-Pot Approach to Dihydrothiophenes.","The Journal of organic chemistry","2018","83","4","2479","2485","10.1021/acs.joc.7b03255","","x-ray","0.71073","MoKα","","0.0354","0.0319","","","0.0832","0.0855","","","","","","1.031","","","","has coordinates,has disorder","227526","2020-10-21","18:00:00",""
"4033498","9.871","0.0004","13.501","0.0005","16.5306","0.0006","90","","97.2531","0.0011","90","","2185.38","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 Cl3 -","- C29 H17 Cl3 -","- C116 H68 Cl12 -","4","1","","Thakellapalli, Haresh; Farajidizaji, Behzad; Li, Shuangjiang; Heller, Josef C.; Zhang, Yu; Akhmedov, Novruz G.; Milsmann, Carsten; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of a Cyclophane Bearing Two Benz[a]anthracene Units Connected at the 5 and 7 Positions with Two Naphth-1,4-diyl Groups.","The Journal of organic chemistry","2018","83","4","2455","2459","10.1021/acs.joc.7b03081","","","0.71073","MoKα","","0.0685","0.047","","","0.1115","0.1241","","","","","","1.019","","","","has coordinates","227538","2020-10-21","18:00:00",""
"4033499","9.5269","0.0011","9.7728","0.0011","18.425","0.002","76.997","0.002","81.579","0.001","72.555","0.001","1588.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 N O6 S -","- C34 H45 N O6 S -","- C68 H90 N2 O12 S2 -","2","1","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0398","0.0367","","","0.0953","0.0984","","","","","","1.037","","","","has coordinates","227539","2020-10-21","18:00:00",""
"4033500","7.1482","0.0005","10.6504","0.0007","11.8975","0.0008","67.722","0.003","80.069","0.003","84.547","0.003","825.16","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C34 H28 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0347","0.0314","","","0.0786","0.0808","","","","","","1.048","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033501","9.129","0.0008","18.409","0.0016","9.3444","0.0008","90","","110.511","0.003","90","","1470.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O4 S -","- C17 H13 F O4 S -","- C68 H52 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0459","0.0357","","","0.0816","0.0872","","","","","","1.036","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033502","8.922","0.002","10.14","0.002","10.581","0.002","95.636","0.005","113.616","0.004","113.126","0.004","768.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C36 H32 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0457","0.0364","","","0.0928","0.0984","","","","","","1.036","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033503","10.374","0.003","11.581","0.003","19.365","0.005","89.312","0.006","79.036","0.006","81.936","0.007","2261.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F2 O4 S -","- C17 H12 F2 O4 S -","- C102 H72 F12 O24 S6 -","6","3","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0759","0.0501","","","0.1233","0.1405","","","","","","1.024","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033504","29.6762","0.0012","13.3274","0.0005","8.2384","0.0003","90","","97.188","0.001","90","","3232.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C136 H128 N16 O24 S8 -","8","2","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0637","0.0468","","","0.112","0.1233","","","","","","1.075","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033505","13.411","0.0006","10.1144","0.0004","18.3473","0.001","90","","90","","90","","2488.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.1095","0.0752","","","0.1893","0.2093","","","","","","1.092","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033506","5.9308","0.0011","15.169","0.003","17.477","0.003","90","","95.622","0.005","90","","1564.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N6 O3 -","- C42.048 H29.952 N6 O2.952 -","- C84.096 H59.904 N12 O5.904 -","2","0.5","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0741","0.0427","","","0.0977","0.1118","","","","","","1.031","","","","has coordinates,has disorder","227525","2020-10-21","18:00:00",""
"4033507","3.7669","0.0004","22.031","0.002","5.8049","0.0006","90","","94.543","0.003","90","","480.23","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0338","0.0327","","","0.0921","0.0929","","","","","","1.187","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033508","19.3193","0.0014","5.7445","0.0004","17.458","0.0012","90","","109.594","0.006","90","","1825.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Peneau, Augustin; Retailleau, Pascal; Guillou, Catherine; Chabaud, Laurent","Rhodium(III)-Catalyzed Synthesis of Spiropiperidine Derivatives via C-H Activation.","The Journal of organic chemistry","2018","83","4","2324","2340","10.1021/acs.joc.7b03252","","","0.71075","MoKα","","0.0667","0.0455","","","0.1081","0.1239","","","","","","1.044","","","","has coordinates","227550","2020-10-21","18:00:00",""
"4033509","11.029","0.015","9.057","0.012","9.072","0.012","90","","108.1","0.02","90","","861","2","296","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl N O -","- C9 H8 Cl N O -","- C36 H32 Cl4 N4 O4 -","4","1","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.0747","0.0457","","","0.1264","0.1453","","","","","","1.059","","","","has coordinates","227531","2020-10-21","18:00:00",""
"4033510","13.99","0.03","13.738","0.018","18.76","0.03","90","","107","0.09","90","","3448","10","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H21 B Fe N10 -","- C44 H21 B Fe N10 -","- C176 H84 B4 Fe4 N40 -","4","1","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.0596","0.0543","","","0.14","0.147","","","","","","1.146","","","","has coordinates","227548","2020-10-21","18:00:00",""
"4033511","11.45","0.02","17.62","0.03","37.95","0.07","90","","98.9","0.07","90","","7564","2","122","2","122","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H29 B Fe N10 -","- C49 H29 B Fe N10 -","- C392 H232 B8 Fe8 N80 -","8","2","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.1386","0.1024","","","0.2165","0.2348","","","","","","1.095","","","","has coordinates","227548","2020-10-21","18:00:00",""
"4033512","10.098","0.004","13.103","0.005","14.443","0.005","90","","90","","90","","1911","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Hunter, Arianne C.; Schlitzer, Steven C.; Stevens, Joseph C.; Almutwalli, Bilal; Sharma, Indrajeet","A Convergent Approach to Diverse Spiroethers through Stereoselective Trapping of Rhodium Carbenoids with Gold-Activated Alkynols.","The Journal of organic chemistry","2018","83","5","2744","2752","10.1021/acs.joc.7b03196","","","0.71073","MoKα","","0.0994","0.0514","","","0.1174","0.1478","","","","","","1.027","","","","has coordinates","227519","2020-10-21","18:00:00",""
"4033513","11.441","0.0012","14.034","0.002","15.161","0.0018","85.082","0.007","81.85","0.007","69.799","0.007","2259.7","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H55 Cl3 Cs N8 O5.5 -","- C42 H53.5 Cl3 Cs N8 O5.5 -","- C84 H107 Cl6 Cs2 N16 O11 -","2","1","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.1399","0.0808","","","0.1699","0.1942","","","","","","1.468","","","","has coordinates,has disorder","227520","2020-10-21","18:00:00",""
"4033514","10.2117","0.001","9.0778","0.0007","10.8267","0.0012","90","","104.155","0.01","90","","973.16","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Br N2 O6 -","- C19 H21 Br N2 O6 -","- C38 H42 Br2 N4 O12 -","2","1","","Jia, Zhi-Jun; Takayama, Hiroshi; Futamura, Yushi; Aono, Harumi; Bauer, Jonathan O.; Strohmann, Carsten; Antonchick, Andrey P.; Osada, Hiroyuki; Waldmann, Herbert","Catalytic Enantioselective Synthesis of a Pyrrolizidine-Alkaloid-Inspired Compound Collection with Antiplasmodial Activity.","The Journal of organic chemistry","2018","83","13","7033","7041","10.1021/acs.joc.7b03202","","","0.71073","MoKα","","0.0914","0.0454","","","0.0532","0.0559","","","","","","1.003","","","","has coordinates","227584","2020-10-21","18:00:00",""
"4033515","7.052","0.0005","22.3291","0.0013","27.6452","0.0017","90","","90","","90","","4353.1","0.5","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N3 O6 S -","- C21 H20.5 Br N3 O6 S -","- C168 H164 Br8 N24 O48 S8 -","8","2","","Zhang, Jun-Qi; Tong, Feifei; Sun, Bing-Bing; Fan, Wei-Tai; Chen, Jun-Bo; Hu, Dandan; Wang, Xing-Wang","Pd-Catalyzed Asymmetric Dearomative Cycloaddition for Construction of Optically Active Pyrroloindoline and Cyclopentaindoline Derivatives: Access to 3a-Aminopyrroloindolines.","The Journal of organic chemistry","2018","83","5","2882","2891","10.1021/acs.joc.8b00046","","","0.71073","MoKα","","0.0724","0.0486","","","0.0964","0.1244","","","","","","1.071","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4033516","6.776","0.002","10.643","0.003","11.371","0.004","90.537","0.011","106.826","0.009","94.317","0.008","782.3","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.1633","0.0586","","","0.1347","0.2079","","","","","","0.875","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033517","14.0516","0.001","12.5217","0.0009","15.0866","0.0011","90","","117.487","0.001","90","","2354.8","0.3","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br N O4 S -","- C26 H24 Br N O4 S -","- C104 H96 Br4 N4 O16 S4 -","4","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.052","0.033","","","0.0748","0.0815","","","","","","1.005","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033518","15.4536","0.0015","12.9941","0.0012","24.233","0.002","90","","90","","90","","4866.1","0.8","130","","130","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C224 H216 N8 O40 S8 -","8","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.0817","0.0486","","","0.103","0.1182","","","","","","1.009","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033519","6.3289","0.0005","14.3422","0.0011","18.7478","0.0015","90","","96.896","0.008","90","","1689.4","0.2","169.9","","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F2 N2 O3 -","- C20 H16 F2 N2 O3 -","- C80 H64 F8 N8 O12 -","4","1","","Zhang, Pingshun; Pan, Shanfei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Palladium-Catalyzed Sequential Heteroarylation/Acylation Reactions of Iodobenzenes: Synthesis of Functionalized Benzo[ d]oxazoles.","The Journal of organic chemistry","2018","83","6","3354","3360","10.1021/acs.joc.7b03055","","","0.71073","MoKα","","0.0719","0.0477","","","0.111","0.1283","","","","","","1.042","","","","has coordinates","227580","2020-10-21","18:00:00",""
"4033520","6.7171","0.0008","7.6452","0.0009","14.3038","0.0018","100.606","0.004","94.579","0.004","98.384","0.004","709.98","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H10 F4 -","- C22 H10 F4 -","- C44 H20 F8 -","2","1","","Shen, Bin; Geiger, Thomas; Einholz, Ralf; Reicherter, Florian; Schundelmeier, Simon; Maichle-Mössmer, Cäcilia; Speiser, Bernd; Bettinger, Holger F.","Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States.","The Journal of organic chemistry","2018","83","6","3149","3158","10.1021/acs.joc.7b03241","","","0.71073","MoKα","","0.0748","0.0499","","","0.1388","0.1578","","","","","","1.1","","","","has coordinates","227574","2020-10-21","18:00:00",""
"4033521","7.4133","0.0003","11.6571","0.0006","18.6337","0.0009","88.156","0.004","87.588","0.004","77.8","0.004","1572.07","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","","1.54184","CuKα","","0.0599","0.0439","","","0.1103","0.1224","","","","","","1.022","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4033522","12.8169","0.0005","7.219","0.0003","16.4865","0.0006","90","","99.444","0.004","90","","1504.74","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","x-ray","0.71073","MoKα","","0.0515","0.0408","","","0.0951","0.1028","","","","","","1.046","","","","has coordinates","227578","2020-10-21","18:00:00",""
"4033523","5.7571","0.0004","18.4857","0.0013","17.589","0.0013","90","","94.41","0.004","90","","1866.4","0.2","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F2 N O -","- C25 H19 F2 N O -","- C100 H76 F8 N4 O4 -","4","1","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","0.71073","MoKα","","0.1046","0.0572","","","0.1211","0.1384","","","","","","1.037","","","","has coordinates","227582","2020-10-21","18:00:00",""
"4033524","5.6561","0.0003","9.7402","0.0004","19.2384","0.0009","102.673","0.003","96.75","0.003","97.299","0.003","1014.03","0.08","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 F2 N O2 -","- C26 H21 F2 N O2 -","- C52 H42 F4 N2 O4 -","2","1","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","0.71073","MoKα","","0.0724","0.0507","","","0.1258","0.139","","","","","","1.038","","","","has coordinates,has disorder","227582","2020-10-21","18:00:00",""
"4033525","12.5464","0.00016","7.0703","0.0001","15.098","0.0002","90","","105.623","0.0005","90","","1289.81","0.03","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Gouthami, Pashikanti; Chavan, Lahu N.; Chegondi, Rambabu; Chandrasekhar, Srivari","Syntheses of 2-Aroyl Benzofurans through Cascade Annulation on Arynes.","The Journal of organic chemistry","2018","83","6","3325","3332","10.1021/acs.joc.8b00360","","","0.71073","MoKα","","0.0655","0.05","","","0.1351","0.1456","","","","","","1.06","","","","has coordinates","227573","2020-10-21","18:00:00",""
"4033526","5.364","0.0002","10.4478","0.0003","19.1395","0.0006","90","","90","","90","","1072.62","0.06","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O7 -","- C10 H8 N2 O7 -","- C40 H32 N8 O28 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","1.54184","CuKα","","0.0225","0.0224","","","0.0582","0.0584","","","","","","1.081","","","","has coordinates","227576","2020-10-21","18:00:00",""
"4033527","11.508","0.004","9.58","0.004","23.335","0.009","90","","101.596","0.006","90","","2520.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Br O4 S -","- C29 H25 Br O4 S -","- C116 H100 Br4 O16 S4 -","4","1","","Wang, Miao; Tang, Bo-Cheng; Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","C(sp<sup>3</sup>)-H Bond Functionalization of Benzo[ c]oxepines via C-O bond Cleavage: Formal [3+3] Synthesis of Multisubstituted Chromans.","The Journal of organic chemistry","2018","83","6","3409","3416","10.1021/acs.joc.8b00126","","","0.71073","MoKα","","0.0899","0.0609","","","0.1625","0.1951","","","","","","0.825","","","","has coordinates","227579","2020-10-21","18:00:00",""
"4033528","8.6534","0.0011","20.771","0.003","11.3478","0.0014","90","","93.146","0.002","90","","2036.6","0.5","324","2","324","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","","Wang, Miao; Tang, Bo-Cheng; Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","C(sp<sup>3</sup>)-H Bond Functionalization of Benzo[ c]oxepines via C-O bond Cleavage: Formal [3+3] Synthesis of Multisubstituted Chromans.","The Journal of organic chemistry","2018","83","6","3409","3416","10.1021/acs.joc.8b00126","","","0.71073","MoKα","","0.0464","0.0425","","","0.1202","0.1238","","","","","","1.048","","","","has coordinates","227579","2020-10-21","18:00:00",""
"4033529","6.0477","0.0003","7.596","0.0004","20.0487","0.0011","90","","90","","90","","921","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,4R,9aS)-hexahydro-2H-3,4-methanofuro[2,3-c]oxocine-2,1(3H)-dione","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71073","MoKα","","0.0395","0.0382","","","0.0998","0.1011","","","","","","1.073","","","","has coordinates","227581","2020-10-21","18:00:00",""
"4033530","27.1507","0.0002","19.4075","0.00015","29.45","0.0002","90","","106.74","0.0008","90","","14860.3","0.2","123","","123","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C171 H156 N6 O6 P6 Pd3 -","- C171 H156 N6 O6 P6 Pd3 -","- C342 H312 N12 O12 P12 Pd6 -","2","0.5","","Abe, Hajime; Hashikawa, Daisuke; Minami, Takaya; Ohtani, Kohei; Masuda, Kentaro; Matsumoto, Shinya; Inouye, Masahiko","Hexaphenolic Rigid Cages Prepared by Self-Organization of C<sub>3 v</sub> Tridentates.","The Journal of organic chemistry","2018","83","6","3132","3141","10.1021/acs.joc.7b03111","","","1.54187","CuKα","","0.0807","0.0729","","","0.192","0.1978","","","","","","1.026","","","","has coordinates","227570","2020-10-21","18:00:00",""
"4033531","13.468","0.005","6.456","0.002","16.345","0.006","90","","109.155","0.006","90","","1342.5","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 -","- C15 H16 N4 -","- C60 H64 N16 -","4","1","","Gupta, Sonu; Chandna, Nisha; Singh, Ajai K.; Jain, Nidhi","Regioselective Synthesis of N<sup>2</sup>-Alkylated-1,2,3 Triazoles and N<sup>1</sup>-Alkylated Benzotriazoles: Cu<sub>2</sub>S as a Recyclable Nanocatalyst for Oxidative Amination of N, N-Dimethylbenzylamines.","The Journal of organic chemistry","2018","83","6","3226","3235","10.1021/acs.joc.8b00107","","","0.71073","MoKα","","0.0835","0.0653","","","0.1702","0.18","","","","","","1.146","","","","has coordinates","227572","2020-10-21","18:00:00",""
"4033532","9.62","0.03","5.811","0.016","28.8","0.07","90","","98.02","0.04","90","","1594","8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 -","- C17 H17 Br N4 -","- C68 H68 Br4 N16 -","4","2","","Gupta, Sonu; Chandna, Nisha; Singh, Ajai K.; Jain, Nidhi","Regioselective Synthesis of N<sup>2</sup>-Alkylated-1,2,3 Triazoles and N<sup>1</sup>-Alkylated Benzotriazoles: Cu<sub>2</sub>S as a Recyclable Nanocatalyst for Oxidative Amination of N, N-Dimethylbenzylamines.","The Journal of organic chemistry","2018","83","6","3226","3235","10.1021/acs.joc.8b00107","","","0.71073","MoKα","","0.1851","0.0916","","","0.197","0.2383","","","","","","1.038","","","","has coordinates","227572","2020-10-21","18:00:00",""
"4033533","11.659","0.003","16.597","0.004","12.868","0.003","90","","115.964","0.003","90","","2238.7","0.9","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N Se -","- C27 H27 N Se -","- C108 H108 N4 Se4 -","4","1","","Shibahara, Fumitoshi; Suzuki, Masafumi; Kubota, Saki; Fukunaga, Tomoki; Udagawa, Taro; Murai, Toshiaki","Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements.","The Journal of organic chemistry","2018","83","6","3078","3089","10.1021/acs.joc.8b00306","","","0.71075","MoKα","","0.0561","0.0423","","","0.1052","0.1145","","","","","","1.05","","","","has coordinates","227575","2020-10-21","18:00:00",""
"4033534","12.3134","0.0004","17.4067","0.0005","21.6601","0.0007","90","","105.877","0.003","90","","4465.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N14 O4 -","- C36 H50 N14 O4 -","- C144 H200 N56 O16 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.098","0.0674","","","0.173","0.1914","","","","","","1.063","","","","has coordinates,has disorder","227577","2020-10-21","18:00:00",""
"4033535","18.14","0.007","11.74","0.004","18.675","0.007","90","","118.992","0.006","90","","3479","2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 N11 O8 -","- C28 H27 Cl2 N11 O8 -","- C112 H108 Cl8 N44 O32 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.113","0.0959","","","0.1928","0.2018","","","","","","1.225","","","","has coordinates","227577","2020-10-21","18:00:00",""
"4033536","13.9437","0.0007","15.3663","0.0009","18.6515","0.0013","90","","90.378","0.004","90","","3996.2","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 N10 O8 -","- C31 H32 Cl2 N10 O8 -","- C124 H128 Cl8 N40 O32 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0993","0.0896","","","0.2221","0.2285","","","","","","1.215","","","","has coordinates","227577","2020-10-21","18:00:00",""
"4033537","17.878","0.004","11.555","0.002","18.777","0.004","90","","118.16","0.03","90","","3419.8","1.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl2 N11 O6 -","- C29 H27 Cl2 N11 O6 -","- C116 H108 Cl8 N44 O24 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.084","0.0786","","","0.2105","0.2159","","","","","","1.105","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4033538","9.235","0.0019","9.804","0.002","9.895","0.002","100.762","0.002","91.839","0.002","103.357","0.002","853.7","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O4 S -","- C20 H14 N2 O4 S -","- C40 H28 N4 O8 S2 -","2","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0388","0.0338","","","0.0908","0.0969","","","","","","1.056","","","","has coordinates","227590","2020-10-21","18:00:00",""
"4033539","29.379","0.017","33.67","0.02","11.409","0.011","90","","90","","90","","11286","14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36.12 H35.25 Cl0.25 N -","- C36.125 H35.25 Cl0.25 N -","- C578 H564 Cl4 N16 -","16","2","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.1152","0.0565","","","0.1112","0.1326","","","","","","1.009","","","","has coordinates,has disorder","227594","2020-10-21","18:00:00",""
"4033540","6.3525","0.0003","14.6783","0.001","20.3136","0.0014","90","","90","","90","","1894.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0584","0.0492","","","0.1294","0.1424","","","","","","0.913","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4033541","11.8743","0.0002","11.8743","0.0002","11.5602","0.0002","90","","90","","120","","1411.6","0.04","100","1","100","1","","","","","","","","3","P 32","P 32","145","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C63 H96 O9 -","3","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.0408","0.0406","","","0.1142","0.1144","","","","","","1.149","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4033542","9.9548","0.0005","11.4972","0.0006","20.4597","0.0009","82.019","0.004","77.797","0.004","70.07","0.005","2146","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","2","","Wang, Qiqi; Zhang, Lianpeng; Yao, Jinzhong; Qiu, Guanyinsheng; Li, Xiaofang; Zhou, Hongwei","Silver-Catalyzed Stereoselective Cyclization to Polysubstituted ( Z)-1,2-Dihydrobenzo[ cd]indoles.","The Journal of organic chemistry","2018","83","7","4092","4098","10.1021/acs.joc.7b03257","","x-ray","1.54184","CuKα","","0.0538","0.0437","","","0.1194","0.1323","","","","","","1.022","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033543","7.6561","0.0004","20.7843","0.001","22.6355","0.0012","90","","90","","90","","3601.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","","0.71073","MoKα","","0.0786","0.0542","","","0.1205","0.1332","","","","","","1.042","","","","has coordinates","227589","2020-10-21","18:00:00",""
"4033544","8.3909","0.0002","8.3286","0.0002","12.4602","0.0003","90","","93.482","0.002","90","","869.17","0.04","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Derosa, Joseph; O'Duill, Miriam L; Holcomb, Matthew; Boulous, Mark N.; Patman, Ryan L.; Wang, Fen; Tran-Dubé, Michelle; McAlpine, Indrawan; Engle, Keary M.","Copper-Catalyzed Chan-Lam Cyclopropylation of Phenols and Azaheterocycles.","The Journal of organic chemistry","2018","83","7","3417","3425","10.1021/acs.joc.7b03100","","x-ray","0.71073","MoKα","","0.0387","0.0347","","","0.0932","0.097","","","","","","1.062","","","","has coordinates","227593","2020-10-21","18:00:00",""
"4033545","10.338","0.004","11.016","0.006","22.351","0.009","88.2","0.04","77.272","0.017","86.4","0.03","2477.6","1.9","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H52 -","- C70 H52 -","- C140 H104 -","2","1","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","1.54187","CuKα","","0.164","0.097","","","0.2484","0.3214","","","","","","1.014","","","","has coordinates,has disorder","227595","2020-10-21","18:00:00",""
"4033546","8.427","0.002","11.446","0.003","19.827","0.005","105.602","0.004","98.716","0.004","94.253","0.004","1807.4","0.8","173","2","173.15","","","","","","","","","2","P -1","-P 1","2","","biphenyl","","- C47 H36 -","- C47 H36 -","- C94 H72 -","2","1","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71073","MoKα","","0.1762","0.0785","","","0.2076","0.2517","","","","","","0.862","","","","has coordinates,has disorder","227595","2020-10-21","18:00:00",""
"4033547","13.3967","0.0005","8.2622","0.0003","19.1027","0.0006","90","","110.429","0.0014","90","","1981.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Tamizmani, Masilamani; Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Redox-Free [3 + 2] Cycloaddition of N-Sulfonyl Aromatic Aldimines with Maleimides.","The Journal of organic chemistry","2018","83","7","3746","3755","10.1021/acs.joc.8b00102","","","0.71073","MoKα","","0.0498","0.0395","","","0.0927","0.1005","","","","","","1.027","","","","has coordinates","227600","2020-10-21","18:00:00",""
"4033548","14.5065","0.0006","15.758","0.0007","19.4","0.0007","91.379","0.003","98.913","0.003","90.225","0.003","4379.8","0.3","180","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 O9 Si2 -","- C42 H62 O9 Si2 -","- C168 H248 O36 Si8 -","4","2","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.111","0.0892","","","0.2589","0.2753","","","","","","1.041","","","","has coordinates,has disorder","227586","2020-10-21","18:00:00",""
"4033549","10.0742","0.0007","10.3625","0.0008","14.4143","0.0011","79.532","0.004","78.546","0.004","89.614","0.005","1449.58","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","2","","Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.","The Journal of organic chemistry","2018","83","7","3840","3856","10.1021/acs.joc.8b00194","","","0.71073","MoKα","","0.1","0.0727","","","0.1869","0.2257","","","","","","1.034","","","","has coordinates","227602","2020-10-21","18:00:00",""
"4033550","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033551","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033552","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033553","5.6498","0.0004","15.0191","0.0009","25.5231","0.0017","90","","90","","90","","2165.8","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O5 S -","- C27 H21 N O5 S -","- C108 H84 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.128","0.0742","","","0.1213","0.1386","","","","","","1","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033554","5.65","0.0007","13.3279","0.0015","28.334","0.003","90","","90","","90","","2133.6","0.4","296","1","296","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O5 S -","- C23 H18 Br N O5 S -","- C92 H72 Br4 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0602","0.0403","","","0.0869","0.0949","","","","","","1.024","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033555","7.062","0.002","11.037","0.003","18.156","0.005","98.757","0.004","100.531","0.005","99.852","0.005","1346","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Br N7 O9 -","- C26 H22 Br N7 O9 -","- C52 H44 Br2 N14 O18 -","2","1","","Luan, Lin-Bo; Song, Zi-Jie; Li, Zhi-Ming; Wang, Quan-Rui; Wang, Jing-Mei","Synthesis of Triazolodiazepinium Salts: Sequential [3<sup>+</sup>+2] Cycloaddition/Rearrangement Reaction of 1-Aza-2-azoniaallenium Cation Intermediates Generated from Piperidin-4-ones.","The Journal of organic chemistry","2018","83","7","3441","3452","10.1021/acs.joc.7b02742","","","0.71073","MoKα","","0.1183","0.0828","","","0.2486","0.3063","","","","","","1.215","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033556","7.486","0.0002","5.6312","0.0002","15.5148","0.0004","90","","101.298","0.002","90","","641.35","0.03","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Jin, Yushu; Makida, Yusuke; Uchida, Tatsuya; Kuwano, Ryoichi","Ruthenium-Catalyzed Chemo- and Enantioselective Hydrogenation of Isoquinoline Carbocycles.","The Journal of organic chemistry","2018","83","7","3829","3839","10.1021/acs.joc.8b00190","","","1.54187","CuKα","","0.0422","0.0337","","","0.0779","0.0919","","","","","","1.093","","","","has coordinates","227591","2020-10-21","18:00:00",""
"4033557","8.3043","0.0007","22.819","0.0016","15.8252","0.0012","90","","102.756","0.004","90","","2924.8","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O4 S Si -","- C29 H37 N O4 S Si -","- C116 H148 N4 O16 S4 Si4 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0647","0.0609","","","0.1644","0.1698","","","","","","1.041","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033558","12.2955","0.0005","14.6854","0.0006","12.69","0.0006","90","","91.462","0.002","90","","2290.62","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 -","- C25 H23 N3 O7 -","- C100 H92 N12 O28 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0732","0.0546","","","0.1344","0.1496","","","","","","1.034","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033559","16.3548","0.0013","17.6188","0.0008","19.186","0.002","90","","114.775","0.011","90","","5019.6","0.8","292.84","0.1","292.84","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H68 N2 -","- C64 H68 N2 -","- C256 H272 N8 -","4","1","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.2261","0.085","","","0.1599","0.2327","","","","","","0.949","","","","has coordinates","227588","2020-10-21","18:00:00",""
"4033583","38.945","0.002","4.5998","0.0003","26.6918","0.0016","90","","133.009","0.002","90","","3496.5","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N5 O6 -","- C20 H17 N5 O6 -","- C160 H136 N40 O48 -","8","1","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","1.54178","CuKα","","0.0425","0.0358","","","0.1158","0.1251","","","","","","0.989","","","","has coordinates","223217","2020-10-21","18:00:00",""
"4033584","15.0392","0.0017","4.6544","0.0005","23.336","0.002","90","","93.506","0.007","90","","1630.4","0.3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H30 N6 O8 -","- C36 H30 N6 O8 -","- C72 H60 N12 O16 -","2","0.5","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","0.71073","MoKα","","0.1449","0.0589","","","0.1195","0.1527","","","","","","0.954","","","","has coordinates","223217","2020-10-21","18:00:00",""
"4033585","6.6482","0.0002","12.1779","0.0003","12.733","0.0003","62.607","0.001","75.839","0.002","88.593","0.002","882.82","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O8 -","- C20 H17 N O8 -","- C40 H34 N2 O16 -","2","1","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","0.71073","MoKα","","0.0577","0.0433","","","0.1175","0.1268","","","","","","1.074","","","","has coordinates,has disorder","223217","2020-10-21","18:00:00",""
"4033586","6.8925","0.0001","8.5995","0.0002","33.9536","0.0007","90","","90","","90","","2012.5","0.07","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F3 N3 O7 S -","- C17 H20 F3 N3 O7 S -","- C68 H80 F12 N12 O28 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0203","0.0202","","","0.0526","0.0528","","","","","","1.077","","","","has coordinates","223218","2020-10-21","18:00:00",""
"4033587","10.9239","0.0002","22.6975","0.0004","8.8845","0.0002","90","","106.788","0.002","90","","2108.98","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F6 N3 O -","- C9 H5 F6 N3 O -","- C72 H40 F48 N24 O8 -","8","2","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0443","0.0372","","","0.096","0.1005","","","","","","1.034","","","","has coordinates","223219","2020-10-21","18:00:00",""
"4033588","11.5247","0.0003","8.3841","0.0001","21.245","0.0004","90","","104.969","0.002","90","","1983.12","0.07","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N3 -","- C13 H9 N3 -","- C104 H72 N24 -","8","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0357","0.0322","","","0.09","0.0929","","","","","","1.061","","","","has coordinates","223219","2020-10-21","18:00:00",""
"4033589","14.1669","0.0014","6.075","0.0006","15.6269","0.0017","90","","90","","90","","1344.9","0.2","155","","155","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","0.5","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0656","0.048","","","0.115","0.1302","","","","","","1.043","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033590","11.096","0.003","11.577","0.004","12.028","0.003","62.158","0.01","89.182","0.009","72.717","0.014","1290.3","0.7","296","2","295.82","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl N2 O6 S -","- C28 H25 Cl N2 O6 S -","- C56 H50 Cl2 N4 O12 S2 -","2","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0746","0.0529","","","0.1489","0.1659","","","","","","1.042","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033591","11.796","0.002","7.326","0.0015","31.816","0.006","90","","90","","90","","2749.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C128 H88 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.7","synchrotron","","0.0623","0.0462","","","0.1282","0.136","","","","","","1.048","","","","has coordinates","223235","2020-10-21","18:00:00",""
"4033592","11.035","0.003","12.177","0.003","17.248","0.004","90.577","0.004","98.878","0.004","99.787","0.005","2255","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","2","","Kattamuri, Padmanabha V.; Bhakta, Urmibhusan; Siriwongsup, Surached; Kwon, Doo-Hyun; Alemany, Lawrence B.; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Synthesis of Structurally Diverse 3-, 4-, 5-, and 6-Membered Heterocycles from Diisopropyl Iminomalonates and Soft C-Nucleophiles.","The Journal of organic chemistry","2019","84","11","7066","7099","10.1021/acs.joc.9b00681","","","0.71073","MoKα","","0.2125","0.0873","","","0.205","0.2837","","","","","","1.077","","","","has coordinates","223233","2020-10-21","18:00:00",""
"4033593","10.8576","0.0003","13.0152","0.0004","17.4505","0.0005","104.015","0.002","97.067","0.002","96.925","0.002","2345.28","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","2","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.2121","0.1297","","","0.3583","0.4175","","","","","","1.287","","","","has coordinates","223238","2020-10-21","18:00:00",""
"4033594","7.4944","0.0003","11.0027","0.0004","14.0513","0.0005","91.9","0.003","90.732","0.003","101.377","0.003","1135.04","0.07","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","2","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0468","0.041","","","0.1126","0.1177","","","","","","1.065","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033595","14.4932","0.0003","10.3321","0.0002","19.1214","0.0004","90","","108.602","0.002","90","","2713.75","0.1","123","0.2","123","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 -","- C18 H12 N4 -","- C144 H96 N32 -","8","2","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0416","0.0374","","","0.103","0.1076","","","","","","1.051","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033596","13.1456","0.0004","5.1912","0.0002","16.5884","0.0005","90","","90.411","0.002","90","","1131.99","0.07","123","1","123","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0454","0.0353","","","0.0917","0.0995","","","","","","1.057","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033597","13.7408","0.0002","10.8233","0.0002","16.535","0.0002","90","","90","","90","","2459.1","0.07","123.01","0.1","123.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C112 H80 Br8 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0283","0.0261","","","0.0708","0.0726","","","","","","1.083","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033598","7.8775","0.0001","8.9322","0.0001","17.6085","0.0003","90","","99.102","0.001","90","","1223.39","0.03","123","0.11","123","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0346","0.0334","","","0.083","0.084","","","","","","1.04","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033599","9.5514","0.0003","9.5468","0.0002","17.8087","0.0005","90","","105.517","0.003","90","","1564.7","0.08","296.95","0.1","296.95","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N3 -","- C10 H7 N3 -","- C80 H56 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0486","0.0473","","","0.1086","0.1093","","","","","","1.201","","","","has coordinates,has disorder","223234","2020-10-21","18:00:00",""
"4033600","8.3761","0.0004","9.1695","0.0005","12.8814","0.0007","76.433","0.005","81.845","0.004","76.422","0.005","930.91","0.09","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C38 H38 Br2 N4 O4 S2 -","2","1","","Zhou, Yuxuan; Li, Zhenmin; Ma, Fanghui; Zhao, Chang; Lu, Ping; Wang, Yanguang","Palladium-Catalyzed Synthesis of 3-Haloindol-2-amines from 3-Diazoindolin-2-imines and Alkyl Halides.","The Journal of organic chemistry","2019","84","11","6655","6668","10.1021/acs.joc.9b00191","","","0.71073","MoKα","","0.0538","0.0374","","","0.0864","0.0954","","","","","","1.051","","","","has coordinates","223236","2020-10-21","18:00:00",""
"4033601","11.302","0.002","7.7678","0.001","13.039","0.003","90","","108.99","0.02","90","","1082.4","0.4","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C46 H38 Br2 N4 O6 S2 -","2","1","","Zhou, Yuxuan; Li, Zhenmin; Ma, Fanghui; Zhao, Chang; Lu, Ping; Wang, Yanguang","Palladium-Catalyzed Synthesis of 3-Haloindol-2-amines from 3-Diazoindolin-2-imines and Alkyl Halides.","The Journal of organic chemistry","2019","84","11","6655","6668","10.1021/acs.joc.9b00191","","","0.71073","MoKα","","0.0641","0.0479","","","0.1034","0.1199","","","","","","1.096","","","","has coordinates","223236","2020-10-21","18:00:00",""
"4033602","6.0161","0.0013","7.0221","0.0017","7.62","0.002","90","","90","","90","","321.91","0.13","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C8 H16 Cl2 F4 N2 -","2","0.5","","Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O.","Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks.","The Journal of organic chemistry","2019","84","13","8487","8496","10.1021/acs.joc.9b00719","","","0.71073","MoKα","","0.0255","0.0244","","","0.0598","0.0605","","","","","","1.023","","","","has coordinates","223221","2020-10-21","18:00:00",""
"4033603","9.1839","0.0004","9.046","0.0004","14.9911","0.0007","90","","91.1716","0.0013","90","","1245.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C32 H64 Cl8 F16 N8 -","8","2","","Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O.","Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks.","The Journal of organic chemistry","2019","84","13","8487","8496","10.1021/acs.joc.9b00719","","","1.54178","CuKα","","0.0239","0.0231","","","0.0591","0.0596","","","","","","1.061","","","","has coordinates","223221","2020-10-21","18:00:00",""
"4033604","14.3388","0.0005","10.8672","0.0004","10.7633","0.0003","90","","93.505","0.003","90","","1674.03","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br F3 N O3 -","- C15 H15 Br F3 N O3 -","- C60 H60 Br4 F12 N4 O12 -","4","1","","Das, Prasanta; Hasan, Mohammad H.; Mitra, Dipanwita; Bollavarapu, Ratna; Valente, Edward J.; Tandon, Ritesh; Raucher, Drazen; Hamme, 2nd, Ashton T","Design, Synthesis, and Preliminary Studies of Spiro-isoxazoline-peroxides against Human Cytomegalovirus and Glioblastoma ∥.","The Journal of organic chemistry","2019","84","11","6992","7006","10.1021/acs.joc.9b00746","","x-ray","0.71073","MoKα","","0.1202","0.0522","","","0.1433","0.1823","","","","","","1.003","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4033605","14.5222","0.0002","5.651","0.0001","40.0027","0.0005","90","","90.973","0.001","90","","3282.35","0.08","160","0.1","160","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C50.2 H31.8 -","- C50.2 H31.8 -","- C200.8 H127.2 -","4","1","","Ravat, Prince; Blacque, Olivier; Juríček, Michal","Benzo[<i>cd</i>]triangulene: A Spin 1/2 Graphene Fragment.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02163","","x-ray","1.54184","CuKα","","0.0563","0.0503","","","0.1382","0.1439","","","","","","1.045","","","","has coordinates,has disorder","219597","2020-10-21","18:00:00",""
"4033606","12.6312","0.0003","15.7637","0.0004","16.8507","0.0005","90","","107.622","0.003","90","","3197.77","0.16","160","0.1","160","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H30 O -","- C49 H30 O -","- C196 H120 O4 -","4","1","","Ravat, Prince; Blacque, Olivier; Juríček, Michal","Benzo[<i>cd</i>]triangulene: A Spin 1/2 Graphene Fragment.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02163","","x-ray","0.71073","MoKα","","0.059","0.0467","","","0.1279","0.1356","","","","","","1.047","","","","has coordinates","219598","2020-10-21","18:00:00",""
"4033607","11.8479","0.0002","10.0191","0.0001","11.9095","0.0002","90","","116.482","0.002","90","","1265.39","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N3 O4 S -","- C26 H24 Br N3 O4 S -","- C52 H48 Br2 N6 O8 S2 -","2","1","","Zhao, Zi-Qiang; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","<i>Cinchona</i> Alkaloid Squaramide-Catalyzed Asymmetric Ugi-Type Reaction of Isocyanoacetates with C,N-Cyclic Azomethine Imines: Access to Chiral Oxazole-Substituted Tetrahydroisoquinolines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01955","","x-ray","1.54184","CuKα","","0.0436","0.042","","","0.1106","0.1116","","","","","","1.054","","","","has coordinates","219599","2020-10-21","18:00:00",""
"4033608","8.269","0.003","9.888","0.004","16.124","0.006","90","","93.384","0.004","90","","1316.1","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Oxidopyrylium dimer 8","racemic (1R,2S,6S,7R)-6,9-dimethoxy-4,7-dimethyl-3,11- dioxatricyclo[5.3.1.12,6]-dodeca-4,8-diene-10,12-dione","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Bejcek, Lauren P.; Garimallaprabhakaran, Aswin K.; Suyabatmaz, Duygu M.; Greer, Alexander; Hersh, William H.; Greer, Edyta M.; Murelli, Ryan P.","Maltol- and Allomaltol-Derived Oxidopyrylium Ylides: Methyl Substitution Pattern Kinetically Influences [5 + 3] Dimerization versus [5 + 2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02137","","","0.71073","MoKα","","0.0418","0.0363","","","0.0905","0.0945","","","","","","1.048","","","","has coordinates","219600","2020-10-21","18:00:00",""
"4033609","8.6979","0.0019","13.609","0.003","22.635","0.005","90","","99.274","0.002","90","","2644.3","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Oxidopyrylium dimer 14","racemic (1R,2R,6R,7R)-6,9-dimethoxy-2,7-dimethyl-3,11- dioxatricyclo[5.3.1.12,6]dodeca-4,9-diene-8,12-dione","","- C14 H16 O6 -","- C14 H16 O6 -","- C112 H128 O48 -","8","2","","Bejcek, Lauren P.; Garimallaprabhakaran, Aswin K.; Suyabatmaz, Duygu M.; Greer, Alexander; Hersh, William H.; Greer, Edyta M.; Murelli, Ryan P.","Maltol- and Allomaltol-Derived Oxidopyrylium Ylides: Methyl Substitution Pattern Kinetically Influences [5 + 3] Dimerization versus [5 + 2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02137","","","0.71073","MoKα","","0.1687","0.1319","","","0.2484","0.2631","","","","","","1.289","","","","has coordinates,has disorder","219601","2020-10-21","18:00:00",""
"4033610","9.21","0.004","10.504","0.004","14.325","0.006","77.595","0.003","74.803","0.003","89.528","0.003","1304.4","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Oxidopyrylium dimer 13","racemic (1R,2S,6S,7R)-6,9-dimethoxy-1,2-dimethyl-3,11- dioxatricyclo[5.3.1.12,6]-dodeca-4,8-diene-10,12-dione","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","2","","Bejcek, Lauren P.; Garimallaprabhakaran, Aswin K.; Suyabatmaz, Duygu M.; Greer, Alexander; Hersh, William H.; Greer, Edyta M.; Murelli, Ryan P.","Maltol- and Allomaltol-Derived Oxidopyrylium Ylides: Methyl Substitution Pattern Kinetically Influences [5 + 3] Dimerization versus [5 + 2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02137","","","0.71073","MoKα","","0.0996","0.0906","","","0.2743","0.2946","","","","","","1.28","","","","has coordinates","219602","2020-10-21","18:00:00",""
"4033611","9.1662","0.0002","11.1972","0.0002","13.268","0.0002","109.332","0.002","95.505","0.001","113.013","0.002","1142.22","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Wang, Chun-Ying; Han, Jia-Bin; Wang, Long; Tang, Xiang-Ying","Lewis Acid Catalyzed [4 + 2] Cycloaddition of <i>N</i>-Tosylhydrazones with <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","14258","14269","10.1021/acs.joc.9b02040","","x-ray","1.54184","CuKα","","0.0356","0.0352","","","0.0897","0.09","","","","","","1.044","","","","has coordinates","223222","2020-10-21","18:00:00",""
"4033612","12.88","0.003","16.51","0.003","6.395","0.0013","90","","99.63","0.03","90","","1340.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C60 H68 N12 O4 -","4","1","","Witkowska, Agnieszka; Brzezinska, Jolanta; Pedzinski, Tomasz; Chmielewski, Marcin K.","Fluorescent 2-(Pyridin-2-yl)vinyl Pyridine Dyes and Their Thermocontrolled Release.","The Journal of organic chemistry","2019","84","21","13447","13456","10.1021/acs.joc.9b01620","","","0.89429","synchrotron","","0.0459","0.0413","","","0.1053","0.1317","","","","","","1.166","","","","has coordinates","223223","2020-10-21","18:00:00",""
"4033613","7.582","0.0001","12.2125","0.0001","29.8274","0.0003","90","","90","","90","","2761.87","0.05","223","","223","","","","101.3","","","","","4","P b c a","-P 2ac 2ab","61","4-methoxy-6-nitro-2-phenylchromane","4-methoxy-6-nitro-2-phenylchromane","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0499","0.0472","","","0.1237","0.1265","","","","","","1.111","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033614","9.1504","0.0002","9.164","0.0002","11.3246","0.0002","112.025","0.002","102.585","0.001","98.478","0.002","831.15","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C34 H32 N4 O14 -","2","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0493","0.047","","","0.1238","0.1259","","","","","","1.077","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033615","7.6119","0.0002","8.7039","0.0004","13.041","0.0006","86.965","0.004","79.616","0.003","78.971","0.003","834.01","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C34 H32 N4 O14 -","2","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0599","0.055","","","0.1608","0.1698","","","","","","1.082","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033616","19.835","0.003","5.8838","0.0007","17.3407","0.0019","90","","113.033","0.004","90","","1862.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenyl phenylselanyl benzo imidazo thiazine","4-phenyl-3-(phenylselanyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C22 H16 N2 S Se -","- C22 H16 N2 S Se -","- C88 H64 N8 S4 Se4 -","4","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0577","0.0346","","","0.0842","0.0991","","","","","","1.12","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033617","5.8575","0.0003","21.3888","0.0012","15.7642","0.0008","90","","92.419","0.002","90","","1973.26","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenylselanyl p-tolyl benzo imidazo thiazine","3-(phenylselanyl)-4-(p-tolyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C23 H18 N2 S Se -","- C23 H18 N2 S Se -","- C92 H72 N8 S4 Se4 -","4","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0717","0.0385","","","0.0757","0.0857","","","","","","1.005","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033618","5.999","0.003","7.392","0.003","21.647","0.012","90","","96.023","0.017","90","","954.6","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorophenyl phenylselanyl benzo imidazo thiazine","4-(4-chlorophenyl)-3-(phenylselanyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C22 H15 Cl N2 S Se -","- C22 H15 Cl N2 S Se -","- C44 H30 Cl2 N4 S2 Se2 -","2","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0272","0.0243","","","0.0564","0.0572","","","","","","1.039","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033619","29.4767","0.0008","7.5456","0.0002","21.702","0.0006","90","","90","","90","","4826.9","0.2","123","","123","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H16 Cl3 I2 In N O2 -","- C23 H16 Cl1.5 I2 In N O2 -","- C184 H128 Cl12 I16 In8 N8 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.115","0.124","","","","","","0.892","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033620","14.25","0.0002","14.314","0.0002","28.2402","0.0004","90","","90","","90","","5760.28","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 I6 In2 O2 -","- C18 H14 I6 In2 O2 -","- C144 H112 I48 In16 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","1.54184","CuKα","","0.0525","0.0496","","","0.1314","0.1343","","","","","","1.067","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033621","10.2861","0.0004","12.2992","0.0004","18.0217","0.0007","85.011","0.003","79.264","0.003","71.536","0.003","2123.76","0.14","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","2","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0902","0.0501","","","0.1391","0.1651","","","","","","0.943","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033622","8.4349","0.0005","10.8431","0.0005","20.7594","0.0011","90","","96.089","0.005","90","","1887.95","0.17","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","","0.71073","MoKα","","","0.0537","","","","0.1004","","","","","","0.981","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033623","10.4592","0.0008","8.1844","0.0006","13.6348","0.001","90","","100.54","0.007","90","","1147.48","0.15","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C62 H44 O6 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0556","0.043","","","0.0967","0.1042","","","","","","1.052","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033624","10.0337","0.0005","5.7858","0.0003","19.3039","0.001","90","","100.44","0.005","90","","1102.1","0.1","123","","123","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C31 H20 O2 -","- C31 H20 O2 -","- C62 H40 O4 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0462","0.0375","","","0.0855","0.0894","","","","","","1.056","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033625","11.0293","0.0011","30.286","0.003","11.1297","0.0011","90","","114.053","0.002","90","","3394.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N6 O2 -","- C36 H36 N6 O2 -","- C144 H144 N24 O8 -","4","1","","Veerakanellore, Giri Babu; Smith, Caris M.; Vasiliu, Monica; Oliver, Allen G.; Dixon, David A.; Carrick, Jesse D.","Synthesis of 1<i>H</i>-Pyrazol-5-yl-pyridin-2-yl-[1,2,4]triazinyl Soft-Lewis Basic Complexants via Metal and Oxidant Free [3 + 2] Dipolar Cycloaddition of Terminal Ethynyl Pyridines with Tosylhydrazides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02088","","","0.71073","MoKα","","0.0606","0.0493","","","0.1239","0.1328","","","","","","1.032","","","","has coordinates","219612","2020-10-21","18:00:00",""
"4033626","9.117","0.01","10.951","0.013","13.219","0.015","82.747","0.016","71.248","0.016","74.802","0.014","1205","2","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Veerakanellore, Giri Babu; Smith, Caris M.; Vasiliu, Monica; Oliver, Allen G.; Dixon, David A.; Carrick, Jesse D.","Synthesis of 1<i>H</i>-Pyrazol-5-yl-pyridin-2-yl-[1,2,4]triazinyl Soft-Lewis Basic Complexants via Metal and Oxidant Free [3 + 2] Dipolar Cycloaddition of Terminal Ethynyl Pyridines with Tosylhydrazides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02088","","","0.71073","MoKα","","0.1649","0.0949","","","0.2212","0.2621","","","","","","1.027","","","","has coordinates","219613","2020-10-21","18:00:00",""
"4033627","9.367","0.0004","9.763","0.0005","10.3133","0.0005","117.878","0.002","91.349","0.002","98.247","0.002","820.63","0.07","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl N2 Se -","- C19 H13 Cl N2 Se -","- C38 H26 Cl2 N4 Se2 -","2","1","","Dey, Amrita; Hajra, Alakananda","Iodine-Catalyzed Selenylation of 2<i>H</i>-Indazole.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02199","","","0.71073","MoKα","","0.0401","0.0309","","","0.0968","0.1104","","","","","","0.856","","","","has coordinates","219614","2020-10-21","18:00:00",""
"4033628","9.372","0.0009","10.1969","0.001","11.3176","0.0011","90","","96.536","0.003","90","","1074.54","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C48 H40 N12 O4 -","2","1","","Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu","Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable <i>n</i>-Type Organic Field-Effect Transistors: Critical Role of <i>N</i>-Alkyl Substituent on Device Performance.","The Journal of organic chemistry","2019","84","21","14061","14068","10.1021/acs.joc.9b02207","","","0.71073","MoKα","","0.0493","0.0402","","","0.0965","0.1031","","","","","","1.055","","","","has coordinates","223227","2020-10-21","18:00:00",""
"4033629","8.6764","0.0007","11.0515","0.0009","31.064","0.002","90","","94.38","0.003","90","","2969.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N6 O2 -","- C32 H36 N6 O2 -","- C128 H144 N24 O8 -","4","1","","Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu","Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable <i>n</i>-Type Organic Field-Effect Transistors: Critical Role of <i>N</i>-Alkyl Substituent on Device Performance.","The Journal of organic chemistry","2019","84","21","14061","14068","10.1021/acs.joc.9b02207","","","0.71073","MoKα","","0.0514","0.0368","","","0.0964","0.111","","","","","","1.081","","","","has coordinates","223227","2020-10-21","18:00:00",""
"4033630","4.962","0.0002","13.1568","0.0006","10.7648","0.0005","90","","96.674","0.001","90","","698.01","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 I N5 O4 -","- C10 H12 I N5 O4 -","- C20 H24 I2 N10 O8 -","2","1","","Leonard, Peter; Kondhare, Dasharath; Jentgens, Xenia; Daniliuc, Constantin; Seela, Frank","Nucleobase-Functionalized 5-Aza-7-deazaguanine Ribo- and 2'-Deoxyribonucleosides: Glycosylation, Pd-Assisted Cross-Coupling, and Photophysical Properties.","The Journal of organic chemistry","2019","84","21","13313","13328","10.1021/acs.joc.9b01347","","","1.54178","CuKα","","0.0202","0.0199","","","0.0476","0.0478","","","","","","1.054","","","","has coordinates","223228","2020-10-21","18:00:00",""
"4033631","15.9706","0.0005","25.3689","0.0007","19.9594","0.0006","90","","98.497","0.001","90","","7997.9","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H68 Cl6 N8 O16 -","- C90 H68 Cl6 N8 O16 -","- C360 H272 Cl24 N32 O64 -","4","1","","Furuyama, Taniyuki; Maeda, Kazuya; Maeda, Hajime; Segi, Masahito","Chemoselective Synthesis of Aryloxy-Substituted Phthalocyanines.","The Journal of organic chemistry","2019","84","21","14306","14312","10.1021/acs.joc.9b02126","","","1.54178","CuKα","","0.0808","0.0716","","","0.1947","0.207","","","","","","1.03","","","","has coordinates","223229","2020-10-21","18:00:00",""
"4033632","8.8184","0.0006","12.864","0.0008","14.676","0.001","104.981","0.003","90.846","0.003","101.054","0.004","1574.78","0.18","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C80 H48 N8 O8 -","4","2","","Furuyama, Taniyuki; Maeda, Kazuya; Maeda, Hajime; Segi, Masahito","Chemoselective Synthesis of Aryloxy-Substituted Phthalocyanines.","The Journal of organic chemistry","2019","84","21","14306","14312","10.1021/acs.joc.9b02126","","","1.54178","CuKα","","0.0499","0.0438","","","0.1211","0.1255","","","","","","1.101","","","","has coordinates","223229","2020-10-21","18:00:00",""
"4033633","16.1154","0.0005","12.2973","0.0003","21.8677","0.0006","90","","113.366","0.004","90","","3978.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 B2 Cl2 O6 -","- C42 H52 B2 Cl2 O6 -","- C168 H208 B8 Cl8 O24 -","4","0.5","","Kamei, Toshiyuki; Nishino, Soshi; Yagi, Akiko; Segawa, Yasutomo; Shimada, Toyoshi","Ni-Catalyzed α-Selective C-H Borylations of Naphthalene-Based Aromatic Compounds.","The Journal of organic chemistry","2019","84","21","14354","14359","10.1021/acs.joc.9b02333","","","0.71073","MoKα","","0.057","0.0512","","","0.1383","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223230","2020-10-21","18:00:00",""
"4033634","7.7019","0.0005","10.3698","0.0007","25.1234","0.0014","90","","90","","90","","2006.5","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O2 S -","- C24 H28 O2 S -","- C96 H112 O8 S4 -","4","1","","Wu, Wanqing; Chen, Yang; Li, Meng; Hu, Weigao; Lin, Xuemin","Access to Polysubstituted (Furyl)methylthioethers via a Base-Promoted S-H Insertion Reaction of Conjugated Enynones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02053","","x-ray","0.71073","MoKα","","0.0527","0.0445","","","0.094","0.0988","","","","","","1.028","","","","has coordinates","219621","2020-10-21","18:00:00",""
"4033635","11.527","0.005","8.015","0.003","17.6","0.007","90","","103.109","0.009","90","","1583.7","1.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Li, Huihui; Wu, Chenglin; Liu, Hong; Wang, Jiang","Ruthenium(II)-Catalyzed C-H Acylmethylation between (Hetero)arenes and α-Cl Ketones/Sulfoxonium Ylides.","The Journal of organic chemistry","2019","84","21","13262","13275","10.1021/acs.joc.9b01013","","","0.71073","MoKα","","0.1625","0.0549","","","0.1066","0.1441","","","","","","0.913","","","","has coordinates","223231","2020-10-21","18:00:00",""
"4033636","8.912","0.002","9.739","0.003","13.835","0.004","90","","107.019","0.01","90","","1148.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0391","0.0381","","","0.1077","0.1088","","","","","","1.046","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033637","31.933","0.004","7.2952","0.001","32.306","0.004","90","","169.263","0.003","90","","1402.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","0.71073","MoKα","","0.0689","0.0635","","","0.1804","0.1863","","","","","","1.063","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033638","8.6675","0.0002","13.7568","0.0003","21.7507","0.0005","90","","90","","90","","2593.49","0.1","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C104 H128 N32 O16 -","8","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0433","0.0368","","","0.0887","0.094","","","","","","1.0456","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033639","15.12","0.04","4.5","0.012","24.5","0.05","90","","106.85","0.07","90","","1595","7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.2463","0.0995","","","0.1988","0.2576","","","","","","0.961","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033640","5.1907","0.0011","15.181","0.003","16.105","0.003","90","","95.153","0.004","90","","1263.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0599","0.0442","","","0.1016","0.1097","","","","","","1.072","","","","has coordinates,has disorder","219626","2020-10-21","18:00:00",""
"4033641","13.0608","0.0006","7.6252","0.0004","23.3828","0.0012","90","","102.587","0.002","90","","2272.8","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C112 H72 N8 O16 S8 -","8","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0445","0.0382","","","0.1033","0.1082","","","","","","0.977","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033642","12.4342","0.0006","7.2489","0.0004","29.2916","0.0014","90","","97.197","0.003","90","","2619.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N3 O4 -","- C34 H25 N3 O4 -","- C136 H100 N12 O16 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.1584","0.0679","","","0.1181","0.1452","","","","","","1.024","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033643","16.1874","0.0009","12.8827","0.0007","22.5755","0.0012","90","","90.0752","0.0019","90","","4707.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N3 Na O2 S2 -","- C28 H16 N3 Na O2 S2 -","- C224 H128 N24 Na8 O16 S16 -","8","2","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0596","0.0451","","","0.1114","0.121","","","","","","1.049","","","","has coordinates,has disorder","289785","2024-02-12","08:29:27",""
"4033644","7.3366","0.0019","14.047","0.004","14.462","0.004","83.268","0.009","76.71","0.009","85.528","0.009","1438.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 B F2 N O3 -","- C17 H12 B F2 N O3 -","- C68 H48 B4 F8 N4 O12 -","4","2","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.1836","0.1067","","","0.2231","0.242","","","","","","1.546","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033645","12.2258","0.0006","18.041","0.0009","14.4701","0.0008","90","","93.302","0.002","90","","3186.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26.5 N3 O8 S2 Zn -","- C34 H26.5 N3 O8 S2 Zn -","- C136 H106 N12 O32 S8 Zn4 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0693","0.0589","","","0.1457","0.1524","","","","","","1.097","","","","has coordinates,has disorder","219626","2020-10-21","18:00:00",""
"4033646","14.854","0.004","13.222","0.003","7.507","0.0018","90","","102.901","0.004","90","","1437.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N O S -","- C17 H14 F N O S -","- C68 H56 F4 N4 O4 S4 -","4","1","","Yu, Pei; Wang, Yuwei; Zeng, Zhigang; Chen, Yunfeng","Metal-Free C-N or C-C Bond Cleavages of α-Azido Ketones: An Oxidative-Amidation Strategy for the Synthesis of α-Ketothioamides and Amides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01777","","","0.71073","MoKα","","0.0637","0.046","","","0.1278","0.1422","","","","","","1.063","","","","has coordinates","220327","2020-10-21","18:00:00",""
"4033647","5.4276","0.0002","15.5769","0.0008","15.8835","0.0008","90","","90","","90","","1342.87","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 S2 -","- C12 H14 O5 S2 -","- C48 H56 O20 S8 -","4","1","","Mear, Sarah Jane; Jamison, Timothy F.","Diazotization of S-Sulfonyl-cysteines","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02630","","","0.71073","MoKα","","0.0228","0.0215","","","0.0541","0.0545","","","","","","1.07","","","","has coordinates","220328","2020-10-21","18:00:00",""
"4033648","6.7185","0.00004","7.05778","0.00004","27.0126","0.0002","90","","90","","90","","1280.88","0.014","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O6 Se -","- C10 H16 N2 O6 Se -","- C40 H64 N8 O24 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0181","0.018","","","0.0465","0.0466","","","","","","1.066","","","","has coordinates","220505","2020-10-21","18:00:00",""
"4033649","7.515","0.0001","7.7136","0.0001","24.1346","0.0003","90","","90","","90","","1399.03","0.03","292.82","0.1","292.82","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N5 O3 Se -","- C11 H14 Cl N5 O3 Se -","- C44 H56 Cl4 N20 O12 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0241","0.0232","","","0.0598","0.0603","","","","","","1.072","","","","has coordinates","220506","2020-10-21","18:00:00",""
"4033650","7.5314","0.0002","7.9755","0.0002","22.8076","0.0005","90","","90","","90","","1369.98","0.06","293.44","0.16","293.44","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl N4 O3 Se -","- C11 H13 Cl N4 O3 Se -","- C44 H52 Cl4 N16 O12 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0465","0.0459","","","0.1276","0.128","","","","","","1.159","","","","has coordinates","220507","2020-10-21","18:00:00",""
"4033651","6.7275","0.0005","13.0314","0.0013","32.146","0.003","90","","90","","90","","2818.2","0.4","100","2","100.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 O11 -","- C27 H30 O11 -","- C108 H120 O44 -","4","1","","Hawsawi, Mohammed; Wickramasinghe, Anura; Crich, David","Use of Phenols as Nucleophiles in the Zbiral Oxidative Deamination of <i>N</i>-Acetyl Neuraminic Acid: Isolation and Characterization of Tricyclic 3-Keto-2-deoxy-nonulosonic Acid (KDN) Derivatives via an Intermediate Vinyl Diazonium Ion.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02279","","","0.71073","MoKα","","0.0541","0.0366","","","0.0758","0.0809","","","","","","1.04","","","","has coordinates","220508","2020-10-21","18:00:00",""
"4033652","13.391","0.0004","20.0066","0.0006","20.2292","0.0006","119.204","0.002","97.369","0.002","102.306","0.002","4447.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H84 Cl8 F8 -","- C74 H44 Cl4 F8 -","- C148 H88 Cl8 F16 -","2","1","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.0691","0.0499","","","0.124","0.1313","","","","","","1.045","","","","has coordinates","220509","2020-10-21","18:00:00",""
"4033653","25.1372","0.001","20.9252","0.0009","19.7816","0.0008","90","","108.436","0.002","90","","9871.1","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C150 H88 F8 O4 -","- C120 H32 F8 -","- C480 H128 F32 -","4","0.5","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.1173","0.0994","","","0.2924","0.3079","","","","","","1.051","","","","has coordinates","220510","2020-10-21","18:00:00",""
"4033654","13.4645","0.0007","19.5258","0.0012","26.8045","0.0016","90","","94.711","0.004","90","","7023.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 F8 O6 -","- C84 H80 F8 O6 -","- C336 H320 F32 O24 -","4","1","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.1071","0.0769","","","0.2115","0.2453","","","","","","1.021","","","","has coordinates","220511","2020-10-21","18:00:00",""
"4033655","19.8149","0.0006","19.8149","0.0006","13.6041","0.0006","90","","90","","120","","4625.8","0.3","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C77 H41 Cl15 F12 -","- C77 H41 Cl15 F12 -","- C154 H82 Cl30 F24 -","2","0.333333","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.1466","0.0829","","","0.2261","0.2475","","","","","","1.033","","","","has coordinates","220512","2020-10-21","18:00:00",""
"4033656","30.539","0.002","8.1703","0.0007","21.1171","0.0016","90","","90.018","0.005","90","","5269","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H48 F4 -","- C60 H35.9992 F4.0008 -","- C240 H143.997 F16.0032 -","4","1","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.2033","0.1338","","","0.3765","0.4214","","","","","","1.194","","","","has coordinates,has disorder","220513","2020-10-21","18:00:00",""
"4033657","7.164","0.0001","10.8451","0.0001","10.627","0.0001","90","","103.805","0.0014","90","","801.806","0.016","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","George, Josemon; Sherburn, Michael S.","Diene-Transmissive Enantioselective Diels-Alder Reactions and Sequences Involving Substituted Dendralenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02296","","","1.54184","CuKα","","0.0245","0.0242","","0.0629","0.0625","0.0629","","","","","","1.0046","","","","has coordinates","220558","2020-10-21","18:00:00",""
"4033658","5.2476","0.0009","18.201","0.002","14.8426","0.0018","90","0.2","90.1","0.2","90","0.2","1417.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 F3 N2 O3 -","- C11 H15 F3 N2 O3 -","- C44 H60 F12 N8 O12 -","4","2","","Chalyk, Bohdan A.; Hrebeniuk, Kateryna V.; Fil, Yulia V.; Gavrilenko, Konstantin S.; Rozhenko, Alexander B.; Vashchenko, Bohdan V.; Borysov, Oleksandr V.; Biitseva, Angelina V.; Lebed, Pavlo S.; Bakanovych, Iulia; Moroz, Yurii S.; Grygorenko, Oleksandr O.","Synthesis of 5-(Fluoroalkyl)isoxazole Building Blocks by Regioselective Reactions of Functionalized Halogenoximes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02264","","","0.71073","MoKα","","0.1073","0.0782","","","0.2024","0.226","","","","","","0.989","","","","has coordinates","220559","2020-10-21","18:00:00",""
"4033659","11.662","0.012","5.317","0.004","26","0.03","90","","100.8","0.03","90","","1584","3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl O4 S -","- C15 H17 Cl O4 S -","- C60 H68 Cl4 O16 S4 -","4","1","","Crumbie, Robyn L.; Chalmers, Gareth; Bhadbhade, Mohan; Griffith, Renate","Exploration of the Differences Between Amine and Thiolate Addition to Acetylenedicarboxylates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01392","","","0.71073","MoKα","","0.08","0.0421","","","0.1062","0.1318","","","","","","0.977","","","","has coordinates","220560","2020-10-21","18:00:00",""
"4033660","7.4216","0.0003","21.0246","0.0009","18.741","0.0007","90","","90","","90","","2924.3","0.2","150","2","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H16 Cl N O4 -","- C14 H16 Cl N O4 -","- C112 H128 Cl8 N8 O32 -","8","1","","Crumbie, Robyn L.; Chalmers, Gareth; Bhadbhade, Mohan; Griffith, Renate","Exploration of the Differences Between Amine and Thiolate Addition to Acetylenedicarboxylates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01392","","","0.71073","MoKα","","0.0455","0.0345","","","0.0868","0.094","","","","","","1.013","","","","has coordinates","220561","2020-10-21","18:00:00",""
"4033661","11.9821","0.0008","14.3947","0.0012","6.1287","0.0004","90","","100.021","0.004","90","","1040.94","0.13","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 O2 S -","- C11 H13 O2 S -","- C44 H52 O8 S4 -","4","1","","Crumbie, Robyn L.; Chalmers, Gareth; Bhadbhade, Mohan; Griffith, Renate","Exploration of the Differences Between Amine and Thiolate Addition to Acetylenedicarboxylates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01392","","","0.71073","MoKα","","0.0709","0.0437","","","0.1048","0.1143","","","","","","1.046","","","","has coordinates","220562","2020-10-21","18:00:00",""
"4033662","7.5212","0.0018","11.808","0.003","13.25","0.003","65.269","0.011","76.006","0.013","75.414","0.012","1021.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C48 H36 Br2 N2 O6 -","2","1","","Bhaumik, Atanu; Azaz, Tazeen; Singh, Vikram; Khatana, Anil Kumar; Tiwari, Bhoopendra","Carbene/Base-Mediated Redox Alkenylation of Isatins Using β-Substituted Organo-selenones and Aldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02188","","","0.71073","MoKα","","0.1214","0.0879","","","0.2631","0.2878","","","","","","1.109","","","","has coordinates","220605","2020-10-21","18:00:00",""
"4033663","23.7223","0.0016","11.0633","0.0008","10.7204","0.0009","90","","90","","90","","2813.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H30 F3 N3 O5 S2 -","- C26 H30 F3 N3 O5 S2 -","- C104 H120 F12 N12 O20 S8 -","4","1","","Srinivasulu, Vunnam; Khanfar, Monther A. A.; Omar, Hany A.; ElAwady, Raafat; Sieburth, Scott McN; Sebastian, Anusha; Zaher, Dana M.; Al Marzooq, Farah; Hersi, Fatema; Al-Tel, Taleb H","Sequencing [4+1]-Cycloaddition and Aza-Michael Addition Reactions: A Diastereoselective Cascade for the Rapid Access of Pyrido[2',1':2,3]/Thiazolo[2',3':2,3]imidazo[1,5-a]quinolone Scaffolds as Potential Antibacterial and Anticancer Motifs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01919","","x-ray","0.71073","MoKα","","0.1009","0.0767","","","0.1881","0.2183","","","","","","1.051","","","","has coordinates","220606","2020-10-21","18:00:00",""
"4033664","11.1269","0.0005","26.0079","0.001","11.7877","0.0007","90","","111.234","0.006","90","","3179.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 F3 N3 O5 S2 -","- C32 H32 F3 N3 O5 S2 -","- C128 H128 F12 N12 O20 S8 -","4","1","","Srinivasulu, Vunnam; Khanfar, Monther A. A.; Omar, Hany A.; ElAwady, Raafat; Sieburth, Scott McN; Sebastian, Anusha; Zaher, Dana M.; Al Marzooq, Farah; Hersi, Fatema; Al-Tel, Taleb H","Sequencing [4+1]-Cycloaddition and Aza-Michael Addition Reactions: A Diastereoselective Cascade for the Rapid Access of Pyrido[2',1':2,3]/Thiazolo[2',3':2,3]imidazo[1,5-a]quinolone Scaffolds as Potential Antibacterial and Anticancer Motifs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01919","","x-ray","0.71073","MoKα","","0.0847","0.0556","","","0.1367","0.1566","","","","","","1.025","","","","has coordinates","220607","2020-10-21","18:00:00",""
"4033665","10.8034","0.0004","27.8325","0.0012","11.2453","0.0006","90","","107.321","0.005","90","","3228","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 F3 N3 O5 S2 -","- C33 H34 F3 N3 O5 S2 -","- C132 H136 F12 N12 O20 S8 -","4","1","","Srinivasulu, Vunnam; Khanfar, Monther A. A.; Omar, Hany A.; ElAwady, Raafat; Sieburth, Scott McN; Sebastian, Anusha; Zaher, Dana M.; Al Marzooq, Farah; Hersi, Fatema; Al-Tel, Taleb H","Sequencing [4+1]-Cycloaddition and Aza-Michael Addition Reactions: A Diastereoselective Cascade for the Rapid Access of Pyrido[2',1':2,3]/Thiazolo[2',3':2,3]imidazo[1,5-a]quinolone Scaffolds as Potential Antibacterial and Anticancer Motifs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01919","","x-ray","0.71073","MoKα","","0.1134","0.0687","","","0.1546","0.1786","","","","","","1.016","","","","has coordinates","220608","2020-10-21","18:00:00",""
"4033666","23.9466","0.0008","23.9466","0.0008","6.5821","0.0004","90","","90","","120","","3268.8","0.3","173","2","173","2","","","","","","","","3","P 61","P 61","169","","","","- C25.75 H30 O -","- C24 H26 O -","- C144 H156 O6 -","6","1","","Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher","Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02393","","","1.54184","CuKα","","0.1363","0.0867","","","0.2306","0.3024","","","","","","0.966","","","","has coordinates,has disorder","220609","2020-10-21","18:00:00",""
"4033667","9.0638","0.0003","5.6389","0.0002","28.344","0.0008","90","","91.615","0.001","90","","1448.08","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F N O -","- C18 H18 F N O -","- C72 H72 F4 N4 O4 -","4","1","","Xu, Ji-Tao; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","Visible Light Photoredox-Catalyzed α-Alkylation of Cyclic Tertiary Arylamines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02347","","","1.54178","CuKα","","0.0489","0.0441","","","0.1217","0.1263","","","","","","1.046","","","","has coordinates","220610","2020-10-21","18:00:00",""
"4033668","10.242","0.006","17.151","0.01","8.623","0.005","90","","104.422","0.008","90","","1467","1.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N -","- C18 H12 F3 N -","- C72 H48 F12 N4 -","4","1","","Wang, Zeng; You, Chenhui; Wang, Changfang; Weng, Zhiqiang","Perfluorocarboxylic Anhydrides Triggered Cyclization: A Simple Access to 4-Perfluoroalkylpyridines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02254","","","0.71073","MoKα","","0.0776","0.0629","","","0.1713","0.1818","","","","","","1.132","","","","has coordinates","220611","2020-10-21","18:00:00",""
"4033669","19.682","0.006","5.2523","0.0017","25.856","0.008","90","","112.28","0.005","90","","2473.3","1.3","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O5 -","- C32 H30 O5 -","- C128 H120 O20 -","4","1","","Arredondo, Vanessa; Roa, Daniel E.; Gutman, Eugene S.; Huynh, Nancy O.; Van Vranken, David L.","Total Synthesis of (±)-Brazilin using a [4+1] Palladium-Catalyzed Carbenylative Annulation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02343","","","0.71073","MoKα","","0.0778","0.0437","","","0.0846","0.0967","","","","","","1.012","","","","has coordinates,has disorder","220612","2020-10-21","18:00:00",""
"4033670","5.7431","0.0002","8.4432","0.0002","16.6662","0.0004","90","","90","","90","","808.15","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","","Becerril-Jiménez, Fabiola; Lussier, Tommy; Leblanc, Louis; Eymard, Carla; Dostie, Starr; Prévost, Michel; Guindon, Yvan","Photoredox-Catalyzed Stereoselective Radical Reactions to Synthesize Nucleoside Analogues with a C2'-Stereogenic All-Carbon Quaternary Center.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02374","","","1.54178","CuKα","","0.0317","0.0312","","","0.0829","0.0834","","","","","","1.052","","","","has coordinates","222148","2020-10-21","18:00:00",""
"4033671","9.1408","0.0012","14.6605","0.0019","21.357","0.003","90","","90.094","0.002","90","","2862","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O8 -","- C30 H31 N3 O8 -","- C120 H124 N12 O32 -","4","1","","Cerveri, Alessandro; Faza, Olalla Nieto; López, Carlos Silva; Grilli, Stefano; Monari, Magda; Bandini, Marco","Phosphine-Catalyzed Stereoselective Dearomatization of 3-NO<sub>2</sub>-Indoles with Allenoates.","The Journal of organic chemistry","2019","84","10","6347","6355","10.1021/acs.joc.9b00559","","","0.71073","MoKα","","0.0949","0.0684","","","0.1704","0.1851","","","","","","0.965","","","","has coordinates,has disorder","222247","2020-10-21","18:00:00",""
"4033672","9.1093","0.0011","16.8358","0.0016","9.1043","0.0009","90","","96.442","0.01","90","","1387.4","0.3","293","0.1","293","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Bellotti, Peter; Brocus, Julien; El Orf, Fatima; Selkti, Mohamed; König, Burkhard; Belmont, Philippe; Brachet, Etienne","Visible Light-Induced Regioselective Cycloaddition of Benzoyl Azides and Alkenes To Yield Oxazolines.","The Journal of organic chemistry","2019","84","10","6278","6285","10.1021/acs.joc.9b00568","","x-ray","0.71073","MoKα","","0.0936","0.0616","","","0.1341","0.1505","","","","","","1.08","","","","has coordinates","222248","2020-10-21","18:00:00",""
"4033673","10.2751","0.0019","11.8804","0.0018","15.351","0.003","71.794","0.005","70.703","0.006","84.139","0.005","1680.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 N3 O3 S Se -","- C17 H15 N3 O3 S Se -","- C68 H60 N12 O12 S4 Se4 -","4","2","","Shieh, Yi-Chen; Du, Kai; Basha, R. Sidick; Xue, Yung-Jing; Shih, Bo-Hao; Li, Liang; Lee, Chin-Fa","Syntheses of Thioethers and Selenide Ethers from Anilines.","The Journal of organic chemistry","2019","84","10","6223","6231","10.1021/acs.joc.9b00322","","x-ray","0.71073","MoKα","","0.1151","0.0959","","","0.2745","0.2868","","","","","","1.055","","","","has coordinates","222249","2020-10-21","18:00:00",""
"4033674","7.9889","0.0002","13.9286","0.0003","15.6096","0.0004","90","","90","","90","","1736.95","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 S -","- C15 H21 N3 O6 S -","- C60 H84 N12 O24 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0212","0.0211","","","0.055","0.0551","","","","","","1.047","","","","has coordinates","222250","2020-10-21","18:00:00",""
"4033675","34.9784","0.0003","5.04961","0.00005","9.52947","0.00011","90","","90","","90","","1683.16","0.03","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C84 H56 N16 O8 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0248","0.024","","","0.059","0.0595","","","","","","1.067","","","","has coordinates","222251","2020-10-21","18:00:00",""
"4033676","4.3901","0.0001","13.329","0.0003","12.9278","0.0003","90","","99.754","0.002","90","","745.54","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 I N3 -","- C7 H4 I N3 -","- C28 H16 I4 N12 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0321","0.0307","","","0.0793","0.0805","","","","","","1.052","","","","has coordinates","222252","2020-10-21","18:00:00",""
"4033677","4.7661","0.0001","15.9025","0.0004","10.47","0.0003","90","","96.973","0.002","90","","787.68","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F3 N3 -","- C8 H4 F3 N3 -","- C32 H16 F12 N12 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0364","0.0325","","","0.0922","0.0949","","","","","","1.05","","","","has coordinates,has disorder","222253","2020-10-21","18:00:00",""
"4033678","3.9963","0.0002","11.3522","0.0006","22.1872","0.0012","90","","93.619","0.004","90","","1004.55","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0508","0.0411","","","0.113","0.1188","","","","","","1.044","","","","has coordinates","222254","2020-10-21","18:00:00",""
"4033679","6.111","0.0003","16.2539","0.0009","26.4398","0.0013","90","","94.775","0.002","90","","2617.1","0.2","296","2","295.7","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl3 F N2 O4 S -","- C26 H20 Cl3 F N2 O4 S -","- C104 H80 Cl12 F4 N8 O16 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0843","0.0688","","","0.2022","0.2163","","","","","","1.069","","","","has coordinates","222255","2020-10-21","18:00:00",""
"4033680","11.1661","0.0008","8.1386","0.0006","23.507","0.0015","90","","90.591","0.006","90","","2136.1","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N3 O2 -","- C26 H18 Cl N3 O2 -","- C104 H72 Cl4 N12 O8 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0784","0.0492","","","0.1153","0.1354","","","","","","1.029","","","","has coordinates","222256","2020-10-21","18:00:00",""
"4033681","15.3464","0.0015","10.3631","0.0011","14.3374","0.0015","90","","99.042","0.01","90","","2251.8","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O5 S -","- C26 H22 N2 O5 S -","- C104 H88 N8 O20 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0721","0.0498","","","0.1214","0.1387","","","","","","1.034","","","","has coordinates","222257","2020-10-21","18:00:00",""
"4033682","6.911","0.0004","14.8847","0.0009","21.0989","0.0012","90","","90.882","0.005","90","","2170.1","0.2","149.6","","149.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 S -","- C26 H22 N2 O4 S -","- C104 H88 N8 O16 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0619","0.0443","","","0.1005","0.1132","","","","","","1.05","","","","has coordinates","222258","2020-10-21","18:00:00",""
"4033683","8.7165","0.0015","14.056","0.003","14.557","0.003","72.555","0.007","74.384","0.005","75.547","0.004","1610.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,8-Diallyl-deuteroporphyrin IX dimethyl ester","","- C38 H42 N4 O4 -","- C38 H42 N4 O4 -","- C76 H84 N8 O8 -","2","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.1305","0.0838","","","0.2295","0.2582","","","","","","1.046","","","","has coordinates,has disorder","222259","2020-10-21","18:00:00",""
"4033684","25.8161","0.001","8.5863","0.0003","32.5051","0.0012","90","","90","","90","","7205.2","0.5","100","","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,8-Diphenyl-deuteroporphyrin IX dimethyl ester","","- C44 H41.99 N4 O4 Pd0.01 -","- C44 H41.99 N4 O4 Pd0.01 -","- C352 H335.92 N32 O32 Pd0.08 -","8","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.0873","0.0555","","","0.1211","0.1362","","","","","","1.046","","","","has coordinates,has disorder","222260","2020-10-21","18:00:00",""
"4033685","12.1006","0.0015","11.2249","0.0014","20.34","0.003","90","","99.526","0.004","90","","2724.6","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 B N7 O3 P W -","- C23 H35 B N7 O3 P W -","- C92 H140 B4 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0168","0.0138","","","0.0317","0.0328","","","","","","1.06","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033686","10.5223","0.0008","22.0818","0.0017","12.526","0.0009","90","","94.715","0.001","90","","2900.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 B N7 O3 P W -","- C24 H39 B N7 O3 P W -","- C96 H156 B4 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0425","0.0274","","","0.0458","0.0493","","","","","","1.009","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033687","8.9012","0.0006","11.0642","0.0007","15.1042","0.001","103.849","0.001","104.746","0.001","99.213","0.002","1357.47","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H35 B N7 O3 P W -","- C23 H35 B N7 O3 P W -","- C46 H70 B2 N14 O6 P2 W2 -","2","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0151","0.0131","","","0.0298","0.0303","","","","","","1.05","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033688","9.1339","0.0009","10.4866","0.0011","11.61","0.0012","76.105","0.009","72.394","0.009","82.857","0.008","1027.33","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 F3 O5 -","- C23 H21 F3 O5 -","- C46 H42 F6 O10 -","2","1","","Shen, Yao-Bin; Li, Shuai-Shuai; Sun, Yun-Ming; Yu, Liping; Hao, Zhi-Hui; Liu, Qing; Xiao, Jian","Organocatalytic C(sp<sup>3</sup>)-H Functionalization of 5-Methyl-2,3-dihydrofuran Derivatives with Trifluoropyruvates via a Sequential exo-Tautomerization/Carbonyl-Ene Process.","The Journal of organic chemistry","2019","84","5","2779","2785","10.1021/acs.joc.8b03170","","","1.54184","CuKα","","0.0796","0.0476","","","0.0951","0.1128","","","","","","0.981","","","","has coordinates","222262","2020-10-21","18:00:00",""
"4033689","18.0117","0.0009","5.5154","0.0003","18.9813","0.0008","90","","117.213","0.002","90","","1676.92","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butylthio phenylthyoazolo indole","3-(butylthio)-2-phenylthyoazolo[3,2-a]indole","","- C20 H19 N S2 -","- C20 H19 N S2 -","- C80 H76 N4 S8 -","4","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi Fernando; Zeni, Gilson","Synthesis of 3-(Organochalcogen) Chalcogenazolo Indoles via Cascade Cyclization of N-Alkynylindoles.","The Journal of organic chemistry","2019","84","5","2891","2900","10.1021/acs.joc.9b00052","","","0.56086","AgKα","","0.0695","0.0499","","","0.1233","0.139","","","","","","1.097","","","","has coordinates","222263","2020-10-21","18:00:00",""
"4033690","10.3911","0.0005","11.0643","0.0009","14.6903","0.0012","79.994","0.006","81.269","0.006","78.371","0.005","1617.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","bis phenyl selenazole indole diselene","1,2-bis(2-phenyl-[1,3]selenazole[3,2-a]indole-3-il)diselene","","- C33 H24 Cl2 N2 O Se4 -","- C33 H24 Cl2 N2 O Se4 -","- C66 H48 Cl4 N4 O2 Se8 -","2","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi Fernando; Zeni, Gilson","Synthesis of 3-(Organochalcogen) Chalcogenazolo Indoles via Cascade Cyclization of N-Alkynylindoles.","The Journal of organic chemistry","2019","84","5","2891","2900","10.1021/acs.joc.9b00052","","","1.54178","CuKα","","0.045","0.0437","","","0.128","0.1291","","","","","","1.108","","","","has coordinates","222264","2020-10-21","18:00:00",""
"4033691","13.6561","0.0014","7.5404","0.001","20.07","0.002","90","","106.046","0.005","90","","1986.1","0.4","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C104 H76 N4 O16 -","4","1","","Wang, Lei G.; Munhenzva, Ian; Sibrian-Vazquez, Martha; Escobedo, Jorge O.; Kitts, Catherine H.; Fronczek, Frank R.; Strongin, Robert M.","Altering Fundamental Trends in the Emission of Xanthene Dyes.","The Journal of organic chemistry","2019","84","5","2585","2595","10.1021/acs.joc.8b03030","","","1.54178","CuKα","","0.057","0.039","","","0.093","0.102","","","","","","1.018","","","","has coordinates","222265","2020-10-21","18:00:00",""
"4033692","8.58","0.002","6.697","0.002","14.995","0.003","90","","94.59","0.03","90","","858.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C42 H38 N2 O6 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.0542","0.0425","","","0.0937","0.0993","","","","","","1.052","","","","has coordinates","222266","2020-10-21","18:00:00",""
"4033693","8.616","0.006","9.784","0.007","10.822","0.007","84.06","0.02","86.84","0.02","86.69","0.02","904.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N6 O6 S6 -","- C21 H19 N O3 S -","- C42 H38 N2 O6 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.3391","0.2206","","","0.4689","0.5284","","","","","","1.19","","","","has coordinates","222267","2020-10-21","18:00:00",""
"4033694","6.459","0.002","14.027","0.003","20.557","0.004","90","","93.01","0.03","90","","1859.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.1136","0.0608","","","0.1397","0.1683","","","","","","0.982","","","","has coordinates","222268","2020-10-21","18:00:00",""
"4033695","8.5519","0.0016","13.646","0.003","15.984","0.003","90","","100.924","0.003","90","","1831.5","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Zhu, Wenju; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Intramolecular Arylation of Tertiary Enamides through Pd(OAc)<sub>2</sub>-Catalyzed Dehydrogenative Cross-Coupling Reaction: Construction of Fused N-Heterocyclic Scaffolds and Synthesis of Isoindolobenzazepine Alkaloids.","The Journal of organic chemistry","2019","84","5","2870","2878","10.1021/acs.joc.9b00010","","","0.71073","MoKα","","0.0521","0.0502","","","0.119","0.1203","","","","","","1.162","","","","has coordinates","222269","2020-10-21","18:00:00",""
"4033696","15.012","0.005","7.022","0.002","15.989","0.005","90","","108.633","0.003","90","","1597.1","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Zhu, Wenju; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Intramolecular Arylation of Tertiary Enamides through Pd(OAc)<sub>2</sub>-Catalyzed Dehydrogenative Cross-Coupling Reaction: Construction of Fused N-Heterocyclic Scaffolds and Synthesis of Isoindolobenzazepine Alkaloids.","The Journal of organic chemistry","2019","84","5","2870","2878","10.1021/acs.joc.9b00010","","","0.71073","MoKα","","0.0587","0.0546","","","0.12","0.1225","","","","","","1.191","","","","has coordinates","222270","2020-10-21","18:00:00",""
"4033697","8.6589","0.0004","10.155","0.0006","9.1765","0.0005","90","","95.413","0.002","90","","803.3","0.07","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cl O4 -","- C7 H7 Cl O4 -","- C28 H28 Cl4 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.037","0.032","","","0.0863","0.0897","","","","","","1.08","","","","has coordinates,has disorder","222271","2020-10-21","18:00:00",""
"4033698","7.2292","0.0004","8.9578","0.0005","9.787","0.0005","103.405","0.002","109.383","0.002","103.08","0.002","548.9","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C9 H10 Cl2 O4 -","- C9 H10 Cl2 O4 -","- C18 H20 Cl4 O8 -","2","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0311","0.028","","","0.0703","0.0719","","","","","","1.076","","","","has coordinates","222272","2020-10-21","18:00:00",""
"4033699","15.6926","0.0008","8.2181","0.0004","17.5298","0.0009","90","","94.08","0.001","90","","2255","0.2","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl2 O4 -","- C9 H10 Cl2 O4 -","- C72 H80 Cl16 O32 -","8","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0401","0.0394","","","0.1063","0.1069","","","","","","1.054","","","","has coordinates","222273","2020-10-21","18:00:00",""
"4033700","8.3441","0.0006","8.7828","0.0006","12.8812","0.001","90","","106.715","0.002","90","","904.11","0.11","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl2 O4 -","- C7 H6 Cl2 O4 -","- C28 H24 Cl8 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0279","0.0236","","","0.0623","0.0644","","","","","","1.041","","","","has coordinates","222275","2020-10-21","18:00:00",""
"4033701","5.8299","0.0005","6.6662","0.0006","7.1505","0.0006","102.337","0.003","112.745","0.003","95.285","0.003","245.61","0.04","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C7 H5 Cl3 O4 -","- C7 H5 Cl3 O4 -","- C7 H5 Cl3 O4 -","1","0.5","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0402","0.0372","","","0.092","0.0939","","","","","","1.062","","","","has coordinates","222276","2020-10-21","18:00:00",""
"4033702","6.0545","0.0005","12.2773","0.0011","15.7597","0.0013","90","","91.388","0.004","90","","1171.12","0.17","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl3 O4 -","- C9 H9 Cl3 O4 -","- C36 H36 Cl12 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0605","0.0488","","","0.1238","0.1312","","","","","","1.086","","","","has coordinates","222277","2020-10-21","18:00:00",""
"4033703","12.3753","0.0011","12.0364","0.0011","21.8658","0.0019","90","","100.758","0.003","90","","3199.8","0.5","200","2","200","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Cl4 O4 -","- C7 H4 Cl4 O4 -","- C84 H48 Cl48 O48 -","12","1.5","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0554","0.0514","","","0.1326","0.136","","","","","","1.038","","","","has coordinates","222278","2020-10-21","18:00:00",""
"4033704","6.5932","0.0003","12.0844","0.0003","24.7934","0.0009","90","","97.03","0.003","90","","1960.56","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl0 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.0589","0.0484","","","0.1141","0.1201","","","","","","1.06","","","","has coordinates","222279","2020-10-21","18:00:00",""
"4033705","27.762","0.006","8.2","0.002","11.158","0.003","90","","91.106","0.019","90","","2539.6","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F N2 O S -","- C14 H9 F N2 O S -","- C112 H72 F8 N16 O8 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.0937","0.0631","","","0.1427","0.1675","","","","","","1.031","","","","has coordinates","222280","2020-10-21","18:00:00",""
"4033706","39.285","0.015","5.8249","0.0012","17.044","0.004","90","","91.05","0.03","90","","3899.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C168 H176 N16 O24 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.1667","0.1056","","","0.2176","0.2546","","","","","","1.076","","","","has coordinates","222281","2020-10-21","18:00:00",""
"4033707","11.3411","0.0006","18.519","0.0013","9.0419","0.0005","90","","90","","90","","1899","0.2","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0669","0.0487","","","0.0858","0.0938","","","","","","1.064","","","","has coordinates,has disorder","222282","2020-10-21","18:00:00",""
"4033708","9.3286","0.0004","11.5424","0.0005","17.6325","0.0008","90","","90","","90","","1898.57","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C96 H108 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0442","0.0382","","","0.0733","0.0768","","","","","","1.082","","","","has coordinates,has disorder","222283","2020-10-21","18:00:00",""
"4033709","9.7648","0.0004","9.8776","0.001","26.8081","0.0011","90","","90","","90","","2585.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br Fe N O2 -","- C31 H30 Br Fe N O2 -","- C124 H120 Br4 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.049","0.0395","","","0.0666","0.0702","","","","","","1.029","","","","has coordinates","222284","2020-10-21","18:00:00",""
"4033710","10.53","0.0003","7.9937","0.0003","11.1625","0.0003","90","","91.636","0.003","90","","939.21","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0329","","","0.0653","0.0669","","","","","","1.0479","","","","has coordinates","222285","2020-10-21","18:00:00",""
"4033711","8.8616","0.0003","11.156","0.0003","9.5963","0.0003","90","","93.548","0.002","90","","946.87","0.05","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C48 H54 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0282","0.0271","","","0.0613","0.0621","","","","","","1.052","","","","has coordinates","222286","2020-10-21","18:00:00",""
"4033712","9.3061","0.0003","13.2809","0.0004","15.7071","0.0005","90","","90","","90","","1941.29","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0673","0.0688","","","","","","1.088","","","","has coordinates","222287","2020-10-21","18:00:00",""
"4033713","7.423","0.0005","7.6677","0.0006","12.3124","0.0008","87.783","0.006","86.443","0.006","86.723","0.006","697.86","0.09","100.1","0.5","100.1","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 Fe O3 -","- C16 H18 Fe O3 -","- C32 H36 Fe2 O6 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0569","0.0476","","","0.1073","0.1142","","","","","","1.085","","","","has coordinates","222288","2020-10-21","18:00:00",""
"4033714","13.1271","0.0006","14.1243","0.0005","9.6969","0.0004","90","","96.527","0.004","90","","1786.26","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Fe N O -","- C23 H23 Fe N O -","- C92 H92 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0612","0.0533","","","0.1354","0.1409","","","","","","1.03","","","","has coordinates","222289","2020-10-21","18:00:00",""
"4033715","10.5422","0.0004","7.9944","0.0002","11.1408","0.0004","90","","91.54","0.003","90","","938.59","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0389","0.035","","","0.0699","0.0724","","","","","","1.04","","","","has coordinates","222290","2020-10-21","18:00:00",""
"4033716","9.2338","0.0004","12.0196","0.0006","16.6968","0.0007","90","","90","","90","","1853.12","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0453","0.0384","","","0.0731","0.077","","","","","","1.046","","","","has coordinates","222291","2020-10-21","18:00:00",""
"4033717","9.1397","0.0002","18.9143","0.0005","10.8778","0.0003","90","","90","","90","","1880.46","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0597","0.0613","","","","","","1.035","","","","has coordinates","222292","2020-10-21","18:00:00",""
"4033718","10.9629","0.0007","21.9497","0.0012","11.2186","0.0007","90","","109.088","0.007","90","","2551.1","0.3","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H17 Fe N O -","- C16 H17 Fe N O -","- C128 H136 Fe8 N8 O8 -","8","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0563","0.0498","","","0.129","0.1362","","","","","","1.062","","","","has coordinates","222293","2020-10-21","18:00:00",""
"4033719","8.5891","0.0001","15.2073","0.0002","30.365","0.0005","90","","90","","90","","3966.19","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O2.5 -","- C24 H26 Fe N O2.5 -","- C192 H208 Fe8 N8 O20 -","8","2","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","1.54184","CuKα","","0.0516","0.0429","","","0.0973","0.1019","","","","","","1.018","","","","has coordinates","222294","2020-10-21","18:00:00",""
"4033720","10.0109","0.0004","10.6354","0.0005","24.1206","0.0012","90","","90","","90","","2568.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Br Fe N O3 -","- C31 H28 Br Fe N O3 -","- C124 H112 Br4 Fe4 N4 O12 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.048","0.0363","","","0.0628","0.0665","","","","","","1.024","","","","has coordinates","222295","2020-10-21","18:00:00",""
"4033721","10.078","0.002","12.77","0.003","14.077","0.003","90","0.03","107.55","0.03","90","0.03","1727.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Karmakar, Ujjwal; Samanta, Rajarshi","Pd(II)-Catalyzed Direct Sulfonylation of Benzylamines Using Sodium Sulfinates.","The Journal of organic chemistry","2019","84","5","2850","2861","10.1021/acs.joc.8b03098","","","0.71073","MoKα","","0.0433","0.0341","","","0.091","0.0965","","","","","","1.037","","","","has coordinates","222296","2020-10-21","18:00:00",""
"4033722","6.964","0.0014","9.156","0.0018","31.185","0.006","90","","90","","90","","1988.4","0.7","100","0.2","100","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 N O10 S -","- C15 H31 N O10 S -","- C60 H124 N4 O40 S4 -","4","1","","Abayakoon, Palika; Epa, Ruwan; Petricevic, Marija; Bengt, Christopher; Mui, Janice W.-Y.; van der Peet, Phillip L.; Zhang, Yunyang; Lingford, James P.; White, Jonathan M.; Goddard-Borger, Ethan D; Williams, Spencer J.","Comprehensive Synthesis of Substrates, Intermediates, and Products of the Sulfoglycolytic Embden-Meyerhoff-Parnas Pathway.","The Journal of organic chemistry","2019","84","5","2901","2910","10.1021/acs.joc.9b00055","","","0.710878","Synchrotron","","0.0531","0.0465","","","0.1196","0.1276","","","","","","1.045","","","","has coordinates","222297","2020-10-21","18:00:00",""
"4033723","8.677","0.009","12.884","0.013","12.904","0.013","107.923","0.011","101.469","0.011","96.14","0.012","1323","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 B N3 O -","- C28 H32 B N3 O -","- C56 H64 B2 N6 O2 -","2","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.1199","0.0875","","","0.2026","0.2084","","","","","","3.928","","","","has coordinates","222298","2020-10-21","18:00:00",""
"4033724","8.6479","0.001","10.0827","0.0012","11.46","0.0014","70.946","0.001","77.107","0.001","77.538","0.001","909.54","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 B F N2 O -","- C22 H18 B F N2 O -","- C44 H36 B2 F2 N4 O2 -","2","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.051","0.0401","","","0.1233","0.136","","","","","","1.005","","","","has coordinates","222299","2020-10-21","18:00:00",""
"4033725","17.46","0.04","17.46","0.04","48.78","0.1","90","","90","","120","","12878","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H30 B F N2 -","- C28 H30 B F N2 -","- C504 H540 B18 F18 N36 -","18","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71076","MoKα","","0.0925","0.064","","","0.1689","0.1875","","","","","","1.032","","","","has coordinates","222300","2020-10-21","18:00:00",""
"4033726","9.0174","0.0009","17.3665","0.0017","11.4288","0.0011","90","","104.159","0.001","90","","1735.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B F N2 -","- C19 H20 B F N2 -","- C76 H80 B4 F4 N8 -","4","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.0656","0.0489","","","0.1443","0.1562","","","","","","1.424","","","","has coordinates","222301","2020-10-21","18:00:00",""
"4033727","8.9804","0.0004","9.2764","0.0004","10.1223","0.0004","75.653","0.002","85.6189","0.0019","69.2243","0.0018","763.76","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Sihag, Pinki; Jeganmohan, Masilamani","Regioselective Synthesis of Isocoumarins via Iridium(III)-Catalyzed Oxidative Cyclization of Aromatic Acids with Propargyl Alcohols.","The Journal of organic chemistry","2019","84","5","2699","2712","10.1021/acs.joc.8b03077","","","0.71073","MoKα","","0.0441","0.0367","","","0.0985","0.1061","","","","","","1.034","","","","has coordinates","222302","2020-10-21","18:00:00",""
"4033728","8.6696","0.0005","16.0188","0.0011","11.0129","0.0007","90","","106.132","0.003","90","","1469.21","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Sihag, Pinki; Jeganmohan, Masilamani","Regioselective Synthesis of Isocoumarins via Iridium(III)-Catalyzed Oxidative Cyclization of Aromatic Acids with Propargyl Alcohols.","The Journal of organic chemistry","2019","84","5","2699","2712","10.1021/acs.joc.8b03077","","","0.71073","MoKα","","0.0453","0.035","","","0.0854","0.0937","","","","","","1.045","","","","has coordinates","222303","2020-10-21","18:00:00",""
"4033729","9.5866","0.0005","24.3205","0.0011","9.5513","0.0004","90","","90","","90","","2226.89","0.18","205","","205","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","1","","Yang, Min; Li, Xiao-Lu; Wang, Jian-Rong; Lei, Xinxiang; Tang, Wei; Li, Xu-Wen; Sun, Han; Guo, Yue-Wei","Sarcomililate A, an Unusual Diterpenoid with Tricyclo[11.3.0.0<sup>2,16</sup>]hexadecane Carbon Skeleton, and Its Potential Biogenetic Precursors from the Hainan Soft Coral Sarcophyton mililatensis.","The Journal of organic chemistry","2019","84","5","2568","2576","10.1021/acs.joc.8b03020","","","1.54178","CuKα","","0.0428","0.0394","","","0.1099","0.1126","","","","","","1.063","","","","has coordinates","222304","2020-10-21","18:00:00",""
"4033730","22.736","0.004","8.2462","0.0011","8.0625","0.0011","90","","90","","90","","1511.6","0.4","93","2","93","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C64 H84 N20 -","4","0.25","","Watanabe, Hiroyuki; Tanaka, Kazuo; Chujo, Yoshiki","Independently Tuned Frontier Orbital Energy Levels of 1,3,4,6,9b-Pentaazaphenalene Derivatives by the Conjugation Effect.","The Journal of organic chemistry","2019","84","5","2768","2778","10.1021/acs.joc.8b03161","","","0.71075","MoKα","","0.1055","0.0702","","","0.1713","0.1899","","","","","","1.052","","","","has coordinates","222305","2020-10-21","18:00:00",""
"4033731","7.4745","0.0003","9.6998","0.0004","20.0096","0.001","80.839","0.004","85.378","0.004","67.764","0.004","1325.38","0.11","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 Cl N O6 Si -","- C26 H32 Cl N O6 Si -","- C52 H64 Cl2 N2 O12 Si2 -","2","2","","Chowdhury, Raghunath; Dubey, Akhil K.; Ghosh, Sunil K.","Ag(I)-Fesulphos-Catalyzed Enantioselective Synthesis of 3-Silylproline Derivatives.","The Journal of organic chemistry","2019","84","5","2404","2414","10.1021/acs.joc.8b02412","","x-ray","0.71073","MoKα","","0.1364","0.0947","","","0.2179","0.2732","","","","","","1.098","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033732","10.0953","0.0011","9.8179","0.001","17.3039","0.0018","90","","103.462","0.002","90","","1667.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O -","- C22 H15 N3 O -","- C88 H60 N12 O4 -","4","1","","Zhang, Yetong; Shao, Yinlin; Gong, Julin; Zhu, Jianghe; Cheng, Tianxing; Chen, Jiuxi","Selenium-Catalyzed Oxidative C-H Amination of ( E)-3-(Arylamino)-2-styrylquinazolin-4(3 H)-ones: A Metal-Free Synthesis of 1,2-Diarylpyrazolo[5,1- b]quinazolin-9(1 H)-ones.","The Journal of organic chemistry","2019","84","5","2798","2807","10.1021/acs.joc.8b03179","","","0.71073","MoKα","","0.0398","0.0363","","","0.1033","0.1056","","","","","","1.064","","","","has coordinates","222307","2020-10-21","18:00:00",""
"4033733","16.99","0.002","7.8789","0.001","31.404","0.005","90","","105.229","0.004","90","","4056.2","1","301","2","301.58","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 I N3 O -","- C23 H18 I N3 O -","- C184 H144 I8 N24 O8 -","8","1","","Zhang, Yetong; Shao, Yinlin; Gong, Julin; Zhu, Jianghe; Cheng, Tianxing; Chen, Jiuxi","Selenium-Catalyzed Oxidative C-H Amination of ( E)-3-(Arylamino)-2-styrylquinazolin-4(3 H)-ones: A Metal-Free Synthesis of 1,2-Diarylpyrazolo[5,1- b]quinazolin-9(1 H)-ones.","The Journal of organic chemistry","2019","84","5","2798","2807","10.1021/acs.joc.8b03179","","","0.71073","MoKα","","0.091","0.0562","","","0.1468","0.1731","","","","","","1.038","","","","has coordinates,has disorder","222308","2020-10-21","18:00:00",""
"4033734","7.326","0.002","9.882","0.003","13.685","0.004","106.563","0.004","92.469","0.004","107.893","0.004","894.4","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Shu, Wen-Ming; He, Jian-Xin; Zhang, Xun-Fang; Wang, Shuai; Wu, An-Xin","TFA-Mediated DMSO-Participant Sequential Oxidation/1,3-Dipolar Cycloaddition Cascade of Pyridinium Ylides for the Assembly of Indolizines.","The Journal of organic chemistry","2019","84","5","2962","2968","10.1021/acs.joc.8b02755","","","0.71073","MoKα","","0.0847","0.0562","","","0.1676","0.1914","","","","","","1.033","","","","has coordinates","222309","2020-10-21","18:00:00",""
"4033735","10.1007","0.0004","11.0329","0.0005","12.8754","0.0005","114.896","0.004","108.439","0.004","94.763","0.003","1195.08","0.11","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 B0.25 Cl0.25 F0.25 N2 O3 -","- C14.5 H8.5 B0.5 Cl F N O1.5 -","- C58 H34 B2 Cl4 F4 N4 O6 -","4","2","","Belmonte-Vázquez, José L; Avellanal-Zaballa, Edurne; Enríquez-Palacios, Ernesto; Cerdán, Luis; Esnal, Ixone; Bañuelos, Jorge; Villegas-Gómez, Clarisa; López Arbeloa, Iñigo; Peña-Cabrera, Eduardo","Synthetic Approach to Readily Accessible Benzofuran-Fused Borondipyrromethenes as Red-Emitting Laser Dyes.","The Journal of organic chemistry","2019","84","5","2523","2541","10.1021/acs.joc.8b02933","","","1.54184","CuKα","","0.1237","0.1175","","","0.3849","0.4047","","","","","","1.92","","","","has coordinates","222310","2020-10-21","18:00:00",""
"4033736","6.918","0.0004","13.6514","0.0008","11.8495","0.0007","90","","105.322","0.003","90","","1079.3","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Ghotekar, Ganesh S.; Shaikh, Aslam C.; Muthukrishnan, M.","Transition-Metal-Free Benzannulation of Tricarbonyl Derivatives with Arynes: Access to 1,3-Dinaphthol Precursors for the Synthesis of Rhodamine Dye Analogues.","The Journal of organic chemistry","2019","84","4","2269","2276","10.1021/acs.joc.8b02560","","","0.71073","MoKα","","0.0927","0.0775","","","0.1877","0.1977","","","","","","1.122","","","","has coordinates","222311","2020-10-21","18:00:00",""
"4033737","8.3641","0.0003","11.0149","0.0004","12.0162","0.0007","111.834","0.003","108.756","0.003","98.247","0.002","928.48","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 N3 O4 -","- C25 H12 N3 O4 -","- C50 H24 N6 O8 -","2","1","","Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Redox Cascades and Making of a C-C Bond: 1,2-Benzodiazinyl Radicals and a Copper Complex of a Benzodiazine.","The Journal of organic chemistry","2019","84","4","1871","1881","10.1021/acs.joc.8b02858","","","0.71073","MoKα","","0.094","0.0607","","","0.1499","0.166","","","","","","1.18","","","","has coordinates","222312","2020-10-21","18:00:00",""
"4033738","13.5237","0.0006","21.5116","0.001","16.3696","0.0007","90","","97.649","0.002","90","","4719.8","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C113 H82 Cu2 N4 O7 P4 -","- C113 H82 Cu2 N4 O7 P4 -","- C226 H164 Cu4 N8 O14 P8 -","2","0.5","","Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Redox Cascades and Making of a C-C Bond: 1,2-Benzodiazinyl Radicals and a Copper Complex of a Benzodiazine.","The Journal of organic chemistry","2019","84","4","1871","1881","10.1021/acs.joc.8b02858","","","0.71073","MoKα","","0.0612","0.0471","","","0.1232","0.1395","","","","","","1.172","","","","has coordinates,has disorder","222313","2020-10-21","18:00:00",""
"4033739","12.5381","0.0011","12.1234","0.0011","21.6325","0.0019","90","","90","","90","","3288.2","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 Cl N O -","- C19 H16 Cl N O -","- C152 H128 Cl8 N8 O8 -","8","2","","Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua","Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.","The Journal of organic chemistry","2019","84","4","2297","2306","10.1021/acs.joc.8b02889","","","0.71073","MoKα","","0.1494","0.0624","","","0.1065","0.1301","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033740","9.3074","0.0013","9.6932","0.0014","12.3596","0.0018","92.194","0.005","93.218","0.005","96.83","0.005","1104.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C56 H48 N4 O6 -","2","1","","Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua","Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.","The Journal of organic chemistry","2019","84","4","2297","2306","10.1021/acs.joc.8b02889","","","0.71073","MoKα","","0.0624","0.0437","","","0.1029","0.112","","","","","","1.013","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033741","9.1649","0.0013","10.6661","0.0015","19.06","0.003","90","","90","","90","","1863.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N3 O4 -","- C20 H17 F2 N3 O4 -","- C80 H68 F8 N12 O16 -","4","1","","Liu, Jin; Li, Qi; Cao, Zheng-Mao; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of Morita-Baylis-Hillman Acetates with 1,1-Enediamines or Heterocyclic Ketene Aminals: Synthesis of Highly Functionalized 2-Aminopyrroles.","The Journal of organic chemistry","2019","84","4","1797","1807","10.1021/acs.joc.8b02594","","","0.71073","MoKα","","0.0695","0.0394","","","0.0799","0.0897","","","","","","0.956","","","","has coordinates","222316","2020-10-21","18:00:00",""
"4033742","13.34","0.003","16.49","0.006","16.496","0.003","64.74","0.012","82","0.03","81.992","0.016","3236.9","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C136 H152 N24 O32 -","8","4","","Liu, Jin; Li, Qi; Cao, Zheng-Mao; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of Morita-Baylis-Hillman Acetates with 1,1-Enediamines or Heterocyclic Ketene Aminals: Synthesis of Highly Functionalized 2-Aminopyrroles.","The Journal of organic chemistry","2019","84","4","1797","1807","10.1021/acs.joc.8b02594","","","0.71073","MoKα","","0.1734","0.0731","","","0.2024","0.2284","","","","","","0.99","","","","has coordinates","222317","2020-10-21","18:00:00",""
"4033743","7.6014","0.0003","11.0951","0.0004","21.1486","0.001","90","","90","","90","","1783.64","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0688","0.0647","","0.1598","0.1549","0.1549","","","","","","0.9294","","","","has coordinates","222318","2020-10-21","18:00:00",""
"4033744","7.6061","0.0003","11.0989","0.0003","21.165","0.0007","90","","90","","90","","1786.74","0.1","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0532","0.0497","","","0.1324","0.135","","","","","","1.125","","","","has coordinates,has disorder","222319","2020-10-21","18:00:00",""
"4033745","14.984","0.003","7.7036","0.0014","15.893","0.002","90","","96.609","0.009","90","","1822.3","0.5","150","","150","","","","","","","","synthetic","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 F5 -","- C26 H13 F5 -","- C104 H52 F20 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0883","0.0504","","0.1099","0.0975","0.0975","","","","","","1","","","","has coordinates","222320","2020-10-21","18:00:00",""
"4033746","11.0004","0.0006","21.2412","0.0012","7.9354","0.0004","90","","105.702","0.002","90","","1785","0.17","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F8 -","- C26 H8 F8 -","- C104 H32 F32 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0608","0.0413","","0.1049","0.0962","0.0962","","","","","","1.0018","","","","has coordinates","222321","2020-10-21","18:00:00",""
"4033747","7.6059","0.0002","11.0958","0.0003","21.1436","0.0007","90","","90","","90","","1784.38","0.09","121","2","121","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0551","0.0495","","","0.1185","0.1216","","","","","","1.118","","","","has coordinates,has disorder","222322","2020-10-21","18:00:00",""
"4033748","8.4109","0.0004","10.9387","0.0004","28.7518","0.0013","90","","90","","90","","2645.3","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Si -","- C30 H34 Si -","- C120 H136 Si4 -","4","1","","Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz","Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.","The Journal of organic chemistry","2019","84","4","2358","2365","10.1021/acs.joc.8b03143","","x-ray","0.71073","MoKα","","0.0486","0.04","","","0.1028","0.1096","","","","","","1.046","","","","has coordinates","222323","2020-10-21","18:00:00",""
"4033749","7.1974","0.0005","8.1606","0.0007","16.5692","0.001","82.517","0.006","83.519","0.005","77.911","0.007","939.82","0.12","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 Si -","- C24 H22 Si -","- C48 H44 Si2 -","2","1","","Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz","Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.","The Journal of organic chemistry","2019","84","4","2358","2365","10.1021/acs.joc.8b03143","","x-ray","0.71073","MoKα","","0.0479","0.0388","","","0.0934","0.0986","","","","","","1.054","","","","has coordinates","222324","2020-10-21","18:00:00",""
"4033750","13.014","0.0019","6.953","0.0006","14.952","0.002","90","","95.305","0.012","90","","1347.2","0.3","210","2","210","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-hydroxy-2-methylbenzonitrile","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","1","","Sardarian, Ali Reza; Dindarloo Inaloo, Iman; Modarresi-Alam, Ali Reza; Kleinpeter, Erich; Schilde, Uwe","Metal-Free Regioselective Monocyanation of Hydroxy-, Alkoxy-, and Benzyloxyarenes by Potassium Thiocyanate and Silica Sulfuric Acid as a Cyanating Agent.","The Journal of organic chemistry","2019","84","4","1748","1756","10.1021/acs.joc.8b02191","","","0.71073","MoKα","","0.0363","0.0318","","","0.0915","0.0941","","","","","","1.081","","","","has coordinates","222325","2020-10-21","18:00:00",""
"4033751","7.5827","0.0012","18.634","0.003","11.1673","0.0018","90","","90","","90","","1577.9","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Wang, Quannan; Lou, Jiang; Huang, Zilong; Yu, Zhengkun","Rhodium(III)-Catalyzed Annulation of Acetophenone O-Acetyl Oximes with Allenoates through Arene C-H Activation: An Access to Isoquinolines.","The Journal of organic chemistry","2019","84","4","2083","2092","10.1021/acs.joc.8b03092","","","0.71073","MoKα","","0.1038","0.0663","","","0.182","0.2208","","","","","","1.027","","","","has coordinates,has disorder","222326","2020-10-21","18:00:00",""
"4033752","11.8124","0.0004","10.593","0.0004","11.7212","0.0004","90","","115.715","0.001","90","","1321.41","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Mane, Kishor D.; Mukherjee, Anagh; Vanka, Kumar; Suryavanshi, Gurunath","Metal-Free Regioselective Cross Dehydrogenative Coupling of Cyclic Ethers and Aryl Carbonyls.","The Journal of organic chemistry","2019","84","4","2039","2047","10.1021/acs.joc.8b03048","","","0.71073","MoKα","","0.0412","0.0384","","","0.1051","0.1076","","","","","","1.063","","","","has coordinates","222327","2020-10-21","18:00:00",""
"4033753","18.22","0.004","23.595","0.005","8.884","0.002","90","","90","","90","","3819.2","1.4","297","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H18 Cl F N2 -","- C24 H18 Cl F N2 -","- C192 H144 Cl8 F8 N16 -","8","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.1006","0.0448","","","0.1068","0.1252","","","","","","0.994","","","","has coordinates","222328","2020-10-21","18:00:00",""
"4033754","10.739","0.005","11.862","0.005","18.168","0.008","90","","96.767","0.008","90","","2298.2","1.8","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N2 O2 -","- C30 H19 Cl N2 O2 -","- C120 H76 Cl4 N8 O8 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.1238","0.0488","","","0.127","0.1808","","","","","","0.908","","","","has coordinates","222329","2020-10-21","18:00:00",""
"4033755","15.117","0.002","7.2213","0.0011","19.403","0.003","90","","96.412","0.002","90","","2104.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F N3 O2 -","- C25 H20 F N3 O2 -","- C100 H80 F4 N12 O8 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.0816","0.0444","","","0.1165","0.1359","","","","","","0.924","","","","has coordinates","222330","2020-10-21","18:00:00",""
"4033756","15.103","0.0005","12.2789","0.0003","16.4063","0.0012","90","","95.27","0.007","90","","3029.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B F2 N4 O3 -","- C32 H39 B F2 N4 O3 -","- C128 H156 B4 F8 N16 O12 -","4","1","","Didukh, Natalia O.; Yakubovskyi, Viktor P.; Zatsikha, Yuriy V.; Rohde, Gregory T.; Nemykin, Victor N.; Kovtun, Yuriy P.","Flexible BODIPY Platform That Offers an Unexpected Regioselective Heterocyclization Reaction toward Preparation of 2-Pyridone[ a]-Fused BODIPYs.","The Journal of organic chemistry","2019","84","4","2133","2147","10.1021/acs.joc.8b03119","","","1.54187","CuKα","","0.2199","0.0948","","","0.2034","0.2937","","","","","","0.918","","","","has coordinates","222331","2020-10-21","18:00:00",""
"4033757","10.2762","0.0006","12.0264","0.0005","15.3863","0.0009","90","","107.183","0.007","90","","1816.65","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F4 N O4 S -","- C20 H11 F4 N O4 S -","- C80 H44 F16 N4 O16 S4 -","4","1","","Shaikh, Aslam C.; Varma, Mokshada E.; Mule, Ravindra D.; Banerjee, Somsuvra; Kulkarni, Prasad P.; Patil, Nitin T.","Ionic Pyridinium-Oxazole Dyads: Design, Synthesis, and Application in Mitochondrial Imaging.","The Journal of organic chemistry","2019","84","4","1766","1777","10.1021/acs.joc.8b02528","","x-ray","0.71073","MoKα","","0.0627","0.0473","","","0.1105","0.1208","","","","","","1.016","","","","has coordinates","222332","2020-10-21","18:00:00",""
"4033758","17.6979","0.0007","14.683","0.0005","18.0759","0.0009","90","","102.211","0.004","90","","4590.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 N O -","- C26 H35 N O -","- C208 H280 N8 O8 -","8","1","","Lv, Xintong; Hu, Fangzhi; Duan, Kang; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian","Aromatization-Driven Cascade [1,5]-Hydride Transfer/Spirocyclization Promoted by Fluorinated Alcohols.","The Journal of organic chemistry","2019","84","4","1833","1844","10.1021/acs.joc.8b02754","","","1.54184","CuKα","","0.0859","0.0658","","","0.182","0.1988","","","","","","1.065","","","","has coordinates","222333","2020-10-21","18:00:00",""
"4033759","11.3002","0.0013","7.7195","0.0011","13.2835","0.0018","90","","104.288","0.005","90","","1122.9","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F N O3 -","- C14 H8 F N O3 -","- C56 H32 F4 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael","Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides.","The Journal of organic chemistry","2019","84","4","1898","1907","10.1021/acs.joc.8b02899","","x-ray","0.71073","MoKα","","0.0629","0.0429","","","0.099","0.1091","","","","","","1.027","","","","has coordinates","222334","2020-10-21","18:00:00",""
"4033760","10.8718","0.0014","8.0647","0.0012","13.948","0.002","90","","103.979","0.005","90","","1186.7","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael","Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides.","The Journal of organic chemistry","2019","84","4","1898","1907","10.1021/acs.joc.8b02899","","x-ray","0.71073","MoKα","","0.0906","0.0547","","","0.1204","0.1349","","","","","","1.071","","","","has coordinates","222335","2020-10-21","18:00:00",""
"4033761","13.232","0.002","9.075","0.001","15.852","0.003","90","","113.34","0.02","90","","1747.7","0.5","120","2","120.1","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(tert-Butylphenylphosphinoyl)-1,2,3,4-tetrahydro-naphthalen-1-ol","","- C20 H25 O2 P -","- C20 H25 O2 P -","- C80 H100 O8 P4 -","4","1","","Frynas, Sławomir; Łastawiecka, Elżbieta; Kozioł, Anna E; Flis, Anna; Pietrusiewicz, K Michał","[4 + 2] Cycloaddition of Vinylphosphine Oxides to α-Oxy- o-xylylene as a route to Phosphorylated Naphthyl and Biaryl Scaffolds.","The Journal of organic chemistry","2019","84","4","1818","1832","10.1021/acs.joc.8b02659","","x-ray","1.54184","CuKα","","0.0497","0.038","","","0.1005","0.1135","","","","","","1.116","","","","has coordinates","222336","2020-10-21","18:00:00",""
"4033762","8.151","0.001","11.163","0.001","12.884","0.001","92.9","0.02","108.43","0.02","108.82","0.02","1037.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-methyl-3'-(methylphenylphosphinoyl)-[1,2']binaphthalen","","- C28 H23 O P -","- C28 H23 O P -","- C56 H46 O2 P2 -","2","1","","Frynas, Sławomir; Łastawiecka, Elżbieta; Kozioł, Anna E; Flis, Anna; Pietrusiewicz, K Michał","[4 + 2] Cycloaddition of Vinylphosphine Oxides to α-Oxy- o-xylylene as a route to Phosphorylated Naphthyl and Biaryl Scaffolds.","The Journal of organic chemistry","2019","84","4","1818","1832","10.1021/acs.joc.8b02659","","x-ray","1.54184","CuKα","","0.0937","0.0694","","","0.2091","0.2639","","","","","","1.147","","","","has coordinates","222337","2020-10-21","18:00:00",""
"4033763","8.2011","0.0002","11.834","0.0002","12.8962","0.0002","103.174","0.001","97.585","0.001","100.164","0.001","1180.01","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","jslm423c","","","- C26 H36 O Sn -","- C26 H36 O Sn -","- C52 H72 O2 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0318","0.0264","","","0.0519","0.0533","","","","","","1.032","","","","has coordinates","222338","2020-10-21","18:00:00",""
"4033764","8.9654","0.0002","13.7149","0.0003","17.4475","0.0004","109.312","0.001","98.622","0.001","100.714","0.001","1936.94","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","jslm421c","","","- C22 H28 O Sn -","- C22 H28 O Sn -","- C88 H112 O4 Sn4 -","4","2","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0369","0.0252","","","0.0518","0.0551","","","","","","1.029","","","","has coordinates","222339","2020-10-21","18:00:00",""
"4033765","8.5486","0.0002","9.457","0.0002","13.5496","0.0004","104.987","0.002","102.052","0.002","105.996","0.002","969.81","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL155.19","","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C46 H48 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0577","0.0407","","","0.0932","0.0998","","","","","","1.063","","","","has coordinates","222340","2020-10-21","18:00:00",""
"4033766","6.3661","0.001","11.643","0.002","19.66","0.002","90","","92.225","0.001","90","","1456.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O2 Sn -","- C15 H22 O2 Sn -","- C60 H88 O8 Sn4 -","4","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0215","0.0181","","","0.04","0.0411","","","","","","1.071","","","","has coordinates","222341","2020-10-21","18:00:00",""
"4033767","6.496","0.005","9.534","0.005","14.051","0.005","80.55","0.005","85.234","0.005","88.217","0.005","855.3","0.9","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H22 O2 Sn -","- C19 H22 O2 Sn -","- C38 H44 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0374","0.0325","","","0.0828","0.0858","","","","","","1.067","","","","has coordinates","222342","2020-10-21","18:00:00",""
"4033768","9.8186","0.0007","14.6173","0.0007","17.1072","0.0011","90","","99.379","0.002","90","","2422.4","0.3","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","JSRL496.Rx","","","- C32 H28 O4 -","- C32 H28 O4 -","- C128 H112 O16 -","4","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0898","0.0495","","","0.1051","0.1227","","","","","","1.037","","","","has coordinates","222343","2020-10-21","18:00:00",""
"4033769","13.2165","0.0009","11.0383","0.0008","19.3944","0.0013","90","","99.147","0.004","90","","2793.4","0.3","100","2","100","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","Dimethyl trans-1,4-dimethyl-1,4-dihydronaphthalene-1,4-dicarboxylate","","- C16 H18 O4 -","- C16 H18 O4 -","- C128 H144 O32 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0551","0.0375","","","0.0852","0.0941","","","","","","1.044","","","","has coordinates","222344","2020-10-21","18:00:00",""
"4033770","7.8075","0.0002","8.5765","0.0002","13.6373","0.0004","76.778","0.001","79.794","0.002","70.097","0.001","830.93","0.04","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0672","0.0437","","","0.0982","0.1103","","","","","","1.049","","","","has coordinates","222345","2020-10-21","18:00:00",""
"4033771","8.7541","0.0005","14.8903","0.0009","8.3727","0.0004","90","","109.708","0.003","90","","1027.46","0.1","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","JSRL494.Rx","","","- C24 H28 O4 -","- C24 H28 O4 -","- C48 H56 O8 -","2","0.5","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0679","0.0462","","","0.1169","0.1279","","","","","","1.13","","","","has coordinates","222346","2020-10-21","18:00:00",""
"4033772","17.744","0.005","6.791","0.002","24.079","0.008","90","","90","","90","","2901.5","1.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 Sn -","- C15 H20 O2 Sn -","- C120 H160 O16 Sn8 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0458","0.0287","","","0.0591","0.0651","","","","","","1.032","","","","has coordinates","222347","2020-10-21","18:00:00",""
"4033773","7.8587","0.0002","8.7834","0.0002","12.8731","0.0003","75.532","0.001","81.538","0.001","85.221","0.002","850.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL147","","","- C19 H24 O2 Sn -","- C19 H24 O2 Sn -","- C38 H48 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.024","0.0213","","","0.0477","0.0485","","","","","","1.043","","","","has coordinates","222348","2020-10-21","18:00:00",""
"4033774","7.6944","0.0001","8.8116","0.0002","12.8831","0.0003","75.06","0.001","83.844","0.001","85.42","0.001","837.84","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL158","","","- C19 H22 O2 Sn -","- C19 H22 O2 Sn -","- C38 H44 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0299","0.0252","","","0.0535","0.0549","","","","","","1.036","","","","has coordinates","222349","2020-10-21","18:00:00",""
"4033775","18.42","0.02","7.773","0.01","27.24","0.04","90","","94.216","0.013","90","","3890","9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 N3 -","- C27 H19 N3 -","- C216 H152 N24 -","8","1","","Omura, Yuta; Tachi, Yoshimitsu; Okada, Keiji; Kozaki, Masatoshi","Synthesis and Properties of Nitrogen-Containing Pyrenes.","The Journal of organic chemistry","2019","84","4","2032","2038","10.1021/acs.joc.8b02962","","","0.71075","MoKα","","0.0929","0.0614","","","0.1476","0.1657","","","","","","1.093","","","","has coordinates","222350","2020-10-21","18:00:00",""
"4033776","8.085","0.0002","9.7409","0.0003","13.8853","0.0003","88.792","0.002","80.674","0.002","78.623","0.003","1057.81","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N5 -","- C26 H21 N5 -","- C52 H42 N10 -","2","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0472","0.0399","","","0.1046","0.1098","","","","","","1.032","","","","has coordinates","222351","2020-10-21","18:00:00",""
"4033777","11.3428","0.0006","11.4979","0.0005","17.2272","0.0007","90.152","0.003","93.927","0.004","97.454","0.004","2222.38","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","2","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0971","0.0721","","","0.2015","0.2213","","","","","","1.06","","","","has coordinates","222352","2020-10-21","18:00:00",""
"4033778","7.6472","0.0002","13.1667","0.0004","20.5771","0.0007","90","","90","","90","","2071.88","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C100 H72 F12 N12 O4 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1014","0.1042","","","","","","1.053","","","","has coordinates","222353","2020-10-21","18:00:00",""
"4033779","9.6497","0.0006","20.2453","0.001","9.9639","0.0006","90","","104.568","0.006","90","","1883.98","0.19","293","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","0.71073","MoKα","","0.1114","0.0589","","","0.1293","0.1529","","","","","","1.021","","","","has coordinates","222354","2020-10-21","18:00:00",""
"4033780","15.212","0.0006","9.2803","0.0003","10.3264","0.0003","90","","90","","90","","1457.8","0.09","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C64 H48 F12 N4 O8 -","4","1","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0492","0.0471","","","0.144","0.1492","","","","","","1.173","","","","has coordinates","222355","2020-10-21","18:00:00",""
"4033781","9.9466","0.001","11.2291","0.0005","11.3124","0.0006","90.294","0.004","112.968","0.009","96.803","0.006","1153.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N8 Pd -","- C28 H40 N8 Pd -","- C28 H40 N8 Pd -","1","0.5","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0636","0.0536","","","0.1566","0.1671","","","","","","1.083","","","","has coordinates","222356","2020-10-21","18:00:00",""
"4033782","11.132","0.0012","11.8213","0.0011","18.4912","0.0016","74.933","0.008","75.154","0.009","63.737","0.01","2078.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F6 N O2 -","- C23 H15 F6 N O2 -","- C92 H60 F24 N4 O8 -","4","2","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0909","0.0705","","","0.2049","0.2356","","","","","","1.054","","","","has coordinates","222357","2020-10-21","18:00:00",""
"4033783","7.3847","0.001","8.4879","0.0012","18.625","0.003","90","","100.016","0.002","90","","1149.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F3 N O2 -","- C12 H8 F3 N O2 -","- C48 H32 F12 N4 O8 -","4","1","","Xiao, Pan; Schlinquer, Claire; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel","Synthesis of α-Trifluoromethylacrylates by Ligand-Free Palladium-Catalyzed Mizoroki-Heck Reaction.","The Journal of organic chemistry","2019","84","4","2072","2082","10.1021/acs.joc.8b03085","","x-ray","0.71073","MoKα","","0.0614","0.0486","","","0.1269","0.1415","","","","","","1.036","","","","has coordinates","222358","2020-10-21","18:00:00",""
"4033784","11.0461","0.0018","17.852","0.003","8.7609","0.0014","90","","109.569","0.019","90","","1627.8","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.1674","0.0986","","","0.2474","0.2961","","","","","","1.193","","","","has coordinates","222359","2020-10-21","18:00:00",""
"4033785","20.1905","0.0009","15.9988","0.0006","9.2004","0.0003","90","","90","","90","","2971.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H28 N6 O3 -","- C36 H28 N6 O3 -","- C144 H112 N24 O12 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.0483","0.0417","","","0.0964","0.1015","","","","","","1.044","","","","has coordinates","222360","2020-10-21","18:00:00",""
"4033786","9.4306","0.001","19.0359","0.0018","8.6514","0.001","90","","111.783","0.013","90","","1442.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F3 N2 O2 -","- C18 H9 F3 N2 O2 -","- C72 H36 F12 N8 O8 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.0843","0.0556","","","0.121","0.1419","","","","","","1.035","","","","has coordinates","222361","2020-10-21","18:00:00",""
"4033787","8.5514","0.001","9.1709","0.0009","11.9633","0.0013","106.6","0.009","107.693","0.01","91.964","0.009","849.01","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C40 H36 N4 S2 -","2","1","","He, Yuan; Lou, Jiang; Wu, Kaikai; Wang, Hongmei; Yu, Zhengkun","Copper-Catalyzed Radical C-C Bond Cleavage and [4+1] Annulation Cascade of Cycloketone Oxime Esters with Enaminothiones.","The Journal of organic chemistry","2019","84","4","2178","2190","10.1021/acs.joc.8b03175","","","0.71073","MoKα","","0.0792","0.0458","","","0.103","0.1262","","","","","","1.03","","","","has coordinates","222362","2020-10-21","18:00:00",""
"4033788","8.2746","0.0005","10.5612","0.0006","25.1263","0.0015","90","","90","","90","","2195.8","0.2","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br2 N O S -","- C21 H25 Br2 N O S -","- C84 H100 Br8 N4 O4 S4 -","4","1","","Mendes, Joseane A.; Merino, Pedro; Soler, Tatiana; Salustiano, Eduardo J.; Costa, Paulo R. R.; Yus, Miguel; Foubelo, Francisco; Buarque, Camilla D.","Enantioselective Synthesis, DFT Calculations, and Preliminary Antineoplastic Activity of Dibenzo 1-Azaspiro[4.5]decanes on Drug-Resistant Leukemias.","The Journal of organic chemistry","2019","84","4","2219","2233","10.1021/acs.joc.8b03203","","","0.71073","MoKα","","0.056","0.0379","","","0.0899","0.0962","","","","","","1.005","","","","has coordinates","222363","2020-10-21","18:00:00",""
"4033789","22.149","0.002","5.7598","0.0005","23.403","0.002","90","","112.289","0.003","90","","2762.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Br3 O3 S -","- C28 H17 Br3 O3 S -","- C112 H68 Br12 O12 S4 -","4","1","","Liu, Shuai; Chen, Ke; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Generation of 1,3-Dimethylene-Substituted Isobenzofurans via Pd(II)-Catalyzed Selective Oxo-cyclization/SO<sub>2</sub> Insertion Cascade of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","84","4","1964","1971","10.1021/acs.joc.8b02934","","","0.71073","MoKα","","0.2223","0.1139","","","0.2933","0.3371","","","","","","1.083","","","","has coordinates","222364","2020-10-21","18:00:00",""
"4033790","3.9525","0.0002","14.699","0.0008","24.6043","0.0014","90","","94.082","0.005","90","","1425.83","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F O3 -","- C18 H17 F O3 -","- C72 H68 F4 O12 -","4","1","","Carral-Menoyo, Asier; Misol, Alexander; Gómez-Redondo, Marcos; Sotomayor, Nuria; Lete, Esther","Palladium(II)-Catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes.","The Journal of organic chemistry","2019","84","4","2048","2060","10.1021/acs.joc.8b03051","","x-ray","1.54184","CuKα","","0.0801","0.0688","","","0.176","0.182","","","","","","1.16","","","","has coordinates","222365","2020-10-21","18:00:00",""
"4033791","24.3624","0.0004","9.6996","0.0001","17.2506","0.0003","90","","90","","90","","4076.41","0.11","290","2","290","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C22 H23 B2 Cu F8.67 N5 -","- C22 H23 B2 Cu F8.66667 N5 -","- C132 H138 B12 Cu6 F52 N30 -","6","1.5","","Przypis, Lukasz; Walczak, Krzysztof Zdzislaw","Copper(II)-Catalyzed Iodinations of Carbazoles: Access to Functionalized Carbazoles.","The Journal of organic chemistry","2019","84","4","2287","2296","10.1021/acs.joc.8b02821","","","0.71073","MoKα","","0.0507","0.0466","","","0.1337","0.1393","","","","","","1.045","","","","has coordinates","222366","2020-10-21","18:00:00",""
"4033792","5.8286","0.0002","17.7357","0.0005","15.3923","0.0005","90","","91.769","0.001","90","","1590.41","0.09","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl3 N -","- C17 H16 Cl3 N -","- C68 H64 Cl12 N4 -","4","1","","Xu, Changming; Zhu, Zhaobin; Wang, Yongchang; Jing, Zhiguo; Gao, Bin; Zhao, Li; Dong, Wen-Kui","Oxidative α-Trichloromethylation of Tertiary Amines: An Entry to α-Amino Acid Esters.","The Journal of organic chemistry","2019","84","4","2234","2242","10.1021/acs.joc.8b03238","","","1.54178","CuKα","","0.0715","0.0695","","","0.1726","0.1765","","","","","","1.096","","","","has coordinates,has disorder","222367","2020-10-21","18:00:00",""
"4033793","5.9898","0.0003","13.5958","0.0006","18.3204","0.0009","90","","94.635","0.001","90","","1487.06","0.12","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl3 N -","- C16 H14 Cl3 N -","- C64 H56 Cl12 N4 -","4","1","","Xu, Changming; Zhu, Zhaobin; Wang, Yongchang; Jing, Zhiguo; Gao, Bin; Zhao, Li; Dong, Wen-Kui","Oxidative α-Trichloromethylation of Tertiary Amines: An Entry to α-Amino Acid Esters.","The Journal of organic chemistry","2019","84","4","2234","2242","10.1021/acs.joc.8b03238","","","0.71073","MoKα","","0.0464","0.0443","","","0.111","0.1127","","","","","","1.07","","","","has coordinates","222368","2020-10-21","18:00:00",""
"4033794","12.0189","0.001","9.9953","0.0008","13.3769","0.0011","90","","90.839","0.002","90","","1606.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C68 H68 N4 O16 S4 -","4","1","","Wang, Li-Jing; Chen, Jia-Min; Dong, Wei; Hou, Cong-Ying; Pang, Mingming; Jin, Wen-Bo; Dong, Fu-Gui; Xu, Zhi-Dong; Li, Wei","Synthesis of Sulfonylated Lactams by Copper-Mediated Aminosulfonylation of 2-Vinylbenzamides with Sodium Sulfinates.","The Journal of organic chemistry","2019","84","4","2330","2338","10.1021/acs.joc.8b03002","","","0.71073","MoKα","","0.0924","0.0443","","","0.1013","0.1216","","","","","","1.018","","","","has coordinates","222369","2020-10-21","18:00:00",""
"4033795","7.9582","0.0004","19.5408","0.0008","21.7073","0.0013","90","","94.838","0.005","90","","3363.7","0.3","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H33 N2 O3 -","- C46 H33 N2 O3 -","- C184 H132 N8 O12 -","4","2","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0831","0.0767","","","0.208","0.2205","","","","","","1.049","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033796","13.9994","0.001","15.5034","0.0011","15.4665","0.0013","90","","90","","90","","3356.8","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C168 H152 N16 O24 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0509","0.0467","","","0.1193","0.1243","","","","","","1.034","","","","has coordinates,has disorder","222371","2020-10-21","18:00:00",""
"4033797","10.928","0.0002","12.6925","0.0002","11.194","0.0002","90","","106.253","0.002","90","","1490.6","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 O3 -","- C41 H28 N4 O3 -","- C82 H56 N8 O6 -","2","1","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","0.71073","MoKα","","0.0609","0.0453","","","0.0801","0.0866","","","","","","1.057","","","","has coordinates","222372","2020-10-21","18:00:00",""
"4033798","24.08","0.002","8.0155","0.0005","20.6822","0.0018","90","","117.408","0.011","90","","3543.8","0.6","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 N4 O2 -","- C48 H38 N4 O2 -","- C192 H152 N16 O8 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0505","0.0445","","","0.1192","0.1254","","","","","","1.022","","","","has coordinates","222373","2020-10-21","18:00:00",""
"4033799","13.225","0.0011","9.6562","0.0006","10.7321","0.0009","90","","110.028","0.009","90","","1287.64","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zym","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Zhu, Yi-Ming; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Palladium Catalyzed Insertion Reaction of Isocyanides with 3-Arylisoxazol-5(4<i>H</i>)-ones: Synthesis of 4-Aminomethylidene Isoxazolone Derivates.","The Journal of organic chemistry","2019","84","17","11007","11013","10.1021/acs.joc.9b01585","","","1.54184","CuKα","","0.0757","0.0571","","","0.1522","0.1865","","","","","","1.088","","","","has coordinates","222374","2020-10-21","18:00:00",""
"4033800","10.2417","0.0018","10.911","0.002","20.105","0.003","90","","90","","90","","2246.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F N2 O4 -","- C26 H23 F N2 O4 -","- C104 H92 F4 N8 O16 -","4","1","","Mishra, Manmath; De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereospecific Copper(II)-Catalyzed Tandem Ring Opening/Oxidative Alkylation of Donor-Acceptor Cyclopropanes with Hydrazones: Synthesis of Tetrahydropyridazines.","The Journal of organic chemistry","2019","84","17","10901","10910","10.1021/acs.joc.9b01506","","","0.71073","MoKα","","0.1253","0.0608","","","0.1415","0.1802","","","","","","0.999","","","","has coordinates","222376","2020-10-21","18:00:00",""
"4033801","6.8189","0.0002","11.2964","0.0002","11.9414","0.0002","112.704","0.001","97.567","0.001","90.137","0.001","839.74","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O -","- C21 H28 O -","- C42 H56 O2 -","2","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","1.54178","CuKα","","0.0473","0.041","","","0.1149","0.1175","","","","","","1.132","","","","has coordinates","222377","2020-10-21","18:00:00",""
"4033802","7.6784","0.001","20.557","0.003","24.693","0.004","90","","90","","90","","3897.7","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H34 O -","- C24 H34 O -","- C192 H272 O8 -","8","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0739","0.0548","","","0.1354","0.1448","","","","","","1.035","","","","has coordinates","222378","2020-10-21","18:00:00",""
"4033803","6.873","0.003","10.713","0.004","12.301","0.005","77.259","0.006","74.195","0.005","87.039","0.006","850","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0458","0.0436","","","0.1194","0.1221","","","","","","1.011","","","","has coordinates","222379","2020-10-21","18:00:00",""
"4033804","13.7963","0.0018","18.445","0.003","9.0679","0.0012","90","","102.076","0.002","90","","2256.5","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","compound 3o","","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","1","","Mari, Giacomo; Ciccolini, Cecilia; De Crescentini, Lucia; Favi, Gianfranco; Santeusanio, Stefania; Mancinelli, Michele; Mantellini, Fabio","Metal and Oxidant-Free Brønsted Acid-Mediated Cascade Reaction to Substituted Benzofurans.","The Journal of organic chemistry","2019","84","17","10814","10824","10.1021/acs.joc.9b01363","","","0.71073","MoKα","","0.0675","0.055","","","0.1243","0.1309","","","","","","1.082","","","","has coordinates","222380","2020-10-21","18:00:00",""
"4033805","13.0572","0.0003","13.388","0.0004","15.1573","0.0004","100.923","0.001","100.563","0.001","114.123","0.001","2271.69","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","BAB1","","","- C57 H60 O5 -","- C57 H60 O5 -","- C114 H120 O10 -","2","1","","Samanta, Debabrata; Singh, Ashish; Verma, Parul; Bhattacharyya, Sohini; Roy, Syamantak; Maji, Tapas Kumar","Photoswitchable J-Aggregated Processable Organogel by Integrating a Photochromic Acceptor.","The Journal of organic chemistry","2019","84","17","10946","10952","10.1021/acs.joc.9b01555","","","0.71073","MoKα","","0.2968","0.135","","","0.3025","0.4002","","","","","","0.999","","","","has coordinates","222381","2020-10-21","18:00:00",""
"4033806","17.272","0.003","7.6066","0.0011","16.875","0.003","90","","94.224","0.002","90","","2211","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl Ir N3 O -","- C24 H29 Cl Ir N3 O -","- C96 H116 Cl4 Ir4 N12 O4 -","4","1","","Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito","Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand.","The Journal of organic chemistry","2019","84","17","10962","10977","10.1021/acs.joc.9b01565","","","0.71075","MoKα","","0.0455","0.0351","","","0.0751","0.0797","","","","","","1.06","","","","has coordinates","222382","2020-10-21","18:00:00",""
"4033807","9.4429","0.0016","9.4429","0.0016","24.644","0.004","90","","90","","90","","2197.5","0.6","93","","93","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 N2 O2 -","- C10 H18 N2 O2 -","- C80 H144 N16 O16 -","8","1","","Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito","Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand.","The Journal of organic chemistry","2019","84","17","10962","10977","10.1021/acs.joc.9b01565","","","0.71075","MoKα","","0.0685","0.0618","","","0.152","0.1593","","","","","","1.042","","","","has coordinates","222382","2020-10-21","18:00:00",""
"4033808","6.851","0.005","8.263","0.005","13.822","0.005","91.426","0.005","96.359","0.005","109.445","0.005","731.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N O2 -","- C19 H14 N O2 -","- C38 H28 N2 O4 -","2","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1359","0.0805","","","0.2046","0.2663","","","","","","1.028","","","","has coordinates","222383","2020-10-21","18:00:00",""
"4033809","8.8279","0.0004","11.0895","0.0005","16.9907","0.0007","90","","93.943","0.002","90","","1659.4","0.13","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.0441","0.0375","","","0.0911","0.0966","","","","","","1.0614","","","","has coordinates","222384","2020-10-21","18:00:00",""
"4033810","12.6894","0.0018","9.7926","0.0015","12.566","0.005","90","","94.98","0.02","90","","1555.6","0.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1147","0.0716","","","0.1703","0.2288","","","","","","1.1542","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033811","6.298","0.003","19.536","0.01","14.791","0.008","90","","97.6","0.006","90","","1803.9","1.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DMP","","- C20 H18 N O4 P -","- C20 H18 N O4 P -","- C80 H72 N4 O16 P4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1934","0.0794","","","0.1968","0.2468","","","","","","1.0989","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033812","15.2134","0.0002","13.9926","0.00017","16.96049","0.00017","90","","98.3027","0.0012","90","","3572.62","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9-phosphatriptycene tris(pentafluorophenyl)borane complex","9-phosphatriptycene tris(pentafluorophenyl)borane complex","","- C37.71 H14.42 B Cl1.42 F15 P -","- C37.711 H14.422 B Cl1.422 F15 P -","- C150.844 H57.688 B4 Cl5.688 F60 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0562","0.0429","","","0.1133","0.1243","","","","","","1.033","","","","has coordinates,has disorder","222387","2020-10-21","18:00:00",""
"4033813","15.031","0.0005","8.2009","0.0002","13.1609","0.0004","90","","120.422","0.004","90","","1398.95","0.09","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0335","0.0283","","","0.0731","0.0768","","","","","","1.015","","","","has coordinates,has disorder","222388","2020-10-21","18:00:00",""
"4033814","14.8144","0.001","8.1417","0.0003","13.0081","0.0009","90","","120.325","0.01","90","","1354.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0371","0.034","","","0.0806","0.0831","","","","","","1.062","","","","has coordinates,has disorder","222389","2020-10-21","18:00:00",""
"4033815","13.4876","0.0002","13.4876","0.0002","57.4638","0.0016","90","","90","","120","","9053","0.3","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","","- C38 H28 B F4 P -","- C38 H28 B F4 P -","- C456 H336 B12 F48 P12 -","12","0.333333","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0717","0.0648","","","0.2026","0.2122","","","","","","1.079","","","","has coordinates","222390","2020-10-21","18:00:00",""
"4033816","25.0052","0.0002","8.40856","0.00008","20.01476","0.00018","90","","94.2309","0.0008","90","","4196.79","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9-thionobenzoate-10-phosphatriptycene","9-thionobenzoate-10-phosphatriptycene","","- C26 H17 O2 P S -","- C26 H17 O2 P S -","- C208 H136 O16 P8 S8 -","8","2","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0382","0.0366","","","0.0937","0.0948","","","","","","1.104","","","","has coordinates","222391","2020-10-21","18:00:00",""
"4033817","15.6241","0.0005","17.7725","0.0007","8.396","0.0005","90","","90","","90","","2331.4","0.18","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-(2-hydroxyphenyl)-7-trifluoromethyl-2,3-dihydro-1H-1,4-diazepine","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C96 H88 F24 N16 O8 -","8","1","","Rocha, Mariana; Gil, Diego M.; Echeverría, Gustavo A; Piro, Oscar E.; Jios, Jorge L.; Ulic, Sonia E.","Enol-imino-Keto-enamine Tautomerism in a Diazepine Derivative: How Decisive Are the Intermolecular Interactions in the Equilibrium?","The Journal of organic chemistry","2019","84","17","11042","11053","10.1021/acs.joc.9b01533","","x-ray","0.71073","MoKα","","0.0929","0.0496","","","0.1021","0.1219","","","","","","1.034","","","","has coordinates,has disorder","222392","2020-10-21","18:00:00",""
"4033818","11.9684","0.0002","12.1357","0.0003","11.6184","0.0003","90","","95.415","0.002","90","","1679.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C68 H104 O12 S4 -","4","1","","Shimoda, Kazuma; Yamaoka, Yousuke; Yoo, Dongeun; Yamada, Ken-Ichi; Takikawa, Hiroshi; Takasu, Kiyosei","Total Syntheses of Allelopathic 4-Oxyprotoilludanes, Melleolides, and Echinocidins.","The Journal of organic chemistry","2019","84","17","11014","11024","10.1021/acs.joc.9b01589","","x-ray","1.54184","CuKα","","0.0566","0.0522","","","0.1381","0.1402","","","","","","1.157","","","","has coordinates","222393","2020-10-21","18:00:00",""
"4033819","8.3723","0.0006","9.9567","0.0007","10.2048","0.0006","94.494","0.005","102.935","0.005","99.045","0.005","813.06","0.1","93","","93","","","","","","","","","4","P -1","-P 1","2","","KS","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C34 H52 O6 S2 -","2","1","","Shimoda, Kazuma; Yamaoka, Yousuke; Yoo, Dongeun; Yamada, Ken-Ichi; Takikawa, Hiroshi; Takasu, Kiyosei","Total Syntheses of Allelopathic 4-Oxyprotoilludanes, Melleolides, and Echinocidins.","The Journal of organic chemistry","2019","84","17","11014","11024","10.1021/acs.joc.9b01589","","x-ray","1.54184","CuKα","","0.068","0.0644","","","0.1789","0.1825","","","","","","1.082","","","","has coordinates","222394","2020-10-21","18:00:00",""
"4033820","6.5477","0.0001","12.0793","0.0001","20.9684","0.0003","90","","91.419","0.001","90","","1657.92","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.42 H2.06 N0.12 O0.36 -","- C2.42424 H2.06061 N0.121212 O0.363636 -","- C80 H68 N4 O12 -","33","16.5","","Liang, Hao; Zhou, Xiaotong; Zheng, Liyao; Wang, Jun","Enantioselective Organocatalytic Desymmetrization of Cyclopentene-1,3-diones through Formal C(sp<sup>2</sup>)-H Amidation.","The Journal of organic chemistry","2019","84","17","11306","11315","10.1021/acs.joc.9b01678","","","1.54178","CuKα","","0.0364","0.0345","","","0.0914","0.0935","","","","","","1.021","","","","has coordinates","222395","2020-10-21","18:00:00",""
"4033821","10.9009","0.0004","10.9293","0.0005","11.467","0.0006","70.334","0.004","64.617","0.004","85.903","0.003","1158.02","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl N2 O2 S -","- C28 H21 Cl N2 O2 S -","- C56 H42 Cl2 N4 O4 S2 -","2","1","","Liu, Wei; Zhang, Yu; He, Jiaming; Yu, Yue; Yuan, Jiajun; Ye, Xiaoyi; Zhang, Ziwu; Xue, Liang; Cao, Hua","Transition-Metal-Free Three-Component Reaction: Additive Controlled Synthesis of Sulfonylated Imidazoles.","The Journal of organic chemistry","2019","84","17","11348","11358","10.1021/acs.joc.9b01818","","x-ray","0.71073","MoKα","","0.0458","0.0388","","","0.0899","0.095","","","","","","1.008","","","","has coordinates","222396","2020-10-21","18:00:00",""
"4033822","8.4805","0.0005","22.3313","0.0013","13.9538","0.0008","90","","105.882","0.007","90","","2541.7","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O2 S -","- C31 H28 N2 O2 S -","- C124 H112 N8 O8 S4 -","4","1","","Liu, Wei; Zhang, Yu; He, Jiaming; Yu, Yue; Yuan, Jiajun; Ye, Xiaoyi; Zhang, Ziwu; Xue, Liang; Cao, Hua","Transition-Metal-Free Three-Component Reaction: Additive Controlled Synthesis of Sulfonylated Imidazoles.","The Journal of organic chemistry","2019","84","17","11348","11358","10.1021/acs.joc.9b01818","","x-ray","0.71073","MoKα","","0.0632","0.0508","","","0.1182","0.1267","","","","","","1.019","","","","has coordinates","222397","2020-10-21","18:00:00",""
"4033823","12.7943","0.0012","15.5553","0.0013","17.9512","0.0017","90","","104.141","0.002","90","","3464.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl4 Cu2 N4 O12 S4 -","- C20 H44 Cl4 Cu2 N4 O12 S4 -","- C80 H176 Cl16 Cu8 N16 O48 S16 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0625","0.0397","","","0.0824","0.0998","","","","","","1.048","","","","has coordinates","222398","2020-10-21","18:00:00",""
"4033824","8.8079","0.0007","10.9869","0.001","31.112","0.003","90","","90","","90","","3010.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 N2 S2 -","- C10 H24 Cl2 N2 S2 -","- C80 H192 Cl16 N16 S16 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.04","0.0305","","","0.073","0.0778","","","","","","1.058","","","","has coordinates","222399","2020-10-21","18:00:00",""
"4033825","16.7399","0.0007","12.0024","0.0005","27.0312","0.0012","90","","90","","90","","5431.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O4 S4 -","- C24 H34 N2 O4 S4 -","- C192 H272 N16 O32 S32 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54178","CuKα","","0.0467","0.0431","","","0.1197","0.1227","","","","","","1.042","","","","has coordinates","222400","2020-10-21","18:00:00",""
"4033826","12.1657","0.0006","17.8449","0.0009","8.3153","0.0004","90","","90","","90","","1805.22","0.15","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C17 H22 N2 O4 S2 -","- C17 H22 N2 O4 S2 -","- C68 H88 N8 O16 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0223","0.0217","","","0.0594","0.06","","","","","","1.012","","","","has coordinates","222401","2020-10-21","18:00:00",""
"4033827","14.0671","0.001","9.6321","0.0007","13.0463","0.0009","90","","90","","90","","1767.7","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cl2 Cu N2 O8 S2 -","- C10 H22 Cl2 Cu N2 O8 S2 -","- C40 H88 Cl8 Cu4 N8 O32 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.1263","0.1251","","","0.3006","0.301","","","","","","1.326","","","","has coordinates,has disorder","222402","2020-10-21","18:00:00",""
"4033828","18.4619","0.0012","7.3383","0.0005","15.6731","0.0009","90","","93.296","0.003","90","","2119.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl N2 O2 S3 -","- C17 H29 Cl N2 O2 S3 -","- C68 H116 Cl4 N8 O8 S12 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0559","0.0403","","","0.1064","0.1162","","","","","","1.057","","","","has coordinates","222403","2020-10-21","18:00:00",""
"4033829","11.3988","0.0006","7.7257","0.0005","24.0175","0.0014","90","","101.992","0.004","90","","2068.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O5 S2 -","- C19 H26 N2 O5 S2 -","- C76 H104 N8 O20 S8 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0769","0.0553","","","0.1402","0.1519","","","","","","1.063","","","","has coordinates","222404","2020-10-21","18:00:00",""
"4033830","5.296","0.002","22.476","0.014","19.7","0.02","90","","92.09","0.03","90","","2343","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl2 N2 O4 S2 -","- C21 H28 Cl2 N2 O4 S2 -","- C84 H112 Cl8 N8 O16 S8 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54184","CuKα","","0.0429","0.0395","","","0.1016","0.1043","","","","","","1.008","","","","has coordinates","222405","2020-10-21","18:00:00",""
"4033831","11.1529","0.0009","7.5017","0.0004","23.3606","0.0014","90","","103.719","0.006","90","","1898.7","0.2","272","3","272","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl I N4 O2 -","- C18 H16 Cl I N4 O2 -","- C72 H64 Cl4 I4 N16 O8 -","4","1","","Wu, Danhua; Cui, Shuang-Shuang; Lin, Yajun; Li, Lin; Yu, Wei","Visible Light-Driven Azidation/Difunctionalization of Vinyl Arenes with Azidobenziodoxole under Copper Catalysis.","The Journal of organic chemistry","2019","84","17","10978","10989","10.1021/acs.joc.9b01569","","x-ray","0.71073","MoKα","","0.0777","0.0457","","","0.0735","0.0906","","","","","","1.031","","","","has coordinates","222406","2020-10-21","18:00:00",""
"4033832","7.3105","0.0006","19.3271","0.0015","15.1127","0.001","90","","90","","90","","2135.3","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Nitisha, ?; Venkatakrishnan, Parthasarathy","Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.","The Journal of organic chemistry","2019","84","17","10679","10689","10.1021/acs.joc.9b01223","","","0.71073","MoKα","","0.0797","0.0558","","","0.1451","0.1565","","","","","","1.152","","","","has coordinates","222407","2020-10-21","18:00:00",""
"4033833","8.2181","0.0007","18.9531","0.0017","12.315","0.0011","90","","97.258","0.004","90","","1902.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Nitisha, ?; Venkatakrishnan, Parthasarathy","Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.","The Journal of organic chemistry","2019","84","17","10679","10689","10.1021/acs.joc.9b01223","","","0.71073","MoKα","","0.0465","0.0361","","","0.0875","0.0972","","","","","","1.042","","","","has coordinates","222408","2020-10-21","18:00:00",""
"4033834","9.9108","0.0006","23.4525","0.0013","7.862","0.0005","90","","90.494","0.006","90","","1827.32","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","Hanchate, Vinayak; Kumar, Anil; Prabhu, Kandikere Ramaiah","Synthesis of Furanone-Fused 1,2-Benzothiazine by Rh(III)-Catalyzed C-H Activation: Regioselective Oxidative Annulation Leading to in Situ Lactonization in One Pot.","The Journal of organic chemistry","2019","84","17","11335","11342","10.1021/acs.joc.9b01899","","","0.71073","MoKα","","0.0954","0.0631","","","0.1432","0.1676","","","","","","1.044","","","","has coordinates","222410","2020-10-21","18:00:00",""
"4033835","9.6064","0.001","14.2833","0.0014","28.396","0.003","90","","95.5588","0.0019","90","","3877.9","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Cl6 N3 O2 -","- C39 H35 Cl6 N3 O2 -","- C156 H140 Cl24 N12 O8 -","4","1","","Janatian Ghazvini, Helya; Müller, Thomas J J; Rominger, Frank; Balalaie, Saeed","Highly Substituted Medium-Sized Ring-Fused Azocinoquinoline Scaffolds by Post-Ugi-4CR Reductive Carbopalladation Cyclization.","The Journal of organic chemistry","2019","84","17","10740","10748","10.1021/acs.joc.9b01269","","","0.71073","MoKα","","0.1072","0.0512","","","0.0991","0.1215","","","","","","1.012","","","","has coordinates","222411","2020-10-21","18:00:00",""
"4033836","10.439","0.002","15.438","0.004","15.996","0.004","82.84","0.006","80.342","0.006","86.328","0.006","2519.1","1","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H24 S -","- C38 H24 S -","- C152 H96 S4 -","4","2","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0586","0.0414","","","0.0938","0.1035","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033837","7.9822","0.0007","11.814","0.0009","13.1933","0.0015","94.717","0.003","97.068","0.003","98.978","0.002","1213","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H16 F4 S -","- C36 H16 F4 S -","- C72 H32 F8 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0745","0.0494","","","0.1231","0.1474","","","","","","1.017","","","","has coordinates","222413","2020-10-21","18:00:00",""
"4033838","8.0086","0.0004","10.7969","0.0006","13.8874","0.0008","96.808","0.002","92.418","0.002","104.746","0.002","1149.8","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 F2 S -","- C36 H18 F2 S -","- C72 H36 F4 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0427","0.0358","","","0.0911","0.096","","","","","","1.033","","","","has coordinates","222414","2020-10-21","18:00:00",""
"4033839","8.1373","0.0013","11.352","0.002","14.302","0.002","81.158","0.005","89.842","0.005","73.439","0.004","1250.1","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 Cl2 S -","- C36 H18 Cl2 S -","- C72 H36 Cl4 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.1534","0.0894","","","0.1619","0.1872","","","","","","1.064","","","","has coordinates","222415","2020-10-21","18:00:00",""
"4033840","12.9908","0.0009","8.3804","0.0006","21.0991","0.0015","90","","90.996","0.002","90","","2296.7","0.3","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 S -","- C36 H20 S -","- C144 H80 S4 -","4","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0651","0.0445","","","0.1018","0.1131","","","","","","1.017","","","","has coordinates","222416","2020-10-21","18:00:00",""
"4033841","7.6318","0.0013","11.923","0.002","23.114","0.004","90","","90","","90","","2103.2","0.6","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","2","","Caleffi, Guilherme S.; Larrañaga, Olatz; Ferrándiz-Saperas, Marcos; Costa, Paulo R. R.; Nájera, Carmen; de Cózar, Abel; Cossío, Fernando P; Sansano, José M","Switching Diastereoselectivity in Catalytic Enantioselective (3+2) Cycloadditions of Azomethine Ylides Promoted by Metal Salts and Privileged Segphos-Derived Ligands.","The Journal of organic chemistry","2019","84","17","10593","10605","10.1021/acs.joc.9b00267","","","0.71073","MoKα","","0.1148","0.0544","","","0.0849","0.1044","","","","","","0.957","","","","has coordinates","222417","2020-10-21","18:00:00",""
"4033842","8.4944","0.0009","8.9647","0.001","32.731","0.004","88.303","0.004","83.461","0.004","79.038","0.004","2431","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 O2 P -","- C31 H27 O2 P -","- C93 H81 O6 P3 -","3","3","","Jin, Shengnan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","The Silver-Promoted Phosphonation/Alkynylation of Alkene Proceeding with Radical 1,2-Alkynyl Migration.","The Journal of organic chemistry","2019","84","17","11177","11185","10.1021/acs.joc.9b01088","","","1.34139","GaKα","","0.1561","0.1098","","","0.2596","0.2904","","","","","","1.236","","","","has coordinates","222418","2020-10-21","18:00:00",""
"4033843","20.3439","0.0004","8.323","0.0002","22.9542","0.0005","90","","90","","90","","3886.66","0.15","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C192 H160 O48 -","8","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0434","0.0378","","","0.094","0.1","","","","","","1.075","","","","has coordinates","222419","2020-10-21","18:00:00",""
"4033844","16.8387","0.0004","6.78","0.0002","15.4079","0.0004","90","","106.205","0.003","90","","1689.18","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O5 -","- C22 H18 O5 -","- C88 H72 O20 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0557","0.046","","","0.1211","0.1291","","","","","","1.077","","","","has coordinates","222420","2020-10-21","18:00:00",""
"4033845","20.7497","0.0005","9.0408","0.0002","10.2972","0.0003","90","","99.14","0.003","90","","1907.17","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C96 H80 O24 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0476","0.0383","","","0.0939","0.1007","","","","","","1.027","","","","has coordinates","222421","2020-10-21","18:00:00",""
"4033846","8.1027","0.0001","27.9899","0.0005","7.5507","0.0001","90","","101.48","0.002","90","","1678.19","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0505","0.0416","","","0.0958","0.1074","","","","","","1.074","","","","has coordinates","222422","2020-10-21","18:00:00",""
"4033847","14.0881","0.0002","7.8859","0.0001","35.7414","0.0004","90","","90","","90","","3970.77","0.09","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O7 -","- C24 H22 O7 -","- C192 H176 O56 -","8","2","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.077","0.0786","","","","","","1.021","","","","has coordinates","222423","2020-10-21","18:00:00",""
"4033848","10.0551","0.0018","10.1464","0.0018","14.205","0.002","69.217","0.007","78.249","0.007","68.834","0.007","1258.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C54 H56 N8 O8 -","2","1","","Gallardo-Fuentes, Sebastián; Lezana, Nicolás; Lühr, Susan; Galdámez, Antonio; Vilches-Herrera, Marcelo","Influence of Non-Covalent Interactions in the <i>Exo</i>- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT Calculations.","The Journal of organic chemistry","2019","84","17","10825","10831","10.1021/acs.joc.9b01390","","","0.71073","MoKα","","0.0843","0.0614","","","0.1616","0.1815","","","","","","1.037","","","","has coordinates","222424","2020-10-21","18:00:00",""
"4033849","10.1338","0.0011","10.2076","0.001","10.6911","0.0012","96.723","0.005","113.639","0.005","93.417","0.005","999.22","0.19","293","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C42 H50 N6 O4 -","2","1","","Gallardo-Fuentes, Sebastián; Lezana, Nicolás; Lühr, Susan; Galdámez, Antonio; Vilches-Herrera, Marcelo","Influence of Non-Covalent Interactions in the <i>Exo</i>- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT Calculations.","The Journal of organic chemistry","2019","84","17","10825","10831","10.1021/acs.joc.9b01390","","","0.71073","MoKα","","0.0643","0.046","","","0.1074","0.1207","","","","","","1.015","","","","has coordinates","222426","2020-10-21","18:00:00",""
"4033850","19.4211","0.0006","5.90419","0.00018","16.3745","0.0005","90","","91.651","0.003","90","","1876.82","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 S3 -","- C18 H21 N O2 S3 -","- C72 H84 N4 O8 S12 -","4","1","","Lai, Miao; Wu, Zhiyong; Li, Shi-Jun; Wei, Donghui; Zhao, Mingqin","Regioselective Synthesis of Sulfonyl-Containing Benzyl Dithiocarbamates through Copper-Catalyzed Thiosulfonylation of Styrenes.","The Journal of organic chemistry","2019","84","17","11135","11149","10.1021/acs.joc.9b01829","","x-ray","1.54184","CuKα","","0.0586","0.0473","","","0.1316","0.147","","","","","","1.033","","","","has coordinates","222427","2020-10-21","18:00:00",""
"4033851","7.4961","0.0002","7.4595","0.0002","13.2851","0.0003","90","","104.771","0.001","90","","718.32","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A <i>Lycopodium</i> Alkaloid with a Unique Cyclobutane Ring from <i>Phlegmariurus phlegmaria</i>.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0326","0.0326","","","0.0854","0.0855","","","","","","1.004","","","","has coordinates","222428","2020-10-21","18:00:00",""
"4033852","13.2222","0.0003","14.2829","0.0004","17.1194","0.0004","90","","90","","90","","3233.02","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C136 H216 N8 O32 -","8","2","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A <i>Lycopodium</i> Alkaloid with a Unique Cyclobutane Ring from <i>Phlegmariurus phlegmaria</i>.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0286","0.0285","","","0.0754","0.0755","","","","","","1.096","","","","has coordinates","222429","2020-10-21","18:00:00",""
"4033853","14.334","0.004","12.401","0.003","12.344","0.004","90","","105.26","0.003","90","","2116.9","1","273","","273","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 Pt S Si -","- C22 H23 N O2 Pt S Si -","- C88 H92 N4 O8 Pt4 S4 Si4 -","4","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0421","0.0391","","","0.0896","0.0911","","","","","","1.132","","","","has coordinates","222430","2020-10-21","18:00:00",""
"4033854","8.711","0.003","13.404","0.004","12.174","0.004","90","","106.607","0.005","90","","1362.2","0.8","273","","273","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H31 N O3 Pt S Si -","- C30 H31 N O3 Pt S Si -","- C60 H62 N2 O6 Pt2 S2 Si2 -","2","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0247","0.0231","","","0.0509","0.0519","","","","","","1.036","","","","has coordinates","222431","2020-10-21","18:00:00",""
"4033855","13.706","0.01","12.365","0.008","12.403","0.009","90","","105.277","0.008","90","","2028","2","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 Pt S -","- C23 H23 N O2 Pt S -","- C92 H92 N4 O8 Pt4 S4 -","4","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0629","0.0527","","","0.1114","0.1184","","","","","","1.072","","","","has coordinates","222432","2020-10-21","18:00:00",""
"4033856","15.6307","0.0001","15.6307","0.0001","12.5351","0.0001","90","","90","","120","","2652.26","0.03","100","0.1","100","0.1","","","","","","","","3","P 65","P 65","170","","2a-hydroxy-10e-methyl-1a,2,2a,3,4,4a,4b,5,6,9,10,10c,10d,10e-tetradecahydrocyclobuta[3,4]cyclopenta[1,7]indeno[5,6-a]naphthalen-8(1H)-one hydrate","","- C21 H27 O2.5 -","- C21 H27 O2.5 -","- C126 H162 O15 -","6","1","","Pflug, Nicholas C.; Patterson, Eric V.; Martinović-Weigelt, Dalma; Kolodziej, Edward P.; Gloer, James B.; McNeill, Kristopher; Cwiertny, David M.; Wammer, Kristine H.","Intramolecular [2 + 2] Photocycloaddition of Altrenogest: Confirmation of Product Structure, Theoretical Mechanistic Insight, and Bioactivity Assessment.","The Journal of organic chemistry","2019","84","17","11366","11371","10.1021/acs.joc.9b02070","","","1.54184","CuKα","","0.0352","0.0349","","","0.0945","0.0948","","","","","","1.052","","","","has coordinates,has disorder","222433","2020-10-21","18:00:00",""
"4033857","15.8728","0.0005","9.0055","0.0003","13.384","0.0005","90","","95.57","0.003","90","","1904.11","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Yang, Wen; Chen, Yu; Yao, Yongqi; Yang, Xin; Lin, Qifu; Yang, Dingqiao","ICl/AgNO<sub>3</sub> Co-Catalyzed Radical Oxidation of Diaryl- and Alkylarylalkynes into 1,2-Diketones.","The Journal of organic chemistry","2019","84","17","11080","11090","10.1021/acs.joc.9b01667","","x-ray","1.54184","CuKα","","0.052","0.0419","","","0.1059","0.1147","","","","","","1.142","","","","has coordinates","222434","2020-10-21","18:00:00",""
"4033858","8.0294","0.0004","12.7216","0.0006","16.3848","0.001","108.971","0.005","90.502","0.004","107.466","0.004","1499.25","0.15","106.6","","106.6","","","","","","","","","3","P 1","P 1","1","","","","- C33 H49 O4 -","- C33 H49 O4 -","- C66 H98 O8 -","2","2","","Liu, Tingting; Wu, Haibo; Jiang, Hongyun; Zhang, Lan; Zhang, Yanning; Mao, Liangang","Echingridimer A, an Oxaspiro Dimeric Sesquiterpenoid with a 6/6/5/6/6 Fused Ring System from <i>Echinops grijsii</i> and Aphicidal Activity Evaluation.","The Journal of organic chemistry","2019","84","17","10757","10763","10.1021/acs.joc.9b01212","","","1.5418","CuKα","","0.0712","0.0566","","","0.1349","0.1482","","","","","","1.023","","","","has coordinates,has disorder","222435","2020-10-21","18:00:00",""
"4033859","13.2992","0.0009","9.3014","0.0006","11.1624","0.0007","90","","107.772","0.003","90","","1314.91","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N6 O2 S -","- C11 H12 N6 O2 S -","- C44 H48 N24 O8 S4 -","4","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0604","0.0375","","","0.0877","0.096","","","","","","1.019","","","","has coordinates","222436","2020-10-21","18:00:00",""
"4033860","14.014","0.0018","17.049","0.002","4.9969","0.0005","90","","90","","90","","1193.9","0.2","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C4 H4 N6 -","- C4 H4 N6 -","- C32 H32 N48 -","8","0.5","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0589","0.0354","","","0.0725","0.0809","","","","","","1.015","","","","has coordinates","222437","2020-10-21","18:00:00",""
"4033861","5.5409","0.0006","8.9312","0.0011","10.2919","0.0013","90","","93.877","0.005","90","","508.15","0.11","172","2","172","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.049","0.0332","","","0.0641","0.0694","","","","","","1.049","","","","has coordinates","222438","2020-10-21","18:00:00",""
"4033862","5.9826","0.0005","10.7112","0.0011","27.094","0.003","90","","90","","90","","1736.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N6 O2 S -","- C17 H16 N6 O2 S -","- C68 H64 N24 O8 S4 -","4","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0819","0.0432","","","0.0729","0.0824","","","","","","1.036","","","","has coordinates","222439","2020-10-21","18:00:00",""
"4033863","10.1158","0.0004","17.6903","0.0006","10.7433","0.0004","90","","117.075","0.001","90","","1711.84","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","1","","Zhu, Jia-Nan; Wang, Wen-Kang; Zheng, Jian; Lin, Hao-Peng; Deng, Yun-Xia; Zhao, Sheng-Yin","Iodine-Catalyzed Regioselective Oxidative Cyclization of Aldehyde Hydrazones with Electron-Deficient Olefins for the Synthesis of Mefenpyr-Diethyl.","The Journal of organic chemistry","2019","84","17","11032","11041","10.1021/acs.joc.9b01499","","","0.71073","MoKα","","0.0638","0.0534","","","0.1441","0.1552","","","","","","1.046","","","","has coordinates","222440","2020-10-21","18:00:00",""
"4033864","11.5493","0.0003","14.4808","0.0004","15.7452","0.0004","90","","90","","90","","2633.28","0.12","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 N O2 -","- C35 H31 N O2 -","- C140 H124 N4 O8 -","4","1","","Mao, Jia; Zhang, Hao; Ding, Xiang-Feng; Luo, Xiaoyan; Deng, Wei-Ping","Synergistic Catalysis for Asymmetric [3 + 2] Cycloadditions of 2-Indolylmethanols with <i>α,β</i>-Unsaturated Aldehydes.","The Journal of organic chemistry","2019","84","17","11186","11194","10.1021/acs.joc.9b01234","","","1.34139","GaKα","","0.0453","0.0431","","","0.1077","0.1096","","","","","","1.034","","","","has coordinates","222441","2020-10-21","18:00:00",""
"4033865","18.76631","0.00012","14.88559","0.00011","7.88336","0.00007","90","","90","","90","","2202.2","0.03","150","","150","","","","","","","","from U of Wollongong","5","P n a 21","P 2c -2n","33","","","","- C27 H21 Cl N2 O3 -","- C27 H21 Cl N2 O3 -","- C108 H84 Cl4 N8 O12 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0331","0.0329","","0.0897","0.0895","0.0897","","","","","","1.0061","","","","has coordinates","222442","2020-10-21","18:00:00",""
"4033866","7.6361","0.0002","13.715","0.0003","22.4168","0.0005","90","","98.156","0.002","90","","2323.95","0.1","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0751","0.0738","","0.1961","0.1959","0.1961","","","","","","0.9998","","","","has coordinates","222443","2020-10-21","18:00:00",""
"4033867","9.4271","0.0001","10.0632","0.0001","23.0963","0.0002","90","","101.149","0.0011","90","","2149.72","0.04","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O3 S -","- C25 H20 N2 O3 S -","- C100 H80 N8 O12 S4 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0411","0.0372","","0.0922","0.0892","0.0922","","","","","","1.0018","","","","has coordinates","222444","2020-10-21","18:00:00",""
"4033868","9.4461","0.0001","10.2612","0.0001","23.0912","0.0002","90","","100.49","0.0008","90","","2200.78","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0376","0.0362","","0.0895","0.0882","0.0895","","","","","","1.0004","","","","has coordinates","222445","2020-10-21","18:00:00",""
"4033869","12.8492","0.0007","23.7824","0.0012","8.4063","0.0004","90","","90","","90","","2568.8","0.2","299","2","299.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N3 O3 -","- C30 H31 N3 O3 -","- C120 H124 N12 O12 -","4","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0564","0.051","","","0.1398","0.1439","","","","","","1.07","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033870","8.802","0.0005","11.259","0.0006","15.7919","0.0008","90","","95.669","0.002","90","","1557.35","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H38 N4 O4 -","- C37 H38 N4 O4 -","- C74 H76 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.072","0.0449","","","0.1039","0.1164","","","","","","1.03","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033871","8.9528","0.0011","11.419","0.003","15.863","0.002","90","","93.945","0.012","90","","1617.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N4 O4 -","- C38 H40 N4 O4 -","- C76 H80 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0513","0.042","","","0.1052","0.1116","","","","","","1.015","","","","has coordinates,has disorder","222446","2020-10-21","18:00:00",""
"4033872","10.962","0.004","19.047","0.005","12.85","0.004","90","","97.523","0.017","90","","2659.9","1.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H66 N6 O6 -","- C60 H66 N6 O6 -","- C120 H132 N12 O12 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0371","0.0347","","","0.09","0.0919","","","","","","1.024","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033873","20.141","0.003","20.141","0.003","10.316","0.003","90","","90","","90","","4184.8","1.5","296","2","296","2","","","","","","","","7","P 4","P 4","75","","","","- C161 H181.5 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","1","0.25","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0577","0.0556","","","0.1679","0.1707","","","","","","1.052","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033874","12.3004","0.0005","26.5371","0.0011","7.3874","0.0003","90","","107.915","0.001","90","","2294.45","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H16 F3 O4 -","- C31 H16 F3 O4 -","- C124 H64 F12 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.0635","0.0497","","","0.1086","0.1146","","","","","","1.044","","","","has coordinates","222447","2020-10-21","18:00:00",""
"4033875","10.2558","0.0006","6.9979","0.0004","25.3728","0.0014","90","","95.701","0.002","90","","1811.98","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 O4 -","- C58 H32 O4 -","- C116 H64 O8 -","2","0.5","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.1059","0.0599","","","0.1359","0.1569","","","","","","1.035","","","","has coordinates","222448","2020-10-21","18:00:00",""
"4033876","11.4487","0.001","7.2437","0.0006","22.218","0.002","90","","95.522","0.003","90","","1834","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.1848","0.0692","","","0.0997","0.1253","","","","","","0.992","","","","has coordinates","222449","2020-10-21","18:00:00",""
"4033877","12.278","0.003","10.77","0.002","15.154","0.004","90","","111.644","0.008","90","","1862.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.0977","0.0563","","","0.1483","0.1743","","","","","","1.076","","","","has coordinates","222450","2020-10-21","18:00:00",""
"4033878","14.3827","0.0011","9.2545","0.0007","13.9386","0.0011","90","","90","","90","","1855.3","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","0.5","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.119","0.0633","","","0.1335","0.1572","","","","","","1.029","","","","has coordinates","222451","2020-10-21","18:00:00",""
"4033879","12.1609","0.001","9.9347","0.0008","34.851","0.003","90","","96.334","0.002","90","","4184.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H16.5 Cl1.5 O2 -","- C29.5 H16.5 Cl1.5 O2 -","- C236 H132 Cl12 O16 -","8","2","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.2358","0.1441","","","0.3355","0.3741","","","","","","1.12","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033880","17.8922","0.0002","4.8496","0.0001","19.703","0.0003","90","","99.19","0.001","90","","1687.69","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C80 H68 N12 O16 -","4","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.046","0.0419","","","0.1117","0.1156","","","","","","1.047","","","","has coordinates","222453","2020-10-21","18:00:00",""
"4033881","25.7343","0.001","7.6126","0.0002","27.7175","0.0008","90","","90","","90","","5430","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cl N3 O3 -","- C28 H20 Cl N3 O3 -","- C224 H160 Cl8 N24 O24 -","8","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0841","0.0648","","","0.1528","0.1637","","","","","","1.054","","","","has coordinates","222454","2020-10-21","18:00:00",""
"4033882","10.1197","0.0001","10.5071","0.0001","21.9497","0.0002","93.92","0.001","95.141","0.001","106.474","0.001","2218.3","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C104 H84 Br4 N8 O8 -","4","2","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","","1.54184","CuKα","","0.043","0.0399","","","0.1127","0.1148","","","","","","1.15","","","","has coordinates,has disorder","222455","2020-10-21","18:00:00",""
"4033883","9.214","0.0002","9.26","0.0001","9.6732","0.0002","109.196","0.002","95.169","0.002","96.044","0.001","768.25","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0395","0.0389","","","0.1044","0.1051","","","","","","1.041","","","","has coordinates","222456","2020-10-21","18:00:00",""
"4033884","8.5792","0.0001","9.5408","0.0001","23.8992","0.0003","90","","90","","90","","1956.21","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","","- C24 H22 O5 -","- C24 H22 O5 -","- C96 H88 O20 -","4","1","","Tanaka, Kenta; Omata, Daichi; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Organophotoredox-Catalyzed Intermolecular Oxa-[4+2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","84","17","10669","10678","10.1021/acs.joc.9b01156","","x-ray","1.54184","CuKα","","0.0522","0.0492","","","0.1355","0.1388","","","","","","1.047","","","","has coordinates","222457","2020-10-21","18:00:00",""
"4033885","5.8825","0.0007","7.6219","0.001","31.585","0.004","90","","92.41","0.005","90","","1414.9","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","","Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Shen, Kexin; Pan, Yuanjiang","Aerobic Copper-Catalyzed Synthesis of (<i>E</i>)-Vinyl Sulfones by Direct C-S Bond Oxidative Coupling.","The Journal of organic chemistry","2019","84","17","11210","11218","10.1021/acs.joc.9b01400","","","0.71073","MoKα","","0.0781","0.0723","","","0.193","0.1966","","","","","","1.219","","","","has coordinates","222458","2020-10-21","18:00:00",""
"4033886","9.605","0.008","10.338","0.009","13.999","0.012","102.399","0.018","94.702","0.017","106.263","0.018","1288.3","1.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 N O2 S -","- C32 N O2 S -","- C64 N2 O4 S2 -","2","1","","Qiao, Hong; Zhang, Shengjun; Li, Kangkang; Cao, Zhengqiang; Zeng, Fanlong","Palladium(II)/Lewis Acid Cocatalyzed Oxidative Annulation of 2-Alkenylanilines and Propargylic Esters: An Access to Benzo[<i>b</i>]azepines.","The Journal of organic chemistry","2019","84","17","10843","10851","10.1021/acs.joc.9b01406","","","0.71073","MoKα","","0.2187","0.0984","","","0.2557","0.3503","","","","","","0.934","","","","has coordinates","222459","2020-10-21","18:00:00",""
"4033887","6.2227","0.0012","13.638","0.003","17.947","0.004","78.429","0.006","89.29","0.006","88.54","0.006","1491.6","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H84 Br2 N2 O6 S2 -","- C62 H84 Br2 N2 O6 S2 -","- C62 H84 Br2 N2 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Helmin, Andrew J.; Wilcox, Wyatt D.; Severson, Sarah M.; Janzen, Daron E.","ProDOT-Assisted Isomerically Pure Indophenines.","The Journal of organic chemistry","2019","84","17","11253","11257","10.1021/acs.joc.9b01525","","","0.71075","MoKα","","0.147","0.0759","","","0.1568","0.186","","","","","","1.028","","","","has coordinates,has disorder","222462","2020-10-21","18:00:00",""
"4033888","5.4543","0.0001","7.6941","0.0002","34.3867","0.0008","90","","90.327","0.001","90","","1443.05","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Lin, Long; Zeng, Xiaojun; Xu, Bo","Synthesis of <i>Z</i>-Enamides through Heterogeneous Gold-Catalyzed Stereoselective Hydrogenation of Ynamides.","The Journal of organic chemistry","2019","84","17","11240","11246","10.1021/acs.joc.9b01450","","","0.71073","MoKα","","0.0389","0.0348","","","0.0948","0.0991","","","","","","1.072","","","","has coordinates","222463","2020-10-21","18:00:00",""
"4033889","13.1467","0.0009","6.1735","0.0004","15.7907","0.0011","90","","94.671","0.002","90","","1277.33","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Py-Ts-Me-Br","","","- C12 H12 Br N O2 S -","- C12 H12 Br N O2 S -","- C48 H48 Br4 N4 O8 S4 -","4","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0545","0.0315","","","0.0639","0.0707","","","","","","1.041","","","","has coordinates,has disorder","222464","2020-10-21","18:00:00",""
"4033890","6.3705","0.0003","16.0873","0.0007","25.9006","0.0011","90","","90","","90","","2654.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Py-Ts-Me-I","","","- C11.99 H11.96 I1.01 N O2 S -","- C11.9853 H11.9559 I1.0147 N O2 S -","- C95.8824 H95.6472 I8.1176 N8 O16 S8 -","8","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0625","0.045","","","0.0805","0.085","","","","","","1.218","","","","has coordinates,has disorder","222465","2020-10-21","18:00:00",""
"4033891","5.582","0.0002","10.6694","0.0003","40.2605","0.001","90","","90","","90","","2397.78","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O3 S -","- C29 H26 N2 O3 S -","- C116 H104 N8 O12 S4 -","4","1","","Dhanasekaran, Sivasankaran; Kannaujiya, Vinod K.; Biswas, Rayhan G.; Singh, Vinod K.","Enantioselective A<sup>3</sup>-Coupling Reaction Employing Chiral Cu<sup>I</sup>- <sup>i</sup>PrpyboxdiPh/ N-Boc-(l)-Proline Complex under Cooperative Catalysis: Application in the Synthesis of (Indol-2-yl)methanamines.","The Journal of organic chemistry","2019","84","6","3275","3292","10.1021/acs.joc.8b03225","","","0.71073","MoKα","","0.0856","0.0551","","","0.1021","0.1142","","","","","","1.002","","","","has coordinates","222466","2020-10-21","18:00:00",""
"4033892","10.7686","0.0003","6.6244","0.0002","15.1218","0.0005","90","","110.361","0.002","90","","1011.32","0.05","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C42 H64 O4 Si2 -","2","1","","Puriņš, Mikus; Mishnev, Anatoly; Turks, Ma Ris","Brønsted Acid Catalyzed 1,2-Silyl Shift in Propargyl Silanes: Synthesis of Silyl Dienes and Silyl Indenes.","The Journal of organic chemistry","2019","84","6","3595","3611","10.1021/acs.joc.8b02735","","","0.71073","MoKα","","0.0684","0.0472","","","0.084","0.092","","","","","","1.037","","","","has coordinates","222467","2020-10-21","18:00:00",""
"4033893","13.1063","0.0004","14.9181","0.0005","7.0214","0.0002","90","","97.3063","0.0012","90","","1361.69","0.07","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 F2 O -","- C18 H12 F2 O -","- C72 H48 F8 O4 -","4","2","","Bosmans, Vera; Poater, Jordi; Hammink, Roel; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Probing Through-Space Polar-π Interactions in 2,6-Diarylphenols.","The Journal of organic chemistry","2019","84","6","3632","3637","10.1021/acs.joc.8b03147","","","0.71073","MoKα","","0.0595","0.0423","","","0.1038","0.1109","","","","","","1.036","","","","has coordinates","222468","2020-10-21","18:00:00",""
"4033894","11.3799","0.001","7.7646","0.0008","20.862","0.002","90","","113.081","0.008","90","","1695.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Hoque, Injamam Ul; Chowdhury, Soumyadeep Roy; Maity, Soumitra","Photoredox-Catalyzed Intermolecular Radical Arylthiocyanation/Arylselenocyanation of Alkenes: Access to Aryl-Substituted Alkylthiocyanates/Alkylselenocyanates.","The Journal of organic chemistry","2019","84","6","3025","3035","10.1021/acs.joc.8b03155","","","0.71073","MoKα","","0.1298","0.0739","","","0.1674","0.1932","","","","","","1.036","","","","has coordinates","222469","2020-10-21","18:00:00",""
"4033895","15.6001","0.0016","7.2148","0.0007","12.1001","0.0012","90","","99.063","0.005","90","","1344.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Vbchem310_a","","","- C13 H13 N O3 S2 -","- C13 H13 N O3 S2 -","- C52 H52 N4 O12 S8 -","4","1","","Mahato, Sachinta; Santra, Sougata; Zyryanov, Grigory V.; Majee, Adinath","Metal-Free Amidation Reactions of Terminal Alkynes with Benzenesulfonamide.","The Journal of organic chemistry","2019","84","6","3176","3183","10.1021/acs.joc.8b03065","","","0.71073","MoKα","","0.0776","0.062","","","0.1812","0.2067","","","","","","1.342","","","","has coordinates","222470","2020-10-21","18:00:00",""
"4033896","8.2223","0.0005","13.7606","0.0007","41.901","0.003","90","","92.92","0.006","90","","4734.7","0.5","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 O -","- C34 H30 O -","- C272 H240 O8 -","8","2","","Martínez-Abadía, Marta; Antonicelli, Gabriella; Saeki, Akinori; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Isolation and Characterization of the Unexpected 1- n-Octyloxyperopyrene: A Solution-Processable p-Type Organic Semiconductor.","The Journal of organic chemistry","2019","84","6","3270","3274","10.1021/acs.joc.8b03207","","x-ray","1.54184","CuKα","","0.1608","0.1194","","","0.3253","0.371","","","","","","1.166","","","","has coordinates","222471","2020-10-21","18:00:00",""
"4033897","9.2495","0.0005","15.2792","0.0008","34.4997","0.0017","90","","90","","90","","4875.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H69 Cl6 N O6 S3 -","- C41 H69 Cl6 N O6 S3 -","- C164 H276 Cl24 N4 O24 S12 -","4","1","","Ayer, Suraj K.; Roizen, J. L.","Sulfamate Esters Guide C(3)-Selective Xanthylation of Alkanes.","The Journal of organic chemistry","2019","84","6","3508","3523","10.1021/acs.joc.9b00105","","","0.71073","MoKα","","0.0903","0.0782","","","0.2179","0.2252","","","","","","1.145","","","","has coordinates,has disorder","222472","2020-10-21","18:00:00",""
"4033898","11.0214","0.0008","17.6814","0.0012","8.6332","0.0005","90","","105.803","0.002","90","","1618.8","0.19","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F N2 O -","- C19 H19 F N2 O -","- C76 H76 F4 N8 O4 -","4","1","","Iida, Asumi; Matsuoka, Mizuki; Hasegawa, Hiroshi; Vanthuyne, Nicolas; Farran, Daniel; Roussel, Christian; Kitagawa, Osamu","N-C Axially Chiral Compounds with an ortho-Fluoro Substituent and Steric Discrimination between Hydrogen and Fluorine Atoms Based on a Diastereoselective Model Reaction.","The Journal of organic chemistry","2019","84","6","3169","3175","10.1021/acs.joc.8b03043","","","0.71073","MoKα","","0.0694","0.053","","","0.1524","0.1657","","","","","","1.132","","","","has coordinates,has disorder","222473","2020-10-21","18:00:00",""
"4033899","6.9296","0.0002","13.6851","0.0003","18.2162","0.0004","90","","90","","90","","1727.48","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Wu, Guo-Jie; Zhang, Yuan-He; Tan, Dong-Xing; He, Long; Cao, Bao-Chen; He, Yu-Peng; Han, Fu-She","Synthetic Studies on Enantioselective Total Synthesis of Cyathane Diterpenoids: Cyrneines A and B, Glaucopine C, and (+)-Allocyathin B<sub>2</sub>.","The Journal of organic chemistry","2019","84","6","3223","3238","10.1021/acs.joc.8b03138","","","1.54178","CuKα","","0.0366","0.0353","","","0.0921","0.0936","","","","","","1.068","","","","has coordinates","222474","2020-10-21","18:00:00",""
"4033900","9.0771","0.0002","10.5122","0.0003","14.57","0.0004","90","","90","","90","","1390.27","0.06","303","2","303.38","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0385","0.0344","","","0.0838","0.0866","","","","","","1.072","","","","has coordinates","222476","2020-10-21","18:00:00",""
"4033901","13.5577","0.0005","14.5611","0.0005","6.8904","0.0002","90","","90","","90","","1360.27","0.08","304","2","303.95","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0358","0.0324","","","0.0765","0.079","","","","","","1.044","","","","has coordinates","222477","2020-10-21","18:00:00",""
"4033902","7.3786","0.0002","11.8974","0.0003","8.0186","0.0002","90","","96.195","0.001","90","","699.81","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Lu, Bin; Wu, Xiaoyu; Li, Chengyang; Ding, Guangni; Li, Wanfang; Xie, Xiaomin; Zhang, Zhaoguo","Highly Diastereo- and Enantioselective Access to syn-α-Amido β-Hydroxy Esters via Ruthenium-Catalyzed Dynamic Kinetic Resolution-Asymmetric Hydrogenation.","The Journal of organic chemistry","2019","84","6","3201","3213","10.1021/acs.joc.8b03106","","","1.54178","CuKα","","0.0226","0.0225","","","0.0617","0.0618","","","","","","1.044","","","","has coordinates","222478","2020-10-21","18:00:00",""
"4033903","6.9218","0.0001","10.1926","0.0001","13.0782","0.0002","90","","90","","90","","922.68","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 F2 N O3 -","- C8 H11 F2 N O3 -","- C32 H44 F8 N4 O12 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","0.71073","MoKα","","0.0329","0.0315","","","0.0814","0.0829","","","","","","1.056","","","","has coordinates","222479","2020-10-21","18:00:00",""
"4033904","7.42","0.0002","13.6927","0.0003","24.5834","0.0005","90","","90","","90","","2497.67","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0382","0.0373","","","0.0914","0.092","","","","","","1.095","","","","has coordinates","222480","2020-10-21","18:00:00",""
"4033905","8.8181","0.0005","10.3879","0.0006","18.1295","0.001","90","","90","","90","","1660.69","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F2 N O4 -","- C17 H21 F2 N O4 -","- C68 H84 F8 N4 O16 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0321","0.0302","","","0.0721","0.0733","","","","","","1.034","","","","has coordinates","222481","2020-10-21","18:00:00",""
"4033906","8.6279","0.0001","26.7808","0.0005","9.8839","0.0002","90","","110.472","0.001","90","","2139.55","0.07","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N4 O11 -","- C22 H20 N4 O11 -","- C88 H80 N16 O44 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0749","0.0438","","0.1052","0.0938","0.1052","","","","","","0.9482","","","","has coordinates","222482","2020-10-21","18:00:00",""
"4033907","7.0347","0.0002","9.4014","0.0002","10.0921","0.0003","88.6579","0.0018","77.6969","0.0014","69.8404","0.0018","611.26","0.03","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0464","0.0378","","0.103","0.098","0.103","","","","","","0.9826","","","","has coordinates","222483","2020-10-21","18:00:00",""
"4033908","9.5083","0.0004","10.2316","0.0003","13.3051","0.0006","110.082","0.002","97.268","0.002","100.494","0.002","1170.04","0.08","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C25 H27 N O7 S -","- C25 H27 N O7 S -","- C50 H54 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0656","0.0522","","0.1459","0.1351","0.1459","","","","","","0.9931","","","","has coordinates","222484","2020-10-21","18:00:00",""
"4033909","6.9388","0.0001","13.9009","0.0002","23.9512","0.0004","90","","90","","90","","2310.23","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O12 -","- C23 H24 N4 O12 -","- C92 H96 N16 O48 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0373","0.0316","","0.0784","0.076","0.0784","","","","","","1.0022","","","","has coordinates","222485","2020-10-21","18:00:00",""
"4033910","10.8031","0.0002","7.9845","0.0001","25.7942","0.0004","90","","90.498","0.0007","90","","2224.86","0.06","200","","200","","","","","","","","local","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Br N O Si -","- C21 H32 Br N O Si -","- C84 H128 Br4 N4 O4 Si4 -","4","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0571","0.0367","","0.0678","0.0626","0.0678","","","","","","0.9702","","","","has coordinates","222486","2020-10-21","18:00:00",""
"4033911","9.9367","0.0003","9.0913","0.0002","13.3553","0.0005","90","","109.642","0.0015","90","","1136.28","0.06","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0506","0.0439","","0.1155","0.1104","0.1155","","","","","","0.9915","","","","has coordinates","222487","2020-10-21","18:00:00",""
"4033912","8.2756","0.0002","11.1263","0.0004","14.685","0.0005","90","","90","","90","","1352.15","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N -","- C15 H18 Br N -","- C60 H72 Br4 N4 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0366","0.0286","","0.0636","0.0604","0.0636","","","","","","1.015","","","","has coordinates","222488","2020-10-21","18:00:00",""
"4033913","14.1046","0.0002","7.5282","0.0001","23.5058","0.0003","90","","98.4742","0.0009","90","","2468.65","0.06","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O12 -","- C24 H24 N4 O12 -","- C96 H96 N16 O48 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.064","0.0431","","0.1098","0.1006","0.1098","","","","","","0.953","","","","has coordinates","222489","2020-10-21","18:00:00",""
"4033914","5.0292","0.0008","7.7369","0.0011","13.795","0.002","101.537","0.006","91.971","0.009","107.637","0.008","498.6","0.13","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.1109","0.0947","","0.2574","0.2388","0.2574","","","","","","0.9891","","","","has coordinates","222490","2020-10-21","18:00:00",""
"4033915","10.47","0.0001","20.6793","0.0003","22.5086","0.0004","90","","90","","90","","4873.39","0.12","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O8 S -","- C26 H27 N O8 S -","- C208 H216 N8 O64 S8 -","8","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.063","0.0417","","0.0905","0.0822","0.0905","","","","","","0.9746","","","","has coordinates","222491","2020-10-21","18:00:00",""
"4033916","9.9369","0.0002","9.0908","0.0002","13.3586","0.0003","90","","109.636","0.0012","90","","1136.56","0.04","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0369","0.033","","0.0843","0.0819","0.0843","","","","","","0.997","","","","has coordinates","222492","2020-10-21","18:00:00",""
"4033917","5.026","0.0003","7.73","0.0004","13.7908","0.0008","101.669","0.003","91.92","0.004","107.523","0.004","497.8","0.05","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0626","0.0537","","0.1507","0.1403","0.1507","","","","","","0.986","","","","has coordinates","222493","2020-10-21","18:00:00",""
"4033918","9.8432","0.0008","10.4209","0.0009","14.3197","0.0012","83.441","0.005","74.668","0.004","84.081","0.005","1403.2","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N2 O5 S -","- C31 H24 N2 O5 S -","- C62 H48 N4 O10 S2 -","2","1","","Wang, Cong-Shuai; Li, Tian-Zhen; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric [4 + 1] Cyclization of Benzofuran-Derived Azadienes with 3-Chlorooxindoles.","The Journal of organic chemistry","2019","84","6","3214","3222","10.1021/acs.joc.8b03004","","","1.34139","GaKα","","0.0515","0.0439","","","0.1074","0.1122","","","","","","1.025","","","","has coordinates","222494","2020-10-21","18:00:00",""
"4033919","13.2965","0.0018","13.779","0.0019","14.0142","0.0019","80.486","0.005","67.315","0.005","81.251","0.005","2325.3","0.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’,5’-diphenylspiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C27 H23 Br N2 O5 -","- C27 H23 Br N2 O5 -","- C108 H92 Br4 N8 O20 -","4","2","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0477","0.0334","","","0.0862","0.0905","","","","","","1.041","","","","has coordinates","222495","2020-10-21","18:00:00",""
"4033920","9.3745","0.0004","13.6791","0.0005","19.4916","0.0007","90","","90","","90","","2499.5","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (3S,5’S)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H25 Br N2 O5 -","- C28 H25 Br N2 O5 -","- C112 H100 Br4 N8 O20 -","4","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0539","0.0384","","","0.0731","0.0781","","","","","","1.032","","","","has coordinates","222496","2020-10-21","18:00:00",""
"4033921","10.3368","0.0003","11.0441","0.0003","11.4495","0.0003","92.369","0.001","100.655","0.001","107.446","0.001","1218.91","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H25 Br N2 O5 -","- C28 H25 Br N2 O5 -","- C56 H50 Br2 N4 O10 -","2","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0606","0.0406","","","0.0817","0.0893","","","","","","1.03","","","","has coordinates","222497","2020-10-21","18:00:00",""
"4033922","11.1221","0.0002","16.7305","0.0003","16.8112","0.0003","63.004","0.001","89.656","0.001","82.779","0.001","2760.62","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(3RS,4’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-4’,3’’-indoline]-2,2’’-dione","","- C33 H31 N3 O3 S -","- C33 H31 N3 O3 S -","- C132 H124 N12 O12 S4 -","4","2","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","","0.71073","MoKα","","0.0624","0.0452","","","0.1157","0.1272","","","","","","1.027","","","","has coordinates","222498","2020-10-21","18:00:00",""
"4033923","10.2975","0.0006","10.7029","0.0006","11.6095","0.0006","107.177","0.002","97.379","0.002","100.333","0.002","1180.01","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-2-oxo-1’-phenyl-5’-(p-tolyl)spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H26 N2 O5 -","- C28 H26 N2 O5 -","- C56 H52 N4 O10 -","2","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0568","0.0419","","","0.1115","0.1181","","","","","","1.061","","","","has coordinates","222499","2020-10-21","18:00:00",""
"4033924","9.9951","0.0008","33.343","0.003","10.4541","0.0008","90","","113.228","0.001","90","","3201.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3RS,3’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-3’,3’’-indoline]-2,2’’-dione","","- C35 H37 N3 O4 S2 -","- C35 H37 N3 O4 S2 -","- C140 H148 N12 O16 S8 -","4","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","","0.71073","MoKα","","0.0476","0.043","","","0.1126","0.116","","","","","","1.043","","","","has coordinates","222500","2020-10-21","18:00:00",""
"4033925","14.8333","0.00013","33.6758","0.0003","7.13456","0.00007","90","","98.9993","0.0009","90","","3520.01","0.06","200","3","200","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Cl N2 O5 Pd -","- C35 H39 Cl N2 O5 Pd -","- C140 H156 Cl4 N8 O20 Pd4 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","1.54184","CuKα","","0.0569","0.0533","","","0.1424","0.1446","","","","","","1.076","","","","has coordinates,has disorder","222501","2020-10-21","18:00:00",""
"4033926","15.7195","0.0003","15.3316","0.0002","10.94788","0.00019","90","","92.1608","0.0015","90","","2636.62","0.08","100","3","100","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl3 N3 O4 Pd -","- C28 H20 Cl3 N3 O4 Pd -","- C112 H80 Cl12 N12 O16 Pd4 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","0.71073","MoKα","","0.0404","0.0336","","","0.0722","0.0755","","","","","","1.209","","","","has coordinates,has disorder","222502","2020-10-21","18:00:00",""
"4033927","14.6496","0.0003","8.8096","0.0002","16.5349","0.0003","90","","111.902","0.002","90","","1979.93","0.08","100","3","100","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O4 S2 -","- C22 H16 N2 O4 S2 -","- C88 H64 N8 O16 S8 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","0.71073","MoKα","","0.0446","0.0364","","","0.0952","0.1011","","","","","","1.035","","","","has coordinates","222503","2020-10-21","18:00:00",""
"4033928","17.2486","0.0002","10.17867","0.00017","6.17147","0.00011","90","","90","","90","","1083.51","0.03","101.95","0.1","101.95","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","1-(4-nitrophenyl)-4-chloro-piperidine","1-(4-nitrophenyl)-4-chloro-piperidine","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C44 H52 Cl4 N8 O8 -","4","0.5","","Ebule, Rene; Mudshinge, Sagar; Nantz, Michael H.; Mashuta, Mark S.; Hammond, Gerald B.; Xu, Bo","A 5 + 1 Protic Acid Assisted Aza-Pummerer Approach for Synthesis of 4-Chloropiperidines from Homoallylic Amines.","The Journal of organic chemistry","2019","84","6","3249","3259","10.1021/acs.joc.8b03162","","","0.71073","MoKα","","0.0364","0.032","","","0.0722","0.0746","","","","","","1.042","","","","has coordinates","222504","2020-10-21","18:00:00",""
"4033929","13.95","0.004","11.207","0.003","15.265","0.005","90","","112.269","0.004","90","","2208.5","1.1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Chen, Shanping; Jiang, Pingyu; Wang, Pu; Pei, Yong; Huang, Huawen; Xiao, Fuhong; Deng, Guo-Jun","Three-Component Cascade Synthesis of Carbazoles through [1s,6s] Sigmatropic Shift under Metal-Free Conditions.","The Journal of organic chemistry","2019","84","6","3121","3131","10.1021/acs.joc.8b02994","","","0.71073","MoKα","","0.121","0.0886","","","0.1387","0.1506","","","","","","1.231","","","","has coordinates","222505","2020-10-21","18:00:00",""
"4033930","26.475","0.0008","10.6566","0.0003","18.45","0.0006","90","","90","","90","","5205.4","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","NFL-T22","","- C41 H47 I3 O2 S12 -","- C41 H47 I3 O2 S12 -","- C164 H188 I12 O8 S48 -","4","1","","Fleck, Nico; Hett, Tobias; Brode, Jonas; Meyer, Andreas; Richert, Sabine; Schiemann, Olav","C-C Cross-Coupling Reactions of Trityl Radicals: Spin Density Delocalization, Exchange Coupling, and a Spin Label.","The Journal of organic chemistry","2019","84","6","3293","3303","10.1021/acs.joc.8b03229","","","0.71073","MoKα","","0.0789","0.0653","","","0.1403","0.1497","","","","","","1.027","","","","has coordinates","222506","2020-10-21","18:00:00",""
"4033931","10.4114","0.0005","7.6195","0.0002","16.5784","0.0007","90","","103.281","0.004","90","","1279.99","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Yang, Zhen; Jiang, Kun; Chen, Ying-Chun; Wei, Ye","Copper-Catalyzed Dihydroquinolinone Synthesis from Isocyanides and O-Benzoyl Hydroxylamines.","The Journal of organic chemistry","2019","84","6","3725","3734","10.1021/acs.joc.9b00262","","","0.71073","MoKα","","0.0816","0.0657","","","0.1748","0.193","","","","","","1.033","","","","has coordinates","222507","2020-10-21","18:00:00",""
"4033932","10.7766","0.0004","7.8221","0.0003","13.4995","0.0006","90","","94.552","0.004","90","","1134.36","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I O2 -","- C11 H8 Br I O2 -","- C44 H32 Br4 I4 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0381","0.0292","","","0.0606","0.0655","","","","","","1.061","","","","has coordinates","222508","2020-10-21","18:00:00",""
"4033933","10.6794","0.0005","7.5795","0.0003","13.4516","0.0006","90","","92.023","0.004","90","","1088.15","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br2 O2 -","- C11 H8 Br2 O2 -","- C44 H32 Br8 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0295","0.025","","","0.0667","0.0681","","","","","","1.046","","","","has coordinates","222510","2020-10-21","18:00:00",""
"4033934","10.7391","0.0004","7.356","0.0003","13.5262","0.0004","90","","90.473","0.003","90","","1068.49","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cl O2 -","- C11 H8 Br Cl O2 -","- C44 H32 Br4 Cl4 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.052","0.0536","","","","","","1.06","","","","has coordinates","222511","2020-10-21","18:00:00",""
"4033935","21.409","0.003","5.8925","0.0006","10.5126","0.0013","90","","98.052","0.012","90","","1313.1","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0976","0.0763","","","0.1872","0.2067","","","","","","1.083","","","","has coordinates","222512","2020-10-21","18:00:00",""
"4033936","6.7921","0.0004","24.5033","0.0012","10.1829","0.0004","90","","90","","90","","1694.73","0.15","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 Cl O3 -","- C9 H7 Cl O3 -","- C72 H56 Cl8 O24 -","8","2","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.063","0.0498","","","0.1118","0.1231","","","","","","1.061","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033937","5.4376","0.0003","9.2746","0.0005","19.1403","0.0012","90","","97.111","0.006","90","","957.85","0.1","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0502","0.0379","","","0.0872","0.0967","","","","","","1.056","","","","has coordinates","222514","2020-10-21","18:00:00",""
"4033938","5.5637","0.0004","16.8977","0.0013","19.6894","0.0016","90","","97.368","0.004","90","","1835.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0594","0.0458","","","0.1193","0.1288","","","","","","1.101","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033939","9.4459","0.0005","11.1306","0.0007","13.0768","0.0009","98.277","0.003","90.181","0.003","106.478","0.003","1303.27","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H27 N5 -","- C35 H27 N5 -","- C70 H54 N10 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0514","0.0374","","","0.0901","0.097","","","","","","1.048","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033940","9.9444","0.0005","30.8977","0.0016","10.1941","0.0005","90","","103.583","0.003","90","","3044.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N5 -","- C39 H35 N5 -","- C156 H140 N20 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0834","0.0542","","","0.1421","0.1599","","","","","","1.047","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033941","11.5095","0.0005","6.0108","0.0002","15.9991","0.0007","90","","109.073","0.001","90","","1046.08","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 -","- C15 H10 N2 -","- C60 H40 N8 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0486","0.0393","","","0.0983","0.1041","","","","","","1.046","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033942","8.1343","0.0004","11.9258","0.0006","18.2918","0.001","90","","90","","90","","1774.45","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Br N2 O6 -","- C20 H13 Br N2 O6 -","- C80 H52 Br4 N8 O24 -","4","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","x-ray","0.71073","MoKα","","0.036","0.0315","","","0.0689","0.071","","","","","","1.0493","","","","has coordinates","222516","2020-10-21","18:00:00",""
"4033943","6.90037","0.00013","7.8322","0.00017","16.9797","0.0004","82.7874","0.0018","85.8772","0.0017","79.2104","0.0017","893.21","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O6 -","- C20 H13 Br N2 O6 -","- C40 H26 Br2 N4 O12 -","2","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","x-ray","0.71073","MoKα","","0.0325","0.029","","","0.0708","0.0733","","","","","","1.048","","","","has coordinates","222517","2020-10-21","18:00:00",""
"4033944","7.8843","0.0004","10.4889","0.0005","16.211","0.0009","80.468","0.004","87.624","0.004","73.089","0.005","1264.9","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Br O6 S -","- C30 H19 Br O6 S -","- C60 H38 Br2 O12 S2 -","2","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","","0.71073","MoKα","","0.0468","0.0383","","","0.0926","0.0987","","","","","","1.039","","","","has coordinates","222518","2020-10-21","18:00:00",""
"4033945","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C156 H162 -","- C156 H162 -","- C312 H324 -","2","0.5","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1069","0.0931","","","0.3243","0.339","","","","","","1.537","","","","has coordinates,has disorder","222519","2020-10-21","18:00:00",""
"4033946","16.57","0.003","42.93","0.009","57.47","0.012","90","","96.72","0.03","90","","40600","14","95","2","95","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C260 H270 -","- C260 H270 -","- C1040 H1080 -","4","2","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.75","synchrotron","","0.1421","0.0927","","","0.2568","0.3055","","","","","","0.968","","","","has coordinates,has disorder","222520","2020-10-21","18:00:00",""
"4033947","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","","","- C208 H216 -","- C194.352 H185.292 -","- C777.408 H741.168 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.0982","0.0893","","","0.2758","0.287","","","","","","1.026","","","","has coordinates,has disorder","222521","2020-10-21","18:00:00",""
"4033948","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C180 H210 Cl24 -","- C179.998 H209.984 Cl23.998 -","- C359.996 H419.968 Cl47.996 -","2","0.5","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1496","0.1387","","","0.3864","0.404","","","","","","1.898","","","","has coordinates,has disorder","222522","2020-10-21","18:00:00",""
"4033949","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C218 H226 Cl30 -","- C218 H226 Cl30 -","- C872 H904 Cl120 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.1527","0.1405","","","0.4142","0.4283","","","","","","1.896","","","","has coordinates,has disorder","222524","2020-10-21","18:00:00",""
"4033950","19.82","0.004","20.51","0.004","38.69","0.008","81.65","0.03","78.06","0.03","77.99","0.03","14965","6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C460 H251 Cl7 -","- C460 H251 Cl7 -","- C920 H502 Cl14 -","2","1","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1772","0.133","","","0.3685","0.4073","","","","","","1.621","","","","has coordinates,has disorder","222525","2020-10-21","18:00:00",""
"4033951","28.1237","0.0012","10.7016","0.0006","16.0023","0.0007","90","","94.248","0.004","90","","4803","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cl N O5 -","- C28 H22 Cl N O5 -","- C224 H176 Cl8 N8 O40 -","8","1","","Fernández, Patricia; Valdés, Carlos; Fañanás, Francisco J; Rodríguez, Félix","Unusual Reactivity of Isoquinolinones Generated by Silver-Catalyzed Cycloisomerizations of Imines Derived from ortho-Alkynylsalicylaldehydes.","The Journal of organic chemistry","2019","84","6","3184","3191","10.1021/acs.joc.8b03081","","","1.54184","CuKα","","0.0501","0.0443","","","0.1196","0.1266","","","","","","1.054","","","","has coordinates","222526","2020-10-21","18:00:00",""
"4033952","10.3778","0.0006","11.0907","0.0005","14.7661","0.001","75.263","0.005","76.775","0.005","67.089","0.005","1497.82","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Br N O9 -","- C31 H30 Br N O9 -","- C62 H60 Br2 N2 O18 -","2","1","","Fernández, Patricia; Valdés, Carlos; Fañanás, Francisco J; Rodríguez, Félix","Unusual Reactivity of Isoquinolinones Generated by Silver-Catalyzed Cycloisomerizations of Imines Derived from ortho-Alkynylsalicylaldehydes.","The Journal of organic chemistry","2019","84","6","3184","3191","10.1021/acs.joc.8b03081","","","1.5418","CuKα","","0.052","0.0447","","","0.1171","0.1272","","","","","","1.047","","","","has coordinates,has disorder","222527","2020-10-21","18:00:00",""
"4033953","9.0692","0.0009","9.9319","0.0008","15.9479","0.0014","90","","90","","90","","1436.5","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71075","MoKα","","0.0498","0.042","","","0.1078","0.1184","","","","","","1.042","","","","has coordinates","222528","2020-10-21","18:00:00",""
"4033954","11.756","0.004","17.147","0.005","9.519","0.003","90","","113.778","0.004","90","","1756","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N O3 -","- C19 H22 B N O3 -","- C76 H88 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0811","0.0667","","","0.185","0.2005","","","","","","1.045","","","","has coordinates,has disorder","222529","2020-10-21","18:00:00",""
"4033955","10.5088","0.0012","10.1424","0.0012","27.846","0.003","90","","90","","90","","2968","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B N O3 -","- C15 H20 B N O3 -","- C120 H160 B8 N8 O24 -","8","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0557","0.0364","","","0.1039","0.123","","","","","","1.104","","","","has coordinates","222530","2020-10-21","18:00:00",""
"4033956","14.8806","0.0019","10.6387","0.0014","10.1915","0.0013","90","","97.091","0.002","90","","1601.1","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B N O3 -","- C16 H22 B N O3 -","- C64 H88 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0617","0.0413","","","0.1231","0.1409","","","","","","1.074","","","","has coordinates","222531","2020-10-21","18:00:00",""
"4033957","11.9881","0.0003","16.7094","0.0003","9.6243","0.0002","90","","90.162","0.002","90","","1927.87","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 B N O3 -","- C19 H28 B N O3 -","- C76 H112 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","1.54178","CuKα","","0.0521","0.0409","","","0.1094","0.1168","","","","","","1.029","","","","has coordinates,has disorder","222532","2020-10-21","18:00:00",""
"4033958","7.431","0.005","8.205","0.005","12.763","0.005","79.853","0.005","80.198","0.005","71.077","0.005","719.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 F3 N2 -","- C17 H9 F3 N2 -","- C34 H18 F6 N4 -","2","1","","Chen, Zhengwang; Liang, Pei; Xu, Fan; Deng, Zhen; Long, Lipeng; Luo, Guotian; Ye, Min","Metal-Free Aminothiation of Alkynes: Three-Component Tandem Annulation toward Indolizine Thiones from 2-Alkylpyridines, Ynals, and Elemental Sulfur.","The Journal of organic chemistry","2019","84","19","12639","12647","10.1021/acs.joc.9b01802","","","0.71069","MoKα","","0.115","0.0684","","","0.1484","0.17","","","","","","1.111","","","","has coordinates,has disorder","222533","2020-10-21","18:00:00",""
"4033959","8.8092","0.0003","11.4234","0.0004","17.0959","0.0005","90","","101.841","0.003","90","","1683.77","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-oxo-2-phenylindolin-2-yl)-2-phenylacetonitrile","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of Stereodefined 2-(3-Oxoindolin-2-yl)-2-Arylacetonitriles via One-Pot Reaction of Indoles with Nitroalkenes.","The Journal of organic chemistry","2019","84","19","12420","12429","10.1021/acs.joc.9b01874","","x-ray","1.54184","CuKα","","0.0482","0.0444","","","0.1215","0.1248","","","","","","1.076","","","","has coordinates","222534","2020-10-21","18:00:00",""
"4033960","9.3188","0.0003","7.4995","0.0002","25.0534","0.0006","90","","99.986","0.003","90","","1724.36","0.08","150.1","0.3","150.1","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-methyl-3-oxo-2-phenylindolin-2-yl)-2-phenylacetonitrile","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of Stereodefined 2-(3-Oxoindolin-2-yl)-2-Arylacetonitriles via One-Pot Reaction of Indoles with Nitroalkenes.","The Journal of organic chemistry","2019","84","19","12420","12429","10.1021/acs.joc.9b01874","","x-ray","1.54184","CuKα","","0.0512","0.0435","","","0.1142","0.1217","","","","","","1.043","","","","has coordinates","222535","2020-10-21","18:00:00",""
"4033961","13.0203","0.0014","6.0434","0.0006","16.2047","0.0018","90","","101.8","0.011","90","","1248.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C58 H50 N6 O12 -","2","1","","Ramaraju, Panduga; Pawar, Amol Prakash; Iype, Eldhose; Mir, Nisar A.; Choudhary, Sachin; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and <i>N</i>-Aryl Imines with DFT Calculations.","The Journal of organic chemistry","2019","84","19","12408","12419","10.1021/acs.joc.9b01865","","","0.71073","MoKα","","0.0597","0.0418","","","0.0782","0.0887","","","","","","1.009","","","","has coordinates","222536","2020-10-21","18:00:00",""
"4033962","12.5922","0.0009","28.656","0.002","13.3383","0.001","90","","100.726","0.002","90","","4728.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H71 O3 P -","- C56 H71 O3 P -","- C224 H284 O12 P4 -","4","1","","Wagen, Corin C.; Ingoglia, Bryan T.; Buchwald, Stephen L.","Unexpected Formation of Hexasubstituted Arenes through a 2-fold Palladium-Mediated Ligand Arylation.","The Journal of organic chemistry","2019","84","19","12672","12679","10.1021/acs.joc.9b02091","","","0.71073","MoKα","","0.0561","0.0431","","","0.1105","0.1185","","","","","","1.067","","","","has coordinates,has disorder","222537","2020-10-21","18:00:00",""
"4033963","10.8819","0.0012","11.2677","0.0013","19.934","0.002","90","","92.701","0.003","90","","2441.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 S Se -","- C25 H25 N O3 S Se -","- C100 H100 N4 O12 S4 Se4 -","4","1","","Zhang, Rong; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Visible Light-Induced Co- or Cu-Catalyzed Selenosulfonylation of Alkynes: Synthesis of β-(Seleno)vinyl Sulfones.","The Journal of organic chemistry","2019","84","19","12324","12333","10.1021/acs.joc.9b01626","","","0.71073","MoKα","","0.0922","0.0627","","","0.1589","0.1773","","","","","","1.098","","","","has coordinates,has disorder","222538","2020-10-21","18:00:00",""
"4033964","8.486","0.001","15.1787","0.0018","16.604","0.002","90","","97.43","0.004","90","","2120.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 S Se -","- C23 H20 O4 S Se -","- C92 H80 O16 S4 Se4 -","4","1","","Zhang, Rong; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Visible Light-Induced Co- or Cu-Catalyzed Selenosulfonylation of Alkynes: Synthesis of β-(Seleno)vinyl Sulfones.","The Journal of organic chemistry","2019","84","19","12324","12333","10.1021/acs.joc.9b01626","","","0.71073","MoKα","","0.0582","0.0437","","","0.1134","0.1229","","","","","","1.03","","","","has coordinates","222539","2020-10-21","18:00:00",""
"4033965","10.1757","0.0002","10.8768","0.0003","13.9556","0.0004","90","","90","","90","","1544.59","0.07","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F N2 -","- C20 H17 F N2 -","- C80 H68 F4 N8 -","4","1","","Guan, Xu-Kai; Zhang, Heng; Gao, Ji-Gang; Sun, Dong-Yang; Qin, Xiang-Shuo; Jiang, Guo-Feng; Zhang, Guang-Liang; Zhang, Suoqin","Asymmetric Synthesis of 1,1,1-Triarylethanes by Chiral Imidodiphosphoric Acid Catalyzed Nucleophilic Addition of Pyrrole and Indoles to 3-Vinylindoles.","The Journal of organic chemistry","2019","84","19","12562","12572","10.1021/acs.joc.9b02024","","","0.71073","MoKα","","0.0372","0.0326","","","0.077","0.0814","","","","","","1.079","","","","has coordinates","222540","2020-10-21","18:00:00",""
"4033966","6.6474","0.0003","25.6822","0.0013","8.2626","0.0004","90","","90.123","0.004","90","","1410.59","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 I O2 -","- C16 H15 I O2 -","- C64 H60 I4 O8 -","4","1","","Li, Mengxue; Yang, Fang; Yuan, Ting; Li, Haoyang; Li, Jian; Chen, Zi-Sheng; Ji, Kegong","Syntheses of <i>Z</i>-Iodovinylfurans and 2-Acyl Furans via Controllable Cyclization of Ynenones.","The Journal of organic chemistry","2019","84","19","12617","12625","10.1021/acs.joc.9b01852","","x-ray","0.71073","MoKα","","0.0276","0.0258","","","0.0502","0.051","","","","","","1.052","","","","has coordinates","222541","2020-10-21","18:00:00",""
"4033967","7.3362","0.0003","12.5626","0.0004","24.8378","0.001","90","","96.443","0.003","90","","2274.64","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O S -","- C27 H24 N2 O S -","- C108 H96 N8 O4 S4 -","4","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Zhao, Ming-Gang; Liang, Jin-Yan","Regioselective N-Addition/Substitution Reaction of α-Alkylidene Pyrazolinones with Propargyl Sulfonium Salts to Construct Allylthio-Containing Pyrazolones.","The Journal of organic chemistry","2019","84","19","12520","12531","10.1021/acs.joc.9b02029","","x-ray","0.71073","MoKα","","0.0851","0.0527","","","0.1182","0.1361","","","","","","1.055","","","","has coordinates","222542","2020-10-21","18:00:00",""
"4033968","7.0382","0.0002","12.4284","0.0004","25.3081","0.0008","90","","95.463","0.003","90","","2203.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Br N2 O -","- C26 H21 Br N2 O -","- C104 H84 Br4 N8 O4 -","4","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Zhao, Ming-Gang; Liang, Jin-Yan","Regioselective N-Addition/Substitution Reaction of α-Alkylidene Pyrazolinones with Propargyl Sulfonium Salts to Construct Allylthio-Containing Pyrazolones.","The Journal of organic chemistry","2019","84","19","12520","12531","10.1021/acs.joc.9b02029","","x-ray","0.71073","MoKα","","0.09","0.0494","","","0.0866","0.0991","","","","","","1.024","","","","has coordinates","222543","2020-10-21","18:00:00",""
"4033969","14.3246","0.0003","14.3246","0.0003","13.4826","0.0004","90","","90","","90","","2766.55","0.12","293","","293","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Chen, Donghan; Yao, Yongqi; Yang, Wen; Lin, Qifu; Li, Huanyong; Wang, Lin; Chen, Shuqi; Tan, Yun; Yang, Dingqiao","Palladium-Catalyzed <i>syn</i>-Stereocontrolled Ring Opening of Oxabicyclic Alkenes with Arylsulfonyl Hydrazides.","The Journal of organic chemistry","2019","84","19","12481","12489","10.1021/acs.joc.9b01957","","x-ray","1.54184","CuKα","","0.0699","0.0627","","","0.1477","0.1584","","","","","","1.0415","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033970","12.8387","0.0014","8.758","0.001","15.1578","0.0018","90","","107.408","0.003","90","","1626.3","0.3","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H15 F16 O2 P -","- C37 H15 F16 O2 P -","- C74 H30 F32 O4 P2 -","2","1","","Fujii, Kohei; Ito, Shigekazu; Mikami, Koichi","Synthetic Methodologies for Perfluoroaryl-Substituted (Diaryl)methylphosphonates, -Phosphinates via S<sub>N</sub>Ar Reaction.","The Journal of organic chemistry","2019","84","19","12281","12291","10.1021/acs.joc.9b01402","","","0.71075","MoKα","","0.103","0.0576","","","0.1461","0.1901","","","","","","1.097","","","","has coordinates","222545","2020-10-21","18:00:00",""
"4033971","11.3319","0.0004","12.7598","0.0005","12.8305","0.0005","110.192","0.002","106.603","0.002","101.611","0.002","1573.1","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N O5 S Si -","- C27 H47 N O5 S Si -","- C54 H94 N2 O10 S2 Si2 -","2","1","","Domin, Sylwia; Plata, Paulina; Zambroń, Bartosz K","Diastereoselectivity Switch in the Pd(0)/InI-Mediated Reactions of β-Lactams with Aldehydes: An Entry into Nonracemic Semiprotected (3<i>E</i>)-2,6-Enediols.","The Journal of organic chemistry","2019","84","19","12268","12280","10.1021/acs.joc.9b01471","","","1.54178","CuKα","","0.1349","0.0549","","","0.1087","0.1337","","","","","","1.033","","","","has coordinates","222546","2020-10-21","18:00:00",""
"4033972","11.629","0.002","6.594","0.0013","11.819","0.002","90","","92.98","0.03","90","","905.1","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Becker, Jonathan; Schreiner, Peter R.","Syn-Dihydroxylation of Alkenes Using a Sterically Demanding Cyclic Diacyl Peroxide.","The Journal of organic chemistry","2019","84","19","12377","12386","10.1021/acs.joc.9b01748","","","0.71073","MoKα","","0.1174","0.0485","","","0.0849","0.1005","","","","","","0.948","","","","has coordinates","222547","2020-10-21","18:00:00",""
"4033973","7.8299","0.0006","10.6683","0.0007","12.3114","0.0008","94.019","0.003","106.392","0.003","111.383","0.002","901.29","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 O4 -","- C22 H26 O4 -","- C44 H52 O8 -","2","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Becker, Jonathan; Schreiner, Peter R.","Syn-Dihydroxylation of Alkenes Using a Sterically Demanding Cyclic Diacyl Peroxide.","The Journal of organic chemistry","2019","84","19","12377","12386","10.1021/acs.joc.9b01748","","","0.71073","MoKα","","0.0634","0.0558","","","0.1504","0.1548","","","","","","1.098","","","","has coordinates","222549","2020-10-21","18:00:00",""
"4033974","10.3606","0.0013","12.1928","0.0014","12.3443","0.0013","73.449","0.003","82.756","0.004","85.252","0.004","1481","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N O5 -","- C37 H33 N O5 -","- C74 H66 N2 O10 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1157","0.0576","","","0.1192","0.1396","","","","","","1.025","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033975","8.8231","0.0005","12.02","0.0006","18.5392","0.0009","100.516","0.0015","94.566","0.0017","101.37","0.0017","1881.51","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H45 N O2 -","- C43 H45 N O2 -","- C86 H90 N2 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1158","0.0707","","","0.1901","0.216","","","","","","1.041","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033976","12.465","0.005","13.193","0.005","18.105","0.006","85.557","0.01","88.764","0.011","82.243","0.01","2941.1","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O -","- C36 H34 N2 O -","- C144 H136 N8 O4 -","4","2","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3463","0.1726","","","0.3905","0.4601","","","","","","0.977","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033977","33.92","0.03","17.611","0.01","12.341","0.008","90","","108.56","0.03","90","","6989","9","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N2 O -","- C36 H34 N2 O -","- C288 H272 N16 O8 -","8","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3975","0.1748","","","0.408","0.4684","","","","","","1.057","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033978","12.8692","0.0007","14.8165","0.0008","18.1907","0.0009","94.0352","0.0015","91.0074","0.0015","112.648","0.0014","3189.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Br2 N2 O -","- C34 H28 Br2 N2 O -","- C136 H112 Br8 N8 O4 -","4","2","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1381","0.0608","","","0.1427","0.1744","","","","","","1.016","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033979","9.7033","0.0006","11.3031","0.0006","14.5288","0.0008","109.456","0.0018","99.8627","0.0017","95.9068","0.0018","1458.17","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Cl N2 O3 -","- C35 H31 Cl N2 O3 -","- C70 H62 Cl2 N4 O6 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1068","0.0548","","","0.1149","0.1348","","","","","","1.02","","","","has coordinates,has disorder","222550","2020-10-21","18:00:00",""
"4033980","10.215","0.004","12.438","0.005","13.289","0.004","66.026","0.011","87.403","0.012","73.883","0.012","1477.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Cl N2 O2 -","- C36 H33 Cl N2 O2 -","- C72 H66 Cl2 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.2721","0.0956","","","0.1976","0.259","","","","","","0.986","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033981","9.5778","0.001","11.7023","0.0012","16.5026","0.0017","73.919","0.003","73.572","0.003","84.413","0.003","1704.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 N2 O2 -","- C43 H38 N2 O2 -","- C86 H76 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1212","0.0586","","","0.1297","0.1537","","","","","","1.019","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033982","11.076","0.002","12.665","0.002","14.752","0.003","68.944","0.007","75.455","0.008","68.425","0.007","1778.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H42 N2 O2 -","- C45 H42 N2 O2 -","- C90 H84 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3547","0.1451","","","0.1826","0.224","","","","","","1.099","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033983","9.1","0.0004","14.3544","0.0004","17.5769","0.0007","90","","90","","90","","2295.98","0.15","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H26 Cl N3 O Ru -","- C25 H26 Cl N3 O Ru -","- C100 H104 Cl4 N12 O4 Ru4 -","4","1","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","1.54184","CuKα","","0.0489","0.0425","","","0.1134","0.1236","","","","","","1.064","","","","has coordinates","222551","2020-10-21","18:00:00",""
"4033984","9.2805","0.0005","12.3962","0.0007","16.8806","0.0008","107.261","0.005","92.112","0.004","95.307","0.005","1842.36","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","2","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","0.71073","MoKα","","0.0638","0.0483","","","0.1073","0.1187","","","","","","1.04","","","","has coordinates","222552","2020-10-21","18:00:00",""
"4033985","11.8814","0.0004","19.457","0.0004","11.4871","0.0004","90","","115.705","0.004","90","","2392.75","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","2","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","1.54184","CuKα","","0.053","0.0459","","","0.1248","0.1335","","","","","","1.035","","","","has coordinates","222553","2020-10-21","18:00:00",""
"4033986","8.6904","0.0005","10.4377","0.0006","11.8142","0.0007","79.06","0.002","83.239","0.002","75.759","0.002","1016.99","0.1","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O6 -","- C21 H24 Br N O6 -","- C42 H48 Br2 N2 O12 -","2","1","","Inuki, Shinsuke; Sato, Keisuke; Zui, Naoto; Yamaguchi, Ryosuke; Matsumaru, Takanori; Fujimoto, Yukari","Synthetic Studies on FNC-RED and Its Analogues Containing an All <i>syn</i>-Cyclopentanetetrol Moiety.","The Journal of organic chemistry","2019","84","19","12680","12685","10.1021/acs.joc.9b02101","","","0.71073","MoKα","","0.0339","0.0315","","","0.0842","0.088","","","","","","1.138","","","","has coordinates","222554","2020-10-21","18:00:00",""
"4033987","16.7603","0.0003","16.2554","0.0002","27.9643","0.0005","90","","90","","90","","7618.7","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C75 H14 O3 -","- C75 H14 O3 -","- C600 H112 O24 -","8","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.0878","0.0698","","","0.1671","0.189","","","","","","1.119","","","","has coordinates,has disorder","222555","2020-10-21","18:00:00",""
"4033988","10.1156","0.0002","13.4679","0.0003","28.2219","0.0005","90","","89.999","0.002","90","","3844.84","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H12 O3 S2 -","- C71 H12 O3 S2 -","- C284 H48 O12 S8 -","4","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.1454","0.1343","","","0.3397","0.3519","","","","","","1.05","","","","has coordinates,has disorder","222556","2020-10-21","18:00:00",""
"4033989","18.719","0.004","24.73","0.005","13.634","0.003","90","","90.08","0.03","90","","6311","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N2 O6 -","- C38 H30 N2 O6 -","- C304 H240 N16 O48 -","8","2","","Liu, Rongfang; Qin, Zifeng; Fan, Binbin; Li, Ruifeng; Zhou, Rong; He, Zhengjie","Phosphine-Catalyzed Chemo- and Diastereoselective [2 + 2 + 2] and [3 + 2] Annulations of γ-Methyl Allenoates with Doubly Activated Olefins: Syntheses of Highly Substituted Cyclohexanes and Cyclopentenes.","The Journal of organic chemistry","2019","84","19","12490","12498","10.1021/acs.joc.9b01968","","","0.71073","MoKα","","0.0856","0.0604","","","0.141","0.1559","","","","","","1.052","","","","has coordinates","222557","2020-10-21","18:00:00",""
"4033990","15.402","0.006","12.284","0.004","14.044","0.005","90","","101.07","0.004","90","","2607.7","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O6 -","- C29 H28 N2 O6 -","- C116 H112 N8 O24 -","4","1","","Liu, Rongfang; Qin, Zifeng; Fan, Binbin; Li, Ruifeng; Zhou, Rong; He, Zhengjie","Phosphine-Catalyzed Chemo- and Diastereoselective [2 + 2 + 2] and [3 + 2] Annulations of γ-Methyl Allenoates with Doubly Activated Olefins: Syntheses of Highly Substituted Cyclohexanes and Cyclopentenes.","The Journal of organic chemistry","2019","84","19","12490","12498","10.1021/acs.joc.9b01968","","","0.71073","MoKα","","0.0726","0.0609","","","0.1299","0.1364","","","","","","1.151","","","","has coordinates","222558","2020-10-21","18:00:00",""
"4033991","8.8801","0.0004","10.4479","0.0005","19.147","0.001","90","","91.163","0.004","90","","1776.06","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Li, Yong; Huang, Jiu-Hong; Wang, Juan-Li; Song, Gui-Ting; Tang, Dian-Yong; Yao, Fang; Lin, Hui-Kuan; Yan, Wei; Li, Hong-Yu; Xu, Zhi-Gang; Chen, Zhong-Zhu","Diversity-Oriented Synthesis of Imidazo-Dipyridines with Anticancer Activity via the Groebke-Blackburn-Bienaymé and TBAB-Mediated Cascade Reaction in One Pot.","The Journal of organic chemistry","2019","84","19","12632","12638","10.1021/acs.joc.9b01385","","","0.71073","MoKα","","0.0746","0.0503","","","0.1203","0.1354","","","","","","1.031","","","","has coordinates","222559","2020-10-21","18:00:00",""
"4033992","11.8826","0.0002","14.0278","0.0002","14.7882","0.0003","67.8036","0.0008","70.5153","0.0008","77.3415","0.001","2139.34","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C84 H136 O16 Si4 -","4","2","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0683","0.0463","","","0.1125","0.1246","","","","","","1.079","","","","has coordinates","222560","2020-10-21","18:00:00",""
"4033993","6.4887","0.0004","7.174","0.0004","25.6544","0.0015","90","","93.117","0.004","90","","1192.44","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0558","0.0411","","","0.0977","0.1067","","","","","","1.031","","","","has coordinates","222561","2020-10-21","18:00:00",""
"4033994","7.6989","0.0002","14.1778","0.0003","12.0083","0.0003","90","","105.433","0.002","90","","1263.48","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 O2 -","- C14 H17 O2 -","- C56 H68 O8 -","4","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.16","0.1031","","","0.2106","0.2306","","","","","","1.126","","","","has coordinates,has disorder","222562","2020-10-21","18:00:00",""
"4033995","6.5759","0.0001","7.0819","0.0001","13.0369","0.0003","90.667","0.001","99.802","0.001","100.196","0.001","588.269","0.018","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0412","0.037","","","0.098","0.1017","","","","","","1.064","","","","has coordinates","222563","2020-10-21","18:00:00",""
"4033996","7.7353","0.0003","12.3699","0.0004","17.0299","0.0006","90","","90","","90","","1629.5","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O7 S -","- C14 H21 N O7 S -","- C56 H84 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0242","0.0235","","0.0593","0.0588","0.0593","","","","","","1.0122","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033997","17.1318","0.0007","11.3992","0.0005","7.7486","0.0003","90","","90","","90","","1513.21","0.11","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O7 S -","- C13 H19 N O7 S -","- C52 H76 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0317","0.0298","","0.0779","0.0764","0.0779","","","","","","1.0164","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033998","6.0414","0.0001","18.1188","0.0004","32.9664","0.0006","90","","90","","90","","3608.6","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0285","0.0268","","0.0622","0.0604","0.0621","","","","","","0.9999","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033999","7.9339","0.0002","9.5184","0.0002","50.1703","0.0012","90","","90","","90","","3788.76","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0401","0.0388","","0.0737","0.0735","0.0737","","","","","","0.9965","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034000","7.4709","0.0002","9.7","0.0003","26.3803","0.0006","90","","90","","90","","1911.72","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0276","0.0265","","0.0706","0.0695","0.0706","","","","","","1.0006","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034001","8.5022","0.0001","9.5737","0.0001","21.0075","0.0003","90","","90","","90","","1709.96","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0347","0.0339","","0.0923","0.0907","0.0923","","","","","","1.0054","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034002","9.0485","0.0001","20.726","0.0003","9.711","0.0001","90","","90.9436","0.001","90","","1820.95","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0391","0.038","","0.1011","0.0994","0.1011","","","","","","1.0016","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034003","7.8667","0.0001","8.4699","0.0001","25.7707","0.0003","90","","90","","90","","1717.11","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O8 S2 -","- C13 H19 N O8 S2 -","- C52 H76 N4 O32 S8 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0342","0.0339","","0.0886","0.0881","0.0886","","","","","","1.0094","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034004","11.8798","0.0019","7.2157","0.0011","12.259","0.002","90","","114.56","0.02","90","","955.8","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 S -","- C18 H22 Cl N O5 S -","- C36 H44 Cl2 N2 O10 S2 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0931","0.073","","0.2045","0.1781","0.2045","","","","","","0.9961","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034005","9.3561","0.0003","8.2582","0.0002","10.6327","0.0003","90","","92.674","0.003","90","","820.64","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O7 S2 -","- C13 H19 N O7 S2 -","- C26 H38 N2 O14 S4 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0291","0.029","","0.0767","0.0765","0.0767","","","","","","0.9955","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034006","6.8792","0.0001","9.6131","0.0001","27.6203","0.0004","90","","90","","90","","1826.54","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 S -","- C19 H23 N O5 S -","- C76 H92 N4 O20 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0224","0.0219","","0.0566","0.0561","0.0566","","","","","","0.9954","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034007","15.819","0.0005","6.6125","0.0002","13.7597","0.0005","90","","103.292","0.002","90","","1400.75","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0557","0.0512","","","0.1408","0.1453","","","","","","1.093","","","","has coordinates","222566","2020-10-21","18:00:00",""
"4034008","9.0498","0.0001","6.4259","0.0001","14.3599","0.0002","90","","100.944","0.001","90","","819.89","0.02","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R,2R,5S,6S)-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0427","0.0401","","","0.1034","0.1063","","","","","","1.0637","","","","has coordinates","222567","2020-10-21","18:00:00",""
"4034009","6.2951","0.0001","10.3461","0.0001","10.9731","0.0001","90","","95.099","0.001","90","","711.847","0.015","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0413","0.0399","","","0.1016","0.1031","","","","","","1.068","","","","has coordinates","222568","2020-10-21","18:00:00",""
"4034010","20.0831","0.0009","7.6632","0.0003","10.9517","0.0005","90","","90","","90","","1685.48","0.13","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H14 O -","- C11 H14 O -","- C88 H112 O8 -","8","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0524","0.052","","","0.1317","0.1321","","","","","","1.098","","","","has coordinates","222569","2020-10-21","18:00:00",""
"4034011","13.207","0.003","13.296","0.003","34.839","0.007","90","","90","","90","","6118","2","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 Br N5 O4 -","- C33 H30 Br N5 O4 -","- C264 H240 Br8 N40 O32 -","8","2","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Bifunctional Squaramide-Catalyzed Asymmetric [3 + 2] Cyclization of 2-(1-Methyl-2-oxoindolin-3-yl)malononitriles with Unsaturated Pyrazolones To Construct Spirooxindole-Fused Spiropyrazolones.","The Journal of organic chemistry","2019","84","16","10209","10220","10.1021/acs.joc.9b01268","","","0.71073","MoKα","","0.0528","0.0461","","","0.095","0.0991","","","","","","1.136","","","","has coordinates","222570","2020-10-21","18:00:00",""
"4034012","15.4743","0.0013","5.3473","0.0004","15.7831","0.0013","90","","91.454","0.004","90","","1305.56","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N O2 -","- C12 H14 F3 N O2 -","- C48 H56 F12 N4 O8 -","4","2","","Chen, Mu-Wang; Yang, Qin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Synthesis of Chiral β-Fluoroalkyl β-Amino Acid Derivatives via Palladium-Catalyzed Hydrogenation.","The Journal of organic chemistry","2019","84","16","10371","10379","10.1021/acs.joc.9b01523","","","1.54178","CuKα","","0.064","0.0525","","","0.1437","0.1579","","","","","","1.057","","","","has coordinates,has disorder","222571","2020-10-21","18:00:00",""
"4034013","17.027","0.0004","7.4312","0.00016","6.8749","0.00014","90","","90","","90","","869.89","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H10 N2 O2 S -","- C7 H10 N2 O2 S -","- C28 H40 N8 O8 S4 -","4","1","","Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan","Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.","The Journal of organic chemistry","2019","84","16","10472","10480","10.1021/acs.joc.9b00983","","x-ray","1.54184","CuKα","","0.0348","0.0318","","","0.0783","0.0799","","","","","","1.071","","","","has coordinates","222572","2020-10-21","18:00:00",""
"4034014","12.6732","0.0014","15.4639","0.0007","16.0509","0.0008","114.873","0.002","96.893","0.003","94.6","0.003","2803.2","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl6 F12 N4 O4 Pd2 -","- C53 H37 Cl6 F12 N4 O4 Pd2 -","- C106 H74 Cl12 F24 N8 O8 Pd4 -","2","1","","Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan","Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.","The Journal of organic chemistry","2019","84","16","10472","10480","10.1021/acs.joc.9b00983","","","0.71073","MoKα","","0.053","0.0416","","","0.1044","0.1124","","","","","","1.033","","","","has coordinates","222573","2020-10-21","18:00:00",""
"4034015","29.2218","0.0009","9.7598","0.0004","20.4945","0.0008","90","","91.601","0.003","90","","5842.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C288 H216 N24 O48 -","12","3","","Kumar, Sandeep; Pradhan, Sourav; Roy, Subhasish; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Iron-Catalyzed Regioselective Remote C(sp<sup>2</sup>)-H Carboxylation of Naphthyl and Quinoline Amides.","The Journal of organic chemistry","2019","84","16","10481","10489","10.1021/acs.joc.9b01184","","","0.71073","MoKα","","0.1239","0.0687","","","0.1476","0.1901","","","","","","1.001","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034016","55.259","0.002","21.9278","0.0009","7.1347","0.0003","90","","90","","90","","8645.2","0.6","150","","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H23 N5 O3 S -","- C22 H23 N5 O3 S -","- C352 H368 N80 O48 S16 -","16","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0441","0.0437","","0.1287","0.1274","0.1271","","","","","","1.0196","","","","has coordinates","222575","2020-10-21","18:00:00",""
"4034017","22.113","0.003","9.141","0.008","19.164","0.002","90","","105.731","0.011","90","","3729","3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 N3 O S -","- C46 H39 N3 O S -","- C184 H156 N12 O4 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1486","0.0988","","0.1661","0.1303","0.1661","","","","","","1.0599","","","","has coordinates","222576","2020-10-21","18:00:00",""
"4034018","11.1584","0.0017","15.1108","0.0017","33.728","0.004","90","","90","","90","","5687","1.3","150.01","0.1","150.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H27 N3 O S -","- C35 H27 N3 O S -","- C280 H216 N24 O8 S8 -","8","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1304","0.0692","","0.1516","0.1069","0.1516","","","","","","0.9804","","","","has coordinates,has disorder","222577","2020-10-21","18:00:00",""
"4034019","10.406","0.001","6.819","0.0007","10.517","0.001","90","","102.1","0.01","90","","729.69","0.13","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H13 N3 O S -","- C17 H13 N3 O S -","- C34 H26 N6 O2 S2 -","2","0.5","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0464","0.043","","0.129","0.1236","0.129","","","","","","1.0511","","","","has coordinates","222578","2020-10-21","18:00:00",""
"4034020","11.812","0.0013","12.9977","0.0016","13.5311","0.0015","65.759","0.011","79.321","0.01","87.886","0.01","1859.7","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 N3 O3 S -","- C46 H39 N3 O3 S -","- C92 H78 N6 O6 S2 -","2","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.0903","0.0544","","0.1273","0.0896","0.1273","","","","","","1.0046","","","","has coordinates","222579","2020-10-21","18:00:00",""
"4034021","7.118","0.0008","17.3683","0.0017","11.5631","0.0011","90","","94.347","0.01","90","","1425.4","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.0578","0.0442","","0.0791","0.0666","0.0791","","","","","","1.0181","","","","has coordinates","222580","2020-10-21","18:00:00",""
"4034022","22.307","0.003","9.2796","0.0009","14.2356","0.0017","90","","104.766","0.014","90","","2849.5","0.6","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O3 S -","- C35 H27 N3 O3 S -","- C140 H108 N12 O12 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","1.54184","CuKα","","0.0915","0.0584","","0.1323","0.1029","0.1323","","","","","","0.9892","","","","has coordinates","222581","2020-10-21","18:00:00",""
"4034023","12.7314","0.0008","23.7964","0.0015","7.2381","0.0004","90","","90.855","0.005","90","","2192.6","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","1","","Li, Chen-Long; Yu, Zhi-Xiang","Asymmetric Synthesis of Azepine-Fused Cyclobutanes from Yne-Methylenecyclopropanes Involving Cyclopropanation/C-C Cleavage/Wagner-Meerwein Rearrangement and Reaction Mechanism.","The Journal of organic chemistry","2019","84","16","9913","9928","10.1021/acs.joc.9b01071","","","0.71073","MoKα","","0.0993","0.0718","","","0.1452","0.1552","","","","","","1.007","","","","has coordinates","222583","2020-10-21","18:00:00",""
"4034024","7.0599","0.0001","15.7538","0.0002","20.8421","0.0003","90","","90","","90","","2318.06","0.06","180","0.1","180","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O2 S -","- C27 H24 Br N O2 S -","- C108 H96 Br4 N4 O8 S4 -","4","1","","Li, Chen-Long; Yu, Zhi-Xiang","Asymmetric Synthesis of Azepine-Fused Cyclobutanes from Yne-Methylenecyclopropanes Involving Cyclopropanation/C-C Cleavage/Wagner-Meerwein Rearrangement and Reaction Mechanism.","The Journal of organic chemistry","2019","84","16","9913","9928","10.1021/acs.joc.9b01071","","x-ray","0.71073","MoKα","","0.0273","0.0253","","","0.0659","0.0669","","","","","","1.032","","","","has coordinates","222584","2020-10-21","18:00:00",""
"4034025","15.0815","0.0018","15.0815","0.0018","8.9943","0.0006","90","","90","","90","","2045.8","0.4","143","2","143","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C32 H54 Cd N12 O8 -","- C32 H54 Cd N12 O8 -","- C64 H108 Cd2 N24 O16 -","2","0.25","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71075","MoKα","","0.0319","0.0287","","","0.0699","0.0713","","","","","","1.04","","","","has coordinates,has disorder","222585","2020-10-21","18:00:00",""
"4034026","31.153","0.006","6.5006","0.0014","10.454","0.002","90","","96.184","0.007","90","","2104.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71075","MoKα","","0.1884","0.0842","","","0.1911","0.2428","","","","","","1.003","","","","has coordinates","222586","2020-10-21","18:00:00",""
"4034027","15.1672","0.0015","6.1734","0.0006","10.7592","0.0011","90","","98.628","0.009","90","","996.02","0.17","123","2","123","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H28 N6 -","- C21 H28 N6 -","- C42 H56 N12 -","2","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.0595","0.0474","","","0.1338","0.1409","","","","","","1.107","","","","has coordinates","222587","2020-10-21","18:00:00",""
"4034028","10.1187","0.0006","12.067","0.0007","10.3366","0.0006","90","","94.727","0.005","90","","1257.83","0.13","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H12 Cd N4 O7 -","- C7 H12 Cd N4 O7 -","- C28 H48 Cd4 N16 O28 -","4","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.033","0.0291","","","0.0772","0.078","","","","","","1.127","","","","has coordinates","222588","2020-10-21","18:00:00",""
"4034029","6.1286","0.0004","12.4667","0.0008","9.5271","0.0008","90","","104.044","0.008","90","","706.15","0.09","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N4 -","- C14 H20 N4 -","- C28 H40 N8 -","2","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.0548","0.0439","","","0.1046","0.1106","","","","","","1.1","","","","has coordinates","222589","2020-10-21","18:00:00",""
"4034030","13.6074","0.0006","15.3263","0.0006","32.0745","0.0013","90","","92.113","0.002","90","","6684.6","0.5","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N6 O27 -","- C60 H74 N6 O27 -","- C240 H296 N24 O108 -","4","1","","Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.","The Journal of organic chemistry","2019","84","16","10518","10525","10.1021/acs.joc.9b01463","","","1.54178","CuKα","","0.0771","0.0547","","","0.1359","0.1495","","","","","","1.019","","","","has coordinates","222590","2020-10-21","18:00:00",""
"4034031","5.3084","0.0003","14.0286","0.0008","25.1623","0.0013","90","","90","","90","","1873.82","0.18","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O8 -","- C18 H22 N2 O8 -","- C72 H88 N8 O32 -","4","1","","Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.","The Journal of organic chemistry","2019","84","16","10518","10525","10.1021/acs.joc.9b01463","","x-ray","1.54178","CuKα","","0.0295","0.0271","","","0.0651","0.0662","","","","","","1.033","","","","has coordinates","222591","2020-10-21","18:00:00",""
"4034032","7.2298","0.0008","8.3505","0.0009","16.1942","0.0018","100.223","0.002","97.236","0.002","100.386","0.002","933.71","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0465","0.0444","","","0.1168","0.1188","","","","","","1.064","","","","has coordinates","222592","2020-10-21","18:00:00",""
"4034033","16.1706","0.0015","12.591","0.001","17.2521","0.0014","90","","107.106","0.002","90","","3357.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 F5 N2 O4 S -","- C17 H9 F5 N2 O4 S -","- C136 H72 F40 N16 O32 S8 -","8","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0344","0.0319","","","0.0932","0.0957","","","","","","1.06","","","","has coordinates","222593","2020-10-21","18:00:00",""
"4034034","4.937","0.0001","14.7611","0.0004","17.1017","0.0004","90","","90","","90","","1246.3","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0295","0.0287","","","0.075","0.0758","","","","","","1.048","","","","has coordinates","222594","2020-10-21","18:00:00",""
"4034035","11.189","0.003","11.474","0.002","14.86","0.003","84.479","0.009","87.969","0.01","77.882","0.009","1856.4","0.7","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","2","","Mallick, Rajendra K.; Dutta, Shubham; Vanjari, Rajeshwer; Voituriez, Arnaud; Sahoo, Akhila K.","Thioarylative Radical Cyclization of Yne-Dienone.","The Journal of organic chemistry","2019","84","16","10509","10517","10.1021/acs.joc.9b01445","","","0.71073","MoKα","","0.1453","0.0609","","","0.1083","0.1335","","","","","","1.0631","","","","has coordinates","222595","2020-10-21","18:00:00",""
"4034036","11.454","0.002","9.9349","0.0019","9.8667","0.0017","90","","98.818","0.007","90","","1109.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl F2 N O2 -","- C10 H8 Cl F2 N O2 -","- C40 H32 Cl4 F8 N4 O8 -","4","1","","Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao","Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds.","The Journal of organic chemistry","2019","84","16","10449","10458","10.1021/acs.joc.9b01808","","","0.71073","MoKα","","0.0544","0.0468","","","0.1357","0.1452","","","","","","1.042","","","","has coordinates","222596","2020-10-21","18:00:00",""
"4034037","4.6067","0.0006","9.4142","0.0012","11.9555","0.0015","84.496","0.005","87.781","0.005","89.35","0.005","515.7","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cl F N O2 -","- C10 H9 Cl F N O2 -","- C20 H18 Cl2 F2 N2 O4 -","2","1","","Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao","Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds.","The Journal of organic chemistry","2019","84","16","10449","10458","10.1021/acs.joc.9b01808","","","0.71073","MoKα","","0.0405","0.0367","","","0.1058","0.1096","","","","","","1.07","","","","has coordinates","222597","2020-10-21","18:00:00",""
"4034038","6.79503","0.0001","9.34296","0.00015","12.13842","0.00019","70.5234","0.0005","84.0295","0.0005","84.7558","0.0005","721.255","0.019","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl N3 O2 -","- C16 H14 Cl N3 O2 -","- C32 H28 Cl2 N6 O4 -","2","1","","Donikela, Sangeetha; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Metal Free Domino β-Azidation/[3 + 2] Cycloaddition Reaction for the Synthesis of 1,2,3-Triazole-Fused Dihydrobenzoxazinones.","The Journal of organic chemistry","2019","84","16","10546","10553","10.1021/acs.joc.9b01660","","","0.71073","MoKα","","0.0555","0.0429","","","0.1093","0.117","","","","","","1.025","","","","has coordinates","222598","2020-10-21","18:00:00",""
"4034039","8.9488","0.0015","10.0892","0.0016","10.5117","0.0017","88.917","0.005","87.835","0.005","71.809","0.005","901","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br2 Cl Cu N4 -","- C18 H11 Br2 Cl Cu N4 -","- C36 H22 Br4 Cl2 Cu2 N8 -","2","1","","Das, Siuli; Sinha, Suman; Samanta, Deepannita; Mondal, Rakesh; Chakraborty, Gargi; Brandaõ, Paula; Paul, Nanda D.","Metal-Ligand Cooperative Approach To Achieve Dehydrogenative Functionalization of Alcohols to Quinolines and Quinazolin-4(3<i>H</i>)-ones under Mild Aerobic Conditions.","The Journal of organic chemistry","2019","84","16","10160","10171","10.1021/acs.joc.9b01343","","","0.71073","MoKα","","0.0774","0.0553","","","0.1001","0.1124","","","","","","1.165","","","","has coordinates","222599","2020-10-21","18:00:00",""
"4034040","8.4055","0.0009","9.6574","0.001","10.6928","0.0011","67.685","0.003","70.571","0.003","66.514","0.003","719.45","0.13","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O -","- C18 H28 O -","- C36 H56 O2 -","2","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0581","0.0427","","","0.0998","0.1095","","","","","","1.045","","","","has coordinates","222600","2020-10-21","18:00:00",""
"4034041","8.3036","0.0012","8.4034","0.0012","11.042","0.0017","83.627","0.007","87.534","0.007","87.47","0.006","764.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 Cl6 -","- C34 H30 Cl6 -","- C34 H30 Cl6 -","1","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0972","0.088","","","0.2958","0.3012","","","","","","1.139","","","","has coordinates,has disorder","222601","2020-10-21","18:00:00",""
"4034042","8.3688","0.0007","12.6818","0.0011","12.7859","0.0011","109.626","0.002","95.549","0.003","90.117","0.003","1271.3","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 O2 -","- C32 H40 O2 -","- C64 H80 O4 -","2","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0567","0.0413","","","0.1081","0.1187","","","","","","1.032","","","","has coordinates","222602","2020-10-21","18:00:00",""
"4034043","13.8935","0.0015","7.9659","0.0009","11.9709","0.0013","90","","93.358","0.001","90","","1322.6","0.3","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 -","- C36 H36 -","- C72 H72 -","2","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","x-ray","0.79942","synchrotron","","0.0427","0.0407","","","0.1014","0.1031","","","","","","1.069","","","","has coordinates","222603","2020-10-21","18:00:00",""
"4034044","30.492","0.003","6.8073","0.0008","12.6172","0.0014","90","","90.618","0.002","90","","2618.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C36 H36 -","- C36 H36 -","- C144 H144 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0422","0.0377","","","0.0933","0.0968","","","","","","1.035","","","","has coordinates","222604","2020-10-21","18:00:00",""
"4034045","12.2567","0.0012","17.8763","0.0018","13.3141","0.0013","90","","103.004","0.002","90","","2842.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 O2 -","- C38 H44 O2 -","- C152 H176 O8 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0602","0.043","","","0.1045","0.1183","","","","","","1.025","","","","has coordinates","222605","2020-10-21","18:00:00",""
"4034046","9.7346","0.0002","10.0564","0.0002","10.2632","0.0002","106.851","0.001","109.506","0.001","105.474","0.001","829.51","0.03","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H52 -","- C44 H52 -","- C44 H52 -","1","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0412","0.038","","","0.1053","0.1088","","","","","","1.008","","","","has coordinates","222606","2020-10-21","18:00:00",""
"4034047","13.0562","0.0004","14.1031","0.0004","22.1469","0.0006","82.25","0.001","74.037","0.001","62.82","0.001","3487.58","0.18","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H52 -","- C44 H52 -","- C176 H208 -","4","2","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0565","0.0415","","","0.0993","0.11","","","","","","1.023","","","","has coordinates","222607","2020-10-21","18:00:00",""
"4034048","18.9017","0.0016","26.689","0.003","6.9776","0.0006","90","","90","","90","","3520","0.6","152","2","152","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C44 H52 -","- C44 H52 -","- C176 H208 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","1.54178","CuKα","","0.0598","0.0347","","","0.0789","0.0829","","","","","","1.016","","","","has coordinates,has disorder","222608","2020-10-21","18:00:00",""
"4034049","20.807","0.005","10.896","0.003","10.885","0.003","90","","100.437","0.005","90","","2426.9","1.1","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 Fe N4 O3 -","- C23 H19 F3 Fe N4 O3 -","- C92 H76 F12 Fe4 N16 O12 -","4","1","","Han, Liuqing; Li, Ke; Xu, Haitong; Mei, Tao; Sun, Yali; Qu, Jingping; Song, Yuming","<i>N</i>-TFA-Gly-Bt-Based Stereoselective Synthesis of Substituted 3-Amino Tetrahydro-2<i>H</i>-pyran-2-ones via an Organocatalyzed Cascade Process.","The Journal of organic chemistry","2019","84","16","10526","10534","10.1021/acs.joc.9b01488","","","0.71073","MoKα","","0.062","0.055","","","0.1383","0.1424","","","","","","1.001","","","","has coordinates","222609","2020-10-21","18:00:00",""
"4034050","7.0218","0.0015","11.174","0.002","13.221","0.003","90","","90","","90","","1037.3","0.4","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Bi, Hong-Yan; Du, Min; Pan, Cheng-Xue; Xiao, Yuhong; Su, Gui-Fa; Mo, Dong-Liang","Nickel(II)-Catalyzed [5 + 1] Annulation of 2-Carbonyl-1-propargylindoles with Hydroxylamine To Synthesize Pyrazino[1,2-<i>a</i>]indole-2-oxides in Water.","The Journal of organic chemistry","2019","84","16","9859","9868","10.1021/acs.joc.9b00784","","","0.71073","MoKα","","0.0442","0.0355","","","0.0923","0.1001","","","","","","1.041","","","","has coordinates","222610","2020-10-21","18:00:00",""
"4034051","10.2715","0.0008","16.4258","0.0014","18.109","0.002","90","","90","","90","","3055.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 Cl N2 O3 -","- C36 H35 Cl N2 O3 -","- C144 H140 Cl4 N8 O12 -","4","1","","Lu, Hong; Zhang, Huan-Xin; Tan, Chang-Yin; Liu, Jin-Yu; Wei, Hao; Xu, Peng-Fei","One-Pot Asymmetric Synthesis of Spiropyrazolone-Linked Cyclopropanes and Benzofurans through a General Michael Addition/Chlorination/Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2019","84","16","10292","10305","10.1021/acs.joc.9b01454","","","0.71073","MoKα","","0.0785","0.0515","","","0.0956","0.1126","","","","","","1.05","","","","has coordinates","222611","2020-10-21","18:00:00",""
"4034052","10.5347","0.0006","29.1222","0.0016","8.5149","0.0004","90","","111.16","0.006","90","","2436.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N3 O4 S -","- C27 H26 N3 O4 S -","- C108 H104 N12 O16 S4 -","4","1","","Lu, Hong; Zhang, Huan-Xin; Tan, Chang-Yin; Liu, Jin-Yu; Wei, Hao; Xu, Peng-Fei","One-Pot Asymmetric Synthesis of Spiropyrazolone-Linked Cyclopropanes and Benzofurans through a General Michael Addition/Chlorination/Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2019","84","16","10292","10305","10.1021/acs.joc.9b01454","","","1.54184","CuKα","","0.0598","0.0523","","","0.1421","0.1486","","","","","","1.098","","","","has coordinates","222612","2020-10-21","18:00:00",""
"4034053","9.0345","0.0006","13.5168","0.0006","9.3716","0.0006","90","","113.131","0.008","90","","1052.43","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.0394","0.0359","","","0.0799","0.0824","","","","","","1.027","","","","has coordinates","222613","2020-10-21","18:00:00",""
"4034054","12.2321","0.0015","7.4711","0.0009","13.3738","0.0016","90","","110.067","0.003","90","","1148","0.2","300","","300.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.08","0.0575","","","0.1405","0.1563","","","","","","1.037","","","","has coordinates,has disorder","222614","2020-10-21","18:00:00",""
"4034055","9.024","0.0009","13.3762","0.0013","18.311","0.002","90","","103.731","0.003","90","","2147.1","0.4","273","0.2","273","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl N2 O4 S -","- C21 H23 Cl N2 O4 S -","- C84 H92 Cl4 N8 O16 S4 -","4","1","","Hajra, Saumen; Hazra, Atanu; Abu Saleh, S. K.","One-Pot Synthesis of Enantiopure Spiro[3,4-dihydrobenzo[<i>b</i>][1,4]oxazine-2,3'-oxindole] via Regio- and Stereoselective Tandem Ring Opening/Cyclization of Spiroaziridine Oxindoles with Bromophenols.","The Journal of organic chemistry","2019","84","16","10412","10421","10.1021/acs.joc.9b01611","","","0.71073","MoKα","","0.0421","0.0405","","","0.1042","0.1057","","","","","","1.037","","","","has coordinates","222615","2020-10-21","18:00:00",""
"4034056","13.8238","0.001","16.1894","0.0012","31.377","0.002","90","","90","","90","","7022.1","0.9","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H72 Cl2 N6 O22 Si2 -","- C60 H72 Cl2 N6 O22 Si2 -","- C240 H288 Cl8 N24 O88 Si8 -","4","1","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","","0.71073","MoKα","","0.1613","0.0456","","","0.0985","0.1229","","","","","","0.886","","","","has coordinates,has disorder","222616","2020-10-21","18:00:00",""
"4034057","7.5537","0.0007","12.8817","0.0011","13.5102","0.0013","107.124","0.008","94.728","0.008","90.025","0.007","1251.6","0.2","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C27 H22 Cl N3 O8 -","- C27 H22 Cl N3 O8 -","- C54 H44 Cl2 N6 O16 -","2","2","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","x-ray","0.71073","MoKα","","0.0745","0.0465","","","0.1021","0.1093","","","","","","0.913","","","","has coordinates","222617","2020-10-21","18:00:00",""
"4034058","7.7056","0.0003","19.3654","0.0009","10.8728","0.0005","90","","107.45","0.002","90","","1547.79","0.12","153","2","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 Cu N4 O4 S2 -","- C36 H26 Cu N4 O4 S2 -","- C72 H52 Cu2 N8 O8 S4 -","2","1","","Jiang, Yi; Feng, Yi-Yue; Zou, Jiao-Xia; Lei, Shuai; Hu, Xiao-Ling; Yin, Gao-Feng; Tan, Wen; Wang, Zhen","Brønsted Base-Switched Selective Mono- and Dithiolation of Benzamides via Copper Catalysis.","The Journal of organic chemistry","2019","84","16","10490","10500","10.1021/acs.joc.9b01237","","","1.54178","CuKα","","0.059","0.0569","","","0.1434","0.1464","","","","","","1.078","","","","has coordinates","222618","2020-10-21","18:00:00",""
"4034059","7.847","0.002","10.175","0.002","15.325","0.004","108.76","0.02","96.67","0.02","96.47","0.02","1136","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Cu N4 O4 S4 -","- C48 H34 Cu N4 O4 S4 -","- C48 H34 Cu N4 O4 S4 -","1","0.5","","Jiang, Yi; Feng, Yi-Yue; Zou, Jiao-Xia; Lei, Shuai; Hu, Xiao-Ling; Yin, Gao-Feng; Tan, Wen; Wang, Zhen","Brønsted Base-Switched Selective Mono- and Dithiolation of Benzamides via Copper Catalysis.","The Journal of organic chemistry","2019","84","16","10490","10500","10.1021/acs.joc.9b01237","","","0.71073","MoKα","","0.1521","0.0731","","","0.0963","0.1333","","","","","","0.978","","","","has coordinates","222619","2020-10-21","18:00:00",""
"4034060","7.1623","0.0001","11.1474","0.0002","14.1885","0.0003","90.75","0.002","90.793","0.002","101.35","0.002","1110.42","0.04","116","0.3","116","0.3","","","","","","","","6","P -1","-P 1","2","boron complex","(8,8-difluoro-6-phenyl-8H-8(lambda)4,9(lambda)4-benzo[e]pyrido[1’,2’:1,6][1,3,2]diazaborinino[5,4,3-hi]indol-5-yl)(phenyl)methanone","","- C30 H19 B F2 N2 O -","- C30 H19 B F2 N2 O -","- C60 H38 B2 F4 N4 O2 -","2","1","","Bodunov, Vladimir A.; Galenko, Ekaterina E.; Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Selective Cu-Catalyzed Intramolecular Annulation of 3-Aryl/Heteryl-2-(diazoacetyl)-1<i>H</i>-pyrroles: Synthesis of Benzo/Furo/Thieno[<i>e</i>]-Fused 1<i>H</i>-Indol-7-oles and Their Transformations.","The Journal of organic chemistry","2019","84","16","10388","10401","10.1021/acs.joc.9b01573","","x-ray","1.54184","CuKα","","0.0389","0.0356","","","0.096","0.0989","","","","","","1.051","","","","has coordinates","222620","2020-10-21","18:00:00",""
"4034061","10.5184","0.0002","10.7815","0.0002","20.6909","0.0005","90","","103.304","0.002","90","","2283.46","0.08","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","quinone","1-acetyl-2-methyl-3H-benzo[e]indole-4,5-dione","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","","Bodunov, Vladimir A.; Galenko, Ekaterina E.; Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Selective Cu-Catalyzed Intramolecular Annulation of 3-Aryl/Heteryl-2-(diazoacetyl)-1<i>H</i>-pyrroles: Synthesis of Benzo/Furo/Thieno[<i>e</i>]-Fused 1<i>H</i>-Indol-7-oles and Their Transformations.","The Journal of organic chemistry","2019","84","16","10388","10401","10.1021/acs.joc.9b01573","","x-ray","1.54184","CuKα","","0.0405","0.0386","","","0.104","0.1056","","","","","","1.07","","","","has coordinates","222621","2020-10-21","18:00:00",""
"4034062","9.2336","0.0004","9.4539","0.0004","11.6746","0.0006","81.955","0.001","89.103","0.001","82.394","0.001","1000.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F5 N3 O -","- C21 H18 F5 N3 O -","- C42 H36 F10 N6 O2 -","2","1","","Yang, Jinyue; Fu, Xiaopan; Tang, Shibiao; Deng, Kezuan; Zhang, Lili; Yang, Xianjin; Ji, Yafei","2-Amino-5,6-difluorophenyl-1<i>H</i>-pyrazole-Directed Pd<sup>II</sup> Catalysis: Arylation of Unactivated β-C(sp<sup>3</sup>)-H Bonds.","The Journal of organic chemistry","2019","84","16","10221","10236","10.1021/acs.joc.9b01276","","","0.71073","MoKα","","0.0676","0.0501","","","0.1212","0.1361","","","","","","1.039","","","","has coordinates,has disorder","222622","2020-10-21","18:00:00",""
"4034063","10.3951","0.0002","9.1572","0.0002","14.132","0.0003","90","","104.577","0.001","90","","1301.92","0.05","170","2","170.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Lv, Ningning; Chen, Zhengkai; Liu, Zhanxiang; Zhang, Yuhong","Redox-Neutral Rhodium(III)-Catalyzed Annulation of Arylhydrazines with Sulfoxonium Ylides To Synthesize 2-Arylindoles.","The Journal of organic chemistry","2019","84","20","13013","13021","10.1021/acs.joc.9b01815","","","0.71073","MoKα","","0.0582","0.0435","","","0.1028","0.1127","","","","","","1.031","","","","has coordinates","222623","2020-10-21","18:00:00",""
"4034064","8.2685","0.0015","11.592","0.002","16.655","0.003","90","","97.756","0.007","90","","1581.8","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.168","0.1184","","","0.2772","0.2999","","","","","","1.146","","","","has coordinates","222624","2020-10-21","18:00:00",""
"4034065","8.1193","0.001","9.9517","0.0014","11.3151","0.0015","72.109","0.005","74.999","0.004","83.021","0.005","839.53","0.19","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0773","0.0711","","","0.2108","0.2311","","","","","","1.03","","","","has coordinates","222625","2020-10-21","18:00:00",""
"4034066","9.8862","0.0016","10.4984","0.0017","16.003","0.002","90","","93.23","0.005","90","","1658.3","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.064","0.044","","","0.1035","0.114","","","","","","1.021","","","","has coordinates","222626","2020-10-21","18:00:00",""
"4034067","8.1744","0.0008","10.4984","0.0012","11.0518","0.0013","100.538","0.004","104.424","0.004","110.934","0.003","818.25","0.16","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0399","0.0351","","","0.0913","0.0959","","","","","","1.012","","","","has coordinates","222627","2020-10-21","18:00:00",""
"4034068","8.0869","0.001","24.59","0.003","8.1","0.001","90","","97.428","0.005","90","","1597.2","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0487","0.0427","","","0.1056","0.11","","","","","","1.025","","","","has coordinates","222628","2020-10-21","18:00:00",""
"4034069","13.5363","0.0013","15.9433","0.0016","15.9965","0.0015","90","","109.348","0.003","90","","3257.3","0.5","250","","250","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C160 H112 Cl8 N8 O8 -","8","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.1329","0.1061","","","0.2629","0.2833","","","","","","1.348","","","","has coordinates","222629","2020-10-21","18:00:00",""
"4034070","15.6137","0.0003","9.3076","0.0002","16.1577","0.0004","90","","115.593","0.003","90","","2117.75","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Lin, Peng-Peng; Han, Xiang-Lei; Ye, Guo-Hua; Li, Ji-Lin; Li, Qingjiang; Wang, Honggen","Cp*Co(III)-Catalyzed Dearomative [3 + 2] Spiroannulation of 2-Alkenylphenols with Ynamides via C-H Activation.","The Journal of organic chemistry","2019","84","20","12966","12974","10.1021/acs.joc.9b01750","","x-ray","1.54184","CuKα","","0.1246","0.1133","","","0.3116","0.3554","","","","","","1.587","","","","has coordinates","222630","2020-10-21","18:00:00",""
"4034071","7.4014","0.0005","7.4304","0.0007","13.2449","0.0009","102.731","0.007","90.884","0.006","112.838","0.008","650.66","0.1","271.94","0.1","271.94","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl N2 O2 S -","- C14 H9 Cl N2 O2 S -","- C28 H18 Cl2 N4 O4 S2 -","2","1","","Liu, Deming; Luo, Puying; Ge, Junying; Jiang, Zilin; Peng, Yiyuan; Ding, Qiuping","Synthesis of 2-Arylbenzothiazole and 2-Arylthiazole Derivatives via a Ru-Catalyzed <i>meta</i>-Selective C-H Nitration Reaction.","The Journal of organic chemistry","2019","84","20","12784","12791","10.1021/acs.joc.9b01194","","x-ray","0.71073","MoKα","","0.0734","0.0548","","","0.122","0.132","","","","","","1.08","","","","has coordinates","222631","2020-10-21","18:00:00",""
"4034072","6.4889","0.0004","7.9019","0.0006","43.923","0.003","90","","90","","90","","2252.1","0.3","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 -","- C31 H23 N3 -","- C124 H92 N12 -","4","1","","Benzai, Amal; Shi, Xinzhe; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Late-Stage Diversification of Imidazole-Based Pharmaceuticals through Pd-Catalyzed Regioselective C-H Bond Arylations.","The Journal of organic chemistry","2019","84","20","13135","13143","10.1021/acs.joc.9b01469","","x-ray","0.71073","MoKα","","0.0878","0.0752","","","0.2019","0.21","","","","","","1.058","","","","has coordinates","222632","2020-10-21","18:00:00",""
"4034073","10.0462","0.0018","18.268","0.003","13.217","0.003","90","","101.997","0.007","90","","2372.7","0.8","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C128 H96 N8 -","4","1","","Benzai, Amal; Shi, Xinzhe; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Late-Stage Diversification of Imidazole-Based Pharmaceuticals through Pd-Catalyzed Regioselective C-H Bond Arylations.","The Journal of organic chemistry","2019","84","20","13135","13143","10.1021/acs.joc.9b01469","","x-ray","0.71073","MoKα","","0.1847","0.1206","","","0.2457","0.2761","","","","","","1.074","","","","has coordinates","222633","2020-10-21","18:00:00",""
"4034074","10.6027","0.0002","10.6027","0.0002","26.41","0.0005","90","","90","","120","","2571.18","0.08","298","2","298","2","","","","","","","","4","P 61","P 61","169","","N-(1-(tert-Butylcarbamoyl)cyclohexyl)picolinamide","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C102 H150 N18 O12 -","6","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.0479","0.0453","","","0.1075","0.1107","","","","","","1.125","","","","has coordinates","222634","2020-10-21","18:00:00",""
"4034075","10.286","0.003","16.253","0.006","13.955","0.005","90","","100.124","0.015","90","","2296.6","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(1-(tert-Butylcarbamoyl)-3-(4-nitrophenyl)-cyclohexyl)-picolinamide","","- C23 H28 N4 O4 -","- C23 H28 N4 O4 -","- C92 H112 N16 O16 -","4","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.1447","0.0705","","","0.1449","0.18","","","","","","1.018","","","","has coordinates","222635","2020-10-21","18:00:00",""
"4034076","9.2453","0.0002","12.0977","0.0002","13.4707","0.0002","93.963","0.001","101.701","0.001","111.325","0.001","1357.37","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 3-(tert-butylcarbamoyl)-5-phenyl-3-(picolinamido)piperidine-1-carboxylate","","- C27 H36 N4 O4 -","- C27 H36 N4 O4 -","- C54 H72 N8 O8 -","2","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.0448","0.041","","","0.1086","0.1126","","","","","","1.038","","","","has coordinates","222636","2020-10-21","18:00:00",""
"4034077","11.38","0.0001","11.3812","0.0001","12.3023","0.0002","111.073","0.001","116.203","0.001","91.803","0.001","1299.13","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 O3 -","- C36 H26 O3 -","- C72 H52 O6 -","2","1","","Chen, Honghao; Ouyang, Lufeng; Liu, Jidan; Shi, Wen-Jing; Chen, Guoshu; Zheng, Liyao","Synthesis of Multisubstituted 1-Naphthoic Acids via Ru-Catalyzed C-H Activation and Double-Alkyne Annulation under Air.","The Journal of organic chemistry","2019","84","20","12755","12763","10.1021/acs.joc.9b00926","","x-ray","1.54184","CuKα","","0.0395","0.0371","","","0.0986","0.1003","","","","","","1.0654","","","","has coordinates","222637","2020-10-21","18:00:00",""
"4034078","8.4821","0.0016","9.528","0.002","11.401","0.002","86.007","0.007","81.243","0.008","78.568","0.007","891.9","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O2 -","- C25 H20 O2 -","- C50 H40 O4 -","2","1","","Chen, Honghao; Ouyang, Lufeng; Liu, Jidan; Shi, Wen-Jing; Chen, Guoshu; Zheng, Liyao","Synthesis of Multisubstituted 1-Naphthoic Acids via Ru-Catalyzed C-H Activation and Double-Alkyne Annulation under Air.","The Journal of organic chemistry","2019","84","20","12755","12763","10.1021/acs.joc.9b00926","","","0.71073","MoKα","","0.1318","0.0721","","","0.1256","0.1503","","","","","","1.108","","","","has coordinates","222638","2020-10-21","18:00:00",""
"4034079","9.19","0.0009","10.8639","0.0006","17.9645","0.0009","72.864","0.005","76.772","0.006","80.111","0.006","1657.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N4 O6 S -","- C35 H24 N4 O6 S -","- C70 H48 N8 O12 S2 -","2","1","","Zhang, Zhiguo; Li, Xiang; Song, Mengmeng; Wan, Yameng; Zheng, Dan; Zhang, Guisheng; Chen, Gong","Selective Removal of Aminoquinoline Auxiliary by IBX Oxidation.","The Journal of organic chemistry","2019","84","20","12792","12799","10.1021/acs.joc.9b01362","","x-ray","1.54184","CuKα","","0.0911","0.0685","","","0.1886","0.2026","","","","","","1.063","","","","has coordinates","222639","2020-10-21","18:00:00",""
"4034080","9.4331","0.0002","12.4697","0.0004","18.5213","0.0005","90","","90","","90","","2178.62","0.1","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Sun, Manman; Wu, Haijian; Xia, Xiangyu; Chen, Weida; Wang, Zhiming; Yang, Jianguo","Asymmetric Palladium-Catalyzed C-H Functionalization Cascade for Synthesis of Chiral 3,4-Dihydroisoquinolones.","The Journal of organic chemistry","2019","84","20","12835","12847","10.1021/acs.joc.9b01372","","","0.71073","MoKα","","0.035","0.0313","","","0.0773","0.0805","","","","","","1.049","","","","has coordinates","222640","2020-10-21","18:00:00",""
"4034081","10.19794","0.00019","17.6415","0.0003","14.5974","0.0003","90","","104.874","0.0018","90","","2538.18","0.09","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O3 -","- C33 H28 O3 -","- C132 H112 O12 -","4","1","","Ramesh, Perla; Satyanarayana, Gedu","Palladium-Catalyzed Aerobic Oxidative Coupling of <i>ortho</i>-(Alkynyl)styrenes with Allylic Alcohols via 6-<i>endo-dig</i> Cyclization: Regioselective Construction of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2019","84","20","12856","12870","10.1021/acs.joc.9b01240","","x-ray","1.54184","CuKα","","0.0607","0.0447","","","0.1139","0.131","","","","","","1.0894","","","","has coordinates","222641","2020-10-21","18:00:00",""
"4034082","12.5839","0.0002","15.2015","0.0002","10.7111","0.0001","90","","100.011","0.001","90","","2017.77","0.05","296.06","0.1","296.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N O S -","- C27 H17 N O S -","- C108 H68 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","x-ray","1.54184","CuKα","","0.0481","0.0394","","","0.1036","0.1073","","","","","","1.115","","","","has coordinates","222642","2020-10-21","18:00:00",""
"4034083","11.8934","0.0006","14.5713","0.0006","10.7128","0.0006","90","","104.724","0.005","90","","1795.59","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O S2 -","- C21 H13 N O S2 -","- C84 H52 N4 O4 S8 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","","0.71073","MoKα","","0.0942","0.0664","","","0.1963","0.2197","","","","","","1.028","","","","has coordinates","222643","2020-10-21","18:00:00",""
"4034084","12.1945","0.0011","14.576","0.0014","10.7976","0.0011","90","","104.165","0.01","90","","1860.9","0.3","289.1","0.4","289.1","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","x-ray","0.71073","MoKα","","0.0565","0.0441","","","0.1058","0.1127","","","","","","1.06","","","","has coordinates","222644","2020-10-21","18:00:00",""
"4034085","11.6854","0.0001","14.1168","0.0001","15.8786","0.0002","90","","105.34","0.001","90","","2526.02","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cl0 N O S -","- C29 H19 N O S -","- C116 H76 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","","1.54184","CuKα","","0.0422","0.0364","","","0.0971","0.1003","","","","","","1.05","","","","has coordinates","222645","2020-10-21","18:00:00",""
"4034086","13.1404","0.0004","15.1572","0.0005","17.8921","0.0006","66.287","0.002","68.975","0.002","80.956","0.002","3045.16","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H86 O2 P2 Pd -","- C58 H86 O2 P2 Pd -","- C116 H172 O4 P4 Pd2 -","2","1","","Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min","Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes.","The Journal of organic chemistry","2019","84","20","12913","12924","10.1021/acs.joc.9b01619","","","0.71073","MoKα","","0.0516","0.0401","","","0.0958","0.1015","","","","","","1.026","","","","has coordinates","222646","2020-10-21","18:00:00",""
"4034087","9.7128","0.0017","9.7128","0.0017","12.1114","0.0018","90","","90","","120","","989.5","0.3","173","2","173","2","","","","","","","","4","P 31","P 31","144","","","","- C17 H13 N S -","- C17 H13 N S -","- C51 H39 N3 S3 -","3","1","","Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min","Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes.","The Journal of organic chemistry","2019","84","20","12913","12924","10.1021/acs.joc.9b01619","","","0.71073","MoKα","","0.0316","0.0291","","","0.0708","0.0727","","","","","","1.05","","","","has coordinates","222648","2020-10-21","18:00:00",""
"4034088","9.2862","0.0005","6.9345","0.0004","16.3887","0.0008","90","","104.558","0.002","90","","1021.47","0.1","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Singh, Diksha; Kumar, Gangam Srikanth; Kapur, Manmohan","Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones.","The Journal of organic chemistry","2019","84","20","12881","12892","10.1021/acs.joc.9b01536","","","0.71073","MoKα","","0.1424","0.0733","","","0.1319","0.156","","","","","","1.069","","","","has coordinates","222649","2020-10-21","18:00:00",""
"4034089","9.5579","0.0008","7.3213","0.0006","10.5955","0.0009","90","","98.392","0.003","90","","733.49","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","","Singh, Diksha; Kumar, Gangam Srikanth; Kapur, Manmohan","Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones.","The Journal of organic chemistry","2019","84","20","12881","12892","10.1021/acs.joc.9b01536","","","0.71073","MoKα","","0.0937","0.0549","","","0.1254","0.1516","","","","","","0.81","","","","has coordinates","222650","2020-10-21","18:00:00",""
"4034090","15.4508","0.0001","7.7143","0.0001","16.5076","0.0001","90","","92.558","0.001","90","","1965.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-CF3PhPy)","","","- C22 H22 Cl F3 N Rh -","- C22 H22 Cl F3 N Rh -","- C88 H88 Cl4 F12 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.027","0.0266","","","0.0685","0.0689","","","","","","1.096","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034091","7.3494","0.0002","15.8182","0.0003","15.8765","0.0003","90","","90","","90","","1845.71","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp*RhCl(4-ClPhPy)","","","- C21 H22 Cl2 N Rh -","- C21 H22 Cl2 N Rh -","- C84 H88 Cl8 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0492","0.0466","","","0.134","0.1368","","","","","","1.085","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034092","7.9195","0.0001","12.0428","0.0001","12.3369","0.0001","92.107","0.001","106.389","0.001","103.329","0.001","1091.84","0.02","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Cp*RhCl(4-CNPhPy)","","","- C25 H25 Cl N2 Rh -","- C25 H25 Cl N2 Rh -","- C50 H50 Cl2 N4 Rh2 -","2","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0335","0.0332","","","0.0823","0.0825","","","","","","1.139","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034093","15.2807","0.0007","7.7634","0.0004","16.2421","0.0008","90","","93.03","0.004","90","","1924.11","0.16","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-MePhPy)","","","- C22 H25 Cl N Rh -","- C22 H25 Cl N Rh -","- C88 H100 Cl4 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","0.71073","MoKα","","0.034","0.0293","","","0.0667","0.0689","","","","","","1.047","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034094","11.5636","0.0001","7.5652","0.0001","24.188","0.0002","90","","99.451","0.001","90","","2087.27","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Cp*RhCl(4-iPrPhPy)","","","- C24 H29 Cl N Rh -","- C24 H29 Cl N Rh -","- C96 H116 Cl4 N4 Rh4 -","4","2","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0348","0.0342","","","0.0902","0.0907","","","","","","1.081","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034095","18.7685","0.0002","7.4531","0.0001","16.4415","0.0002","90","","100.344","0.001","90","","2262.52","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-tBuPhPy)","","","- C25 H31 Cl N Rh -","- C25 H31 Cl N Rh -","- C100 H124 Cl4 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0451","0.0421","","","0.1177","0.1203","","","","","","1.088","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034096","11.9245","0.0006","14.9405","0.0008","15.1635","0.0007","78.7988","0.0016","70.9373","0.0015","72.4842","0.0016","2421.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 F6 N O5 Ru -","- C23 H21 F6 N O5 Ru -","- C92 H84 F24 N4 O20 Ru4 -","4","2","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.71073","MoKα","","0.0653","0.0431","","","0.0808","0.0996","","","","","","1.166","","","","has coordinates,has disorder","222652","2020-10-21","18:00:00",""
"4034097","8.1949","0.0003","34.3121","0.0012","8.5478","0.0003","90","","107.134","0.0012","90","","2296.84","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 F6 N O4 Ru -","- C23 H21 F6 N O4 Ru -","- C92 H84 F24 N4 O16 Ru4 -","4","1","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.71073","MoKα","","0.0482","0.0397","","","0.07","0.0719","","","","","","1.214","","","","has coordinates","222653","2020-10-21","18:00:00",""
"4034098","10.125","0.002","13.337","0.003","22.762","0.005","86.02","0.03","89.99","0.03","79.1","0.03","3010.7","1.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F3 N -","- C20 H12 F3 N -","- C160 H96 F24 N8 -","8","4","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.73","synchrotron","","0.1194","0.0643","","","0.1728","0.1979","","","","","","0.91","","","","has coordinates,has disorder","222654","2020-10-21","18:00:00",""
"4034099","7.0781","0.0001","7.4819","0.0001","27.9855","0.0003","90","","90","","90","","1482.05","0.03","293","2","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H10 Cl2 O -","- C19 H10 Cl2 O -","- C76 H40 Cl8 O4 -","4","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0737","0.0745","","","","","","1.046","","","","has coordinates","222655","2020-10-21","18:00:00",""
"4034100","7.3457","0.0001","14.9098","0.0001","17.6269","0.0002","103.534","0.001","99.819","0.001","102.03","0.001","1786.23","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 N2 O -","- C49 H34 N2 O -","- C98 H68 N4 O2 -","2","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.0571","0.0518","","","0.1447","0.1505","","","","","","1.084","","","","has coordinates","222657","2020-10-21","18:00:00",""
"4034101","7.6739","0.0002","3.9538","0.0001","36.2385","0.001","90","","92.626","0.002","90","","1098.36","0.05","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1","","- C14 H9 Br O -","- C14 H9 Br O -","- C56 H36 Br4 O4 -","4","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.0506","0.0464","","","0.1348","0.1399","","","","","","1.069","","","","has coordinates","222658","2020-10-21","18:00:00",""
"4034102","7.8786","0.0009","10.9544","0.0013","29.561","0.003","90","","90","","90","","2551.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","nagib01","nagib01","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C96 H96 F24 N8 O24 S8 -","8","1","","Nakafuku, Kohki M.; Twumasi, Raymond K.; Vanitcha, Avassaya; Wappes, Ethan A.; Namitharan, Kayambu; Bekkaye, Mathieu; Nagib, David A.","Development of an Imine Chaperone for Selective C-H Functionalization of Alcohols via Radical Relay.","The Journal of organic chemistry","2019","84","20","13065","13072","10.1021/acs.joc.9b02052","","","0.71073","MoKα","","0.0429","0.0393","","","0.0863","0.0878","","","","","","1.172","","","","has coordinates","222659","2020-10-21","18:00:00",""
"4034103","4.8454","0.0002","15.6407","0.0007","19.1694","0.0008","90","","96.044","0.003","90","","1444.69","0.11","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Ethyl-6,7-Dimethoxy-2-methyl-1-thia-4a,9-diazafluoren-4-one","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","","","0.71073","MoKα","","0.0764","0.058","","","0.1456","0.155","","","","","","1.207","","","","has coordinates","222660","2020-10-21","18:00:00",""
"4034104","7.4456","0.0004","18.9043","0.0012","17.1999","0.001","90","","90.17","0.003","90","","2420.9","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-2-methyl-1-thia-4a,9-diazafluoren-4-one","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","2","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","powder diffraction","","1.54059","CuKα~1~","","","0.08488","","","0.08488","","","0.06324","0.9859","","","","","","","has coordinates","222661","2020-10-21","18:00:00",""
"4034105","7.4512","0.0002","10.1767","0.0003","13.2955","0.0004","90","","94.481","0.002","90","","1005.1","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1-thia-4a,9-diazafluoren-4-one","","- C11 H8 N2 O S -","- C11 H8 N2 O S -","- C44 H32 N8 O4 S4 -","4","1","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","","","0.71073","MoKα","","0.09","0.0789","","","0.239","0.2558","","","","","","1.09","","","","has coordinates","222662","2020-10-21","18:00:00",""
"4034106","11.188","0.003","7.6803","0.0019","26.991","0.007","90","","90","","90","","2319.3","1","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0524","0.0511","","","0.1059","0.1065","","","","","","1.236","","","","has coordinates","222663","2020-10-21","18:00:00",""
"4034107","8.431","0.002","9.685","0.002","20.623","0.006","90","","90","","90","","1684","0.7","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0499","0.0487","","","0.1208","0.1218","","","","","","1.129","","","","has coordinates","222664","2020-10-21","18:00:00",""
"4034108","8.2418","0.0005","11.7243","0.0006","8.9435","0.0006","90","","93.134","0.007","90","","862.91","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 I O6 -","- C16 H21 I O6 -","- C32 H42 I2 O12 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0468","0.0361","","","0.0614","0.0703","","","","","","1.067","","","","has coordinates","222665","2020-10-21","18:00:00",""
"4034109","7.3685","0.0004","4.8732","0.0002","13.2304","0.0007","90","","95.679","0.005","90","","472.75","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C22 H28 O4 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","1.54184","CuKα","","0.0435","0.0401","","","0.1033","0.1079","","","","","","1.044","","","","has coordinates","222666","2020-10-21","18:00:00",""
"4034110","23.5783","0.0005","23.5783","0.0005","8.8815","0.0004","90","","90","","90","","4937.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23.38 H26.75 Cl0.75 I N O7 -","- C23.373 H26.746 Cl0.747 I N O7 -","- C186.984 H213.968 Cl5.976 I8 N8 O56 -","8","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.1086","0.0463","","","0.0884","0.1111","","","","","","1.019","","","","has coordinates","222667","2020-10-21","18:00:00",""
"4034111","11.2585","0.0004","9.2137","0.0003","21.7771","0.0008","90","","101.02","0.004","90","","2217.34","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O7 -","- C20 H27 I O7 -","- C80 H108 I4 O28 -","4","2","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0458","0.0346","","","0.0621","0.0694","","","","","","1.063","","","","has coordinates","222669","2020-10-21","18:00:00",""
"4034112","7.9064","0.0003","10.648","0.0005","13.6105","0.0007","77.336","0.004","89.782","0.004","72.319","0.004","1062.72","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 I N O7 -","- C21 H22 I N O7 -","- C42 H44 I2 N2 O14 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0654","0.0514","","","0.1231","0.133","","","","","","1.076","","","","has coordinates","222670","2020-10-21","18:00:00",""
"4034113","10.9366","0.0004","10.9366","0.0004","17.1631","0.0008","90","","90","","90","","2052.86","0.14","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","2","P 42 b c","P 4c -2ab","106","","","","- C13 H8 -","- C13 H8 -","- C104 H64 -","8","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.1141","0.0931","","","0.2256","0.251","","","","","","1.014","","","","has coordinates,has disorder","222671","2020-10-21","18:00:00",""
"4034114","5.8515","0.0002","8.3931","0.0003","16.8969","0.0006","90","","93.307","0.001","90","","828.46","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.0482","0.0445","","","0.1181","0.1201","","","","","","1.166","","","","has coordinates","222672","2020-10-21","18:00:00",""
"4034115","22.3659","0.0008","9.9919","0.0004","10.6756","0.0004","90","","113.801","0.001","90","","2182.86","0.14","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N4 -","- C25 H28 N4 -","- C100 H112 N16 -","4","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.0485","0.0437","","","0.1168","0.1208","","","","","","1.073","","","","has coordinates,has disorder","222673","2020-10-21","18:00:00",""
"4034116","8.6776","0.0003","10.6049","0.0003","10.8506","0.0004","90","","90","","90","","998.53","0.06","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 I N2 -","- C8 H11 I N2 -","- C32 H44 I4 N8 -","4","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0247","0.0211","","","0.0446","0.046","","","","","","1.053","","","","has coordinates","222674","2020-10-21","18:00:00",""
"4034117","15.4514","0.001","7.7992","0.0005","7.9194","0.0004","90","","93.005","0.002","90","","953.04","0.1","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0522","0.0463","","","0.1297","0.1345","","","","","","1.095","","","","has coordinates","222675","2020-10-21","18:00:00",""
"4034118","13.8295","0.0006","5.7329","0.0002","9.3551","0.0003","90","","102.868","0.002","90","","723.07","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br4 -","- C13 H8 Br4 -","- C26 H16 Br8 -","2","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0229","0.0184","","","0.0394","0.0411","","","","","","1.054","","","","has coordinates","222676","2020-10-21","18:00:00",""
"4034119","53.283","0.002","7.945","0.0002","20.8497","0.0007","90","","91.672","0.004","90","","8822.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56.5 H45 Cl N4 O6 -","- C56.5 H45 Cl N4 O6 -","- C452 H360 Cl8 N32 O48 -","8","1","","Zhu, Shuai; Chen, Chunqi; Duan, Kang; Sun, Yun-Ming; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian","Cascade [1,5]-Hydride Transfer/Cyclization for Synthesis of [3,4]-Fused Oxindoles.","The Journal of organic chemistry","2019","84","13","8440","8448","10.1021/acs.joc.9b00489","","","1.54184","CuKα","","0.0955","0.0725","","","0.2203","0.2434","","","","","","1.039","","","","has coordinates","222677","2020-10-21","18:00:00",""
"4034120","12.582","0.0008","13.6273","0.0006","15.1251","0.001","90","","110.973","0.007","90","","2421.5","0.3","299.42","0.1","299.42","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C116 H92 N4 O12 S4 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1159","0.0637","","","0.1287","0.166","","","","","","1.068","","","","has coordinates","222678","2020-10-21","18:00:00",""
"4034121","11.2893","0.0008","9.7656","0.0007","20.2278","0.0018","90","","104.025","0.009","90","","2163.6","0.3","291.4","0.1","291.4","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1094","0.0649","","","0.1411","0.1768","","","","","","1.062","","","","has coordinates","222679","2020-10-21","18:00:00",""
"4034122","13.1392","0.0008","9.4856","0.0005","15.3103","0.0011","90","","96.132","0.007","90","","1897.3","0.2","293.35","0.1","293.35","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","","0.71073","MoKα","","0.1283","0.0747","","","0.1588","0.1969","","","","","","0.993","","","","has coordinates","222680","2020-10-21","18:00:00",""
"4034123","12.3814","0.0006","10.2462","0.0006","26.6255","0.0012","90","","100.897","0.005","90","","3316.9","0.3","292.82","0.1","292.82","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 O2 -","- C22 H15 O2 -","- C176 H120 O16 -","8","2","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1774","0.1127","","","0.2058","0.2356","","","","","","1.088","","","","has coordinates,has disorder","222681","2020-10-21","18:00:00",""
"4034124","9.0034","0.0007","15.0541","0.0013","17.4228","0.0014","90","","90","","90","","2361.5","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 B O P -","- C24 H36 B O P -","- C96 H144 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0915","0.0483","","","0.0952","0.1093","","","","","","1.043","","","","has coordinates","222682","2020-10-21","18:00:00",""
"4034125","10.5199","0.0009","14.3662","0.0012","15.8505","0.0014","90","","90","","90","","2395.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 O2 P -","- C26 H37 O2 P -","- C104 H148 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1025","0.05","","","0.0889","0.1031","","","","","","1.008","","","","has coordinates","222683","2020-10-21","18:00:00",""
"4034126","16.4461","0.0014","10.0756","0.0009","19.0236","0.0017","90","","91.813","0.001","90","","3150.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C132 H180 B6 O6 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0886","0.0493","","","0.0884","0.1002","","","","","","0.975","","","","has coordinates","222684","2020-10-21","18:00:00",""
"4034127","15.7436","0.0013","15.7436","0.0013","19.151","0.003","90","","90","","120","","4110.8","0.8","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H33 Cl2 O P Pd -","- C24 H33 Cl2 O P Pd -","- C144 H198 Cl12 O6 P6 Pd6 -","6","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0438","0.0294","","","0.0602","0.0654","","","","","","1.071","","","","has coordinates","222685","2020-10-21","18:00:00",""
"4034128","12.7166","0.0013","25.022","0.002","15.1067","0.0015","90","","90.917","0.002","90","","4806.3","0.8","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H66 Cl2 O2 P2 Pd -","- C48 H66 Cl2 O2 P2 Pd -","- C192 H264 Cl8 O8 P8 Pd4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1902","0.103","","","0.2287","0.2675","","","","","","1.103","","","","has coordinates","222686","2020-10-21","18:00:00",""
"4034129","9.6073","0.0009","19.9161","0.0018","11.0248","0.0011","90","","102.281","0.002","90","","2061.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H54 Cl2 O2 P2 Pd -","- C44 H54 Cl2 O2 P2 Pd -","- C88 H108 Cl4 O4 P4 Pd2 -","2","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0407","0.0327","","","0.0724","0.0771","","","","","","1.055","","","","has coordinates","222687","2020-10-21","18:00:00",""
"4034130","13.5362","0.0011","13.5362","0.0011","10.578","0.0009","90","","90","","90","","1938.2","0.3","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H27 O P -","- C22 H27 O P -","- C88 H108 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.078","0.0494","","","0.1312","0.1537","","","","","","1.051","","","","has coordinates","222688","2020-10-21","18:00:00",""
"4034131","9.0198","0.0007","16.1608","0.0012","16.3197","0.0013","90","","102.423","0.003","90","","2323.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 B O3 P S -","- C22 H30 B O3 P S -","- C88 H120 B4 O12 P4 S4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.073","0.045","","","0.1015","0.1142","","","","","","1.076","","","","has coordinates","222689","2020-10-21","18:00:00",""
"4034132","8.5527","0.0007","13.8487","0.0011","18.3984","0.0016","90","","90","","90","","2179.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 B O2 P -","- C22 H32 B O2 P -","- C88 H128 B4 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.061","0.04","","","0.086","0.0956","","","","","","1.076","","","","has coordinates","222690","2020-10-21","18:00:00",""
"4034133","10.2807","0.0009","22.03","0.002","19.2697","0.0018","90","","103.151","0.004","90","","4249.8","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C176 H240 B8 O8 P8 -","8","4","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1756","0.0627","","","0.0608","0.0713","","","","","","0.963","","","","has coordinates","222691","2020-10-21","18:00:00",""
"4034134","7.587","0.0007","17.8366","0.0014","19.0669","0.0015","90","","90","","90","","2580.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 B O P -","- C26 H40 B O P -","- C104 H160 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1438","0.0618","","","0.1376","0.1686","","","","","","1.006","","","","has coordinates","222692","2020-10-21","18:00:00",""
"4034135","10.0256","0.0009","13.1759","0.0011","24.608","0.002","90","","97.774","0.002","90","","3220.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29.66667 O2.33333 P -","- C23 H29.6667 O2.33333 P -","- C138 H178 O14 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1164","0.0593","","","0.1005","0.1216","","","","","","1.069","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034136","19.6012","0.0017","10.1533","0.001","9.6226","0.0007","90","","91.135","0.005","90","","1914.7","0.3","199","2","199","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 O4 P -","- C18 H27 O4 P -","- C72 H108 O16 P4 -","4","1","","Gnawali, Giri Raj; Rath, Nigam P.; Spilling, Christopher D.","Synthesis of Phostones via the Palladium-Catalyzed Ring Opening of Epoxy Vinyl Phosphonates.","The Journal of organic chemistry","2019","84","13","8724","8730","10.1021/acs.joc.9b00905","","","0.71073","MoKα","","0.1024","0.0567","","","0.1315","0.1565","","","","","","1.018","","","","has coordinates,has disorder","222694","2020-10-21","18:00:00",""
"4034137","15.323","0.004","12.952","0.004","16.534","0.004","90","","90.376","0.007","90","","3281.3","1.5","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C52 H32 -","- C52 H32 -","- C208 H128 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.1985","0.0664","","","0.1413","0.196","","","","","","0.929","","","","has coordinates","222695","2020-10-21","18:00:00",""
"4034138","26.541","0.006","8.0612","0.0019","14.582","0.003","90","","103.98","0.006","90","","3027.4","1.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 F8 -","- C48 H16 F8 -","- C192 H64 F32 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.2089","0.1676","","","0.4476","0.4729","","","","","","1.897","","","","has coordinates","222696","2020-10-21","18:00:00",""
"4034139","10.9509","0.001","14.4026","0.001","11.1531","0.0008","90","","115.094","0.005","90","","1593","0.2","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0604","0.0421","","","0.0984","0.1098","","","","","","1.031","","","","has coordinates","222697","2020-10-21","18:00:00",""
"4034140","4.0737","0.0006","14.151","0.002","14.771","0.002","66.388","0.003","86.076","0.004","82.825","0.004","773.95","0.19","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H20 Cl4 -","- C48 H20 Cl4 -","- C48 H20 Cl4 -","1","0.5","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0777","0.0644","","","0.164","0.1787","","","","","","1.079","","","","has coordinates","222698","2020-10-21","18:00:00",""
"4034141","9.9545","0.0004","13.0972","0.0005","14.456","0.0006","113.902","0.002","103.281","0.003","92.305","0.002","1658.07","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C104 H64 O8 -","4","2","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0913","0.0628","","","0.1788","0.2065","","","","","","1.04","","","","has coordinates","222699","2020-10-21","18:00:00",""
"4034142","12.5946","0.0003","7.8888","0.0002","14.168","0.0003","90","","90.068","0.001","90","","1407.68","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F2 -","- C24 H10 F2 -","- C96 H40 F8 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0656","0.0583","","","0.176","0.1836","","","","","","1.075","","","","has coordinates","222700","2020-10-21","18:00:00",""
"4034143","9.9243","0.0005","11.2351","0.0005","11.9359","0.0006","62.2087","0.0019","73.887","0.002","78.909","0.002","1127.99","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C56 H50 N2 O8 -","2","1","","Tamilarasan, V. John; Srinivasan, Kannupal","SnCl<sub>4</sub>-Promoted [3+2] Annulation of γ-Butyrolactone-Fused Donor-Acceptor Cyclopropanes with Nitriles: Access to γ-Butyrolactone-Fused 1-Pyrrolines.","The Journal of organic chemistry","2019","84","13","8782","8787","10.1021/acs.joc.9b01155","","","0.71073","MoKα","","0.0869","0.0565","","","0.1491","0.1728","","","","","","1.033","","","","has coordinates","222701","2020-10-21","18:00:00",""
"4034144","10.3107","0.0006","10.3829","0.0005","17.4771","0.001","104.728","0.002","100.754","0.002","96.778","0.002","1750.59","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","2","","Tamilarasan, V. John; Srinivasan, Kannupal","SnCl<sub>4</sub>-Promoted [3+2] Annulation of γ-Butyrolactone-Fused Donor-Acceptor Cyclopropanes with Nitriles: Access to γ-Butyrolactone-Fused 1-Pyrrolines.","The Journal of organic chemistry","2019","84","13","8782","8787","10.1021/acs.joc.9b01155","","","0.71073","MoKα","","0.0502","0.0425","","","0.1105","0.116","","","","","","1.03","","","","has coordinates","222702","2020-10-21","18:00:00",""
"4034145","7.6613","0.0013","11.554","0.002","15.043","0.002","111.486","0.006","95.884","0.007","99.339","0.007","1203.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0617","0.0446","","","0.1202","0.131","","","","","","0.957","","","","has coordinates","222703","2020-10-21","18:00:00",""
"4034146","9.113","0.0003","12.457","0.0005","16.989","0.0007","90","","100.217","0.002","90","","1898.02","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br N2 O3 -","- C22 H15 Br N2 O3 -","- C88 H60 Br4 N8 O12 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0744","0.0397","","","0.0997","0.117","","","","","","0.958","","","","has coordinates","222704","2020-10-21","18:00:00",""
"4034147","10.4313","0.0012","9.4929","0.001","14.4559","0.0017","90","","106.149","0.004","90","","1375","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0578","0.0465","","","0.1108","0.1182","","","","","","1.125","","","","has coordinates","222705","2020-10-21","18:00:00",""
"4034148","9.2227","0.0007","8.7759","0.0007","15.2553","0.0013","90","","95.299","0.003","90","","1229.45","0.17","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0487","0.0386","","","0.0996","0.1062","","","","","","1.055","","","","has coordinates","222706","2020-10-21","18:00:00",""
"4034149","10.9214","0.0003","12.1231","0.0004","13.9512","0.0004","90","","90","","90","","1847.16","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H17 F3 O4 S2 -","- C18 H17 F3 O4 S2 -","- C72 H68 F12 O16 S8 -","4","1","","Chandu, Palasetty; Ghosh, Krishna Gopal; Sureshkumar, Devarajulu","Metal-Free Visible-Light-Promoted Trifluoromethylation of Vinylcyclopropanes Using Pyrylium Salt as a Photoredox Catalyst.","The Journal of organic chemistry","2019","84","13","8771","8781","10.1021/acs.joc.9b01033","","x-ray","0.71073","MoKα","","0.0331","0.0326","","","0.0913","0.0918","","","","","","1.099","","","","has coordinates","222707","2020-10-21","18:00:00",""
"4034150","10.6391","0.0003","12.2077","0.0004","14.2342","0.0004","98.516","0.002","96.25","0.001","115.038","0.001","1625.89","0.09","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 B2 F8 N6 O Ru -","- C28 H26 B2 F8 N6 O Ru -","- C56 H52 B4 F16 N12 O2 Ru2 -","2","1","","Joarder, Dripta De; Gayen, Subrata; Sarkar, Rajarshi; Bhattacharya, Rajarshi; Roy, Sima; Maiti, Dilip K.","(Ar-tpy)Ru<sup>II</sup>(ACN)<sub>3</sub>: A Water-Soluble Catalyst for Aldehyde Amidation, Olefin Oxo-Scissoring, and Alkyne Oxygenation.","The Journal of organic chemistry","2019","84","13","8468","8480","10.1021/acs.joc.9b00487","","","0.71073","MoKα","","0.0548","0.0461","","","0.1426","0.1499","","","","","","1.125","","","","has coordinates","222708","2020-10-21","18:00:00",""
"4034151","22.9027","0.0014","11.4163","0.0006","10.272","0.0006","90","","93.066","0.004","90","","2681.9","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 B F2 N2 O2 -","- C35 H25 B F2 N2 O2 -","- C140 H100 B4 F8 N8 O8 -","4","0.5","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78238","Synchrotron","","0.0734","0.0401","","","0.0858","0.1185","","","","","","1.155","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034152","19.7722","0.0009","21.744","0.0009","10.5225","0.0005","90","","104.462","0.003","90","","4380.6","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B Cl6 F2 N2 O8 -","- C43 H39 B Cl6 F2 N2 O8 -","- C172 H156 B4 Cl24 F8 N8 O32 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78192","Synchrotron","","0.1579","0.0753","","","0.178","0.2195","","","","","","0.938","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034153","20.4379","0.0013","4.9001","0.0004","29.209","0.002","90","","103.516","0.005","90","","2844.2","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.12 H25.24 B F2 N2 O2.71 -","- C37.13 H25.26 B F2 N2 O2.71 -","- C148.52 H101.04 B4 F8 N8 O10.84 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78228","Synchrotron","","0.1412","0.0789","","","0.1943","0.2676","","","","","","1.09","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034154","10.0677","0.0018","15.21","0.003","16.893","0.003","107.238","0.007","105.281","0.007","103.689","0.007","2239.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H63 B Cl F2 N3 O3 -","- C51 H63 B Cl F2 N3 O3 -","- C102 H126 B2 Cl2 F4 N6 O6 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7022","Synchrotron","","0.097","0.0618","","","0.1495","0.1696","","","","","","0.966","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034155","27.017","0.006","13.446","0.003","14.381","0.003","90","","90","","90","","5224","2","90","2","90","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C64 H56 B Cl4 F2 N5 O2 -","- C64 H56 B Cl4 F2 N5 O2 -","- C256 H224 B4 Cl16 F8 N20 O8 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7829","Synchrotron","","0.1549","0.0692","","","0.1396","0.1838","","","","","","0.968","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034156","13.714","0.005","17.058","0.007","18.026","0.007","90","","93.14","0.005","90","","4211","3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H57 B Cl F2 N3 O2 -","- C51 H57 B Cl F2 N3 O2 -","- C204 H228 B4 Cl4 F8 N12 O8 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7829","Synchrotron","","0.1518","0.0905","","","0.2385","0.3302","","","","","","1.149","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034157","11.483","0.0005","14.3961","0.0006","17.1745","0.0007","100.007","0.003","96.081","0.003","110.114","0.003","2582.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H69 B Cl F2 N3 O8 -","- C57 H69 B Cl F2 N3 O8 -","- C114 H138 B2 Cl2 F4 N6 O16 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78229","Synchrotron","","0.0587","0.0449","","","0.0972","0.1215","","","","","","1.208","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034158","13.0397","0.0014","13.3327","0.0015","24.376","0.003","102.779","0.007","91.159","0.006","108.947","0.008","3889.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H100 B Cl4 F2 N5 O8 -","- C88 H100 B Cl4 F2 N5 O8 -","- C176 H200 B2 Cl8 F4 N10 O16 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.4307","Synchrotron","","0.103","0.0593","","","0.1389","0.1582","","","","","","1.023","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034159","14.418","0.004","18.761","0.006","6.767","0.002","90","","90","","90","","1830.4","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","1","","Liu, Jian-Quan; Chen, Xinyi; Shatskiy, Andrey; Kärkäs, Markus D; Wang, Xiang-Shan","Silver-Mediated Synthesis of Substituted Benzofuran- and Indole-Pyrroles via Sequential Reaction of <i>ortho</i>-Alkynylaromatics with Methylene Isocyanides.","The Journal of organic chemistry","2019","84","14","8998","9006","10.1021/acs.joc.9b00528","","","0.71073","MoKα","","0.0519","0.0416","","","0.0919","0.096","","","","","","1.069","","","","has coordinates","222710","2020-10-21","18:00:00",""
"4034160","9.1245","0.0001","23.3744","0.0001","14.4458","0.0001","90","","102.969","0.001","90","","3002.4","0.04","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","2","","Matsuoka, Junpei; Kumagai, Hiroshi; Inuki, Shinsuke; Oishi, Shinya; Ohno, Hiroaki","Construction of the Pyrrolo[2,3-<i>d</i>]carbazole Core of Spiroindoline Alkaloids by Gold-Catalyzed Cascade Cyclization of Ynamide.","The Journal of organic chemistry","2019","84","14","9358","9363","10.1021/acs.joc.9b01149","","x-ray","1.54184","CuKα","","0.0409","0.0398","","","0.1042","0.1048","","","","","","1.049","","","","has coordinates","222711","2020-10-21","18:00:00",""
"4034161","10.6851","0.0004","11.3861","0.0005","11.7403","0.0005","65.531","0.004","64.231","0.004","76.602","0.004","1168.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C48 H54 N2 O14 S2 -","2","1","","Xing, Siyang; Xia, Hanyu; Guo, Junshuo; Zou, Chenchen; Gao, Tingxuan; Wang, Kui; Zhu, Bolin; Pei, Meiqi; Bai, Mengpei","Diastereoselective Construction of 2-Aminoindanones via an In(OTf)<sub>3</sub>-Catalyzed Domino Reaction.","The Journal of organic chemistry","2019","84","14","8984","8997","10.1021/acs.joc.9b00876","","x-ray","1.54184","CuKα","","0.0585","0.0523","","","0.1471","0.1572","","","","","","0.985","","","","has coordinates,has disorder","222712","2020-10-21","18:00:00",""
"4034162","7.5297","0.0006","18.5627","0.0015","18.726","0.0015","90","","90","","90","","2617.4","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54184","CuKα","","0.0279","0.0278","","","0.071","0.0711","","","","","","1.074","","","","has coordinates","222713","2020-10-21","18:00:00",""
"4034163","7.51","0.005","35.163","0.011","10.914","0.003","90","","91.743","0.014","90","","2881","2","220","","220","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O8 -","- C32 H38 O8 -","- C128 H152 O32 -","4","2","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54178","CuKα","","0.0684","0.0473","","","0.1044","0.1157","","","","","","1.024","","","","has coordinates,has disorder","222713","2020-10-21","18:00:00",""
"4034164","19.3947","0.0006","17.2114","0.0005","25.7129","0.0008","90","","90","","90","","8583.2","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H20 O2 -","- C81 H20 O2 -","- C648 H160 O16 -","8","1","","Yamada, Michio; Takizawa, Mayu; Nukatani, Yoko; Suzuki, Mitsuaki; Maeda, Yutaka","Synthesis of Fullerene-Fluorene Dyads through the Platinum-Catalyzed Reactions of [60]Fullerene with 9-Ethynyl-9<i>H</i>-fluoren-9-yl Carboxylates.","The Journal of organic chemistry","2019","84","14","9025","9033","10.1021/acs.joc.9b00932","","","0.71073","MoKα","","0.101","0.0597","","","0.1391","0.177","","","","","","1.054","","","","has coordinates,has disorder","222714","2020-10-21","18:00:00",""
"4034165","33.5971","0.0016","33.5971","0.0016","33.5971","0.0016","90","","90","","90","","37923","3","150","0.1","150","0.1","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C56 H58 O13 -","- C56 H58 O13 -","- C1344 H1392 O312 -","24","1","","Baydoun, Orsola; De Rycke, Nicolas; Léonce, Estelle; Boutin, Céline; Berthault, Patrick; Jeanneau, Erwann; Brotin, Thierry","Synthesis of Cryptophane-223-Type Derivatives with Dual Functionalization.","The Journal of organic chemistry","2019","84","14","9127","9137","10.1021/acs.joc.9b01093","","x-ray","1.54184","CuKα","","0.1103","0.0778","","0.1891","0.1422","0.1891","","","","","","0.9952","","","","has coordinates","222715","2020-10-21","18:00:00",""
"4034166","10.4602","0.0015","8.879","0.0013","18.151","0.003","90","","106.568","0.004","90","","1615.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F3 N O3 S -","- C13 H24 F3 N O3 S -","- C52 H96 F12 N4 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0713","0.0466","","","0.105","0.1158","","","","","","1.066","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034167","20.03","0.0012","8.5887","0.0003","28.2407","0.0018","90","","98.171","0.005","90","","4809","0.5","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 F3 N3 O3 S -","- C20 H36 F3 N3 O3 S -","- C160 H288 F24 N24 O24 S8 -","8","2","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1482","0.0606","","","0.1562","0.1936","","","","","","0.842","","","","has coordinates,has disorder","222716","2020-10-21","18:00:00",""
"4034168","8.7974","0.0018","10.427","0.002","15.597","0.003","73.43","0.03","77.51","0.03","87.06","0.03","1338.8","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 F3 N3 O3 S -","- C24 H44 F3 N3 O3 S -","- C48 H88 F6 N6 O6 S2 -","2","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1596","0.0745","","","0.1785","0.2073","","","","","","1.02","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034169","11.416","0.002","14.042","0.003","12.413","0.003","90","","95.89","0.03","90","","1979.3","0.7","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N3 -","- C20 H37 N3 -","- C80 H148 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1269","0.0576","","","0.1303","0.1566","","","","","","0.912","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034170","15.158","0.004","7.8326","0.0018","17.317","0.006","90","","113.75","0.03","90","","1881.9","1","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 N3 -","- C19 H35 N3 -","- C76 H140 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.1457","0.09","","","0.1857","0.2073","","","","","","1.017","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034171","9.6837","0.0006","23.2094","0.0017","9.7883","0.0007","90","","94.731","0.006","90","","2192.5","0.3","120.02","0.1","120.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N3 -","- C22 H41 N3 -","- C88 H164 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0673","0.0434","","","0.1013","0.1104","","","","","","1.025","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034172","7.529","0.0015","11.82","0.002","14","0.003","90","","99.35","0.03","90","","1229.3","0.4","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 F6 N3 O6 S2 -","- C17 H27 F6 N3 O6 S2 -","- C34 H54 F12 N6 O12 S4 -","2","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.0581","0.0479","","","0.1194","0.1263","","","","","","1.069","","","","has coordinates,has disorder","222716","2020-10-21","18:00:00",""
"4034173","13.3215","0.0017","14.6644","0.0009","14.9986","0.0009","112.115","0.002","102.089","0.002","101.858","0.002","2520.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 F3 N3 O3 S -","- C22 H40 F3 N3 O3 S -","- C88 H160 F12 N12 O12 S4 -","4","2","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0748","0.0532","","","0.1271","0.1386","","","","","","1.067","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034174","15.3035","0.0009","9.3897","0.0004","12.7018","0.0006","90","","97.535","0.005","90","","1809.43","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N3 -","- C18 H33 N3 -","- C72 H132 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.081","0.0606","","","0.1343","0.1425","","","","","","1.039","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034175","10.5457","0.0003","12.63","0.0004","12.6514","0.0004","90","","106.302","0.001","90","","1617.32","0.09","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br N2 O5 S -","- C16 H13 Br N2 O5 S -","- C64 H52 Br4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhang, Hong; Chen, Xue-Lian; Qu, Ya-Li; Zhu, Qianqian; Feng, Chen-Guo; Chen, Ya-Jing","Regio- and Diastereoselective Access to 4-Imidazolidinones via an Aza-Mannich Initiated Cyclization of Sulfamate-Derived Cyclic Imines with α-Halo Hydroxamates.","The Journal of organic chemistry","2019","84","14","9179","9187","10.1021/acs.joc.9b01128","","","1.54178","cukα","","0.0331","0.0316","","","0.1093","0.1125","","","","","","0.956","","","","has coordinates","222717","2020-10-21","18:00:00",""
"4034176","8.2432","0.0002","30.8623","0.0009","7.5935","0.0002","90","","114.179","0.001","90","","1762.34","0.08","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br N2 O5 S -","- C17 H15 Br N2 O5 S -","- C68 H60 Br4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhang, Hong; Chen, Xue-Lian; Qu, Ya-Li; Zhu, Qianqian; Feng, Chen-Guo; Chen, Ya-Jing","Regio- and Diastereoselective Access to 4-Imidazolidinones via an Aza-Mannich Initiated Cyclization of Sulfamate-Derived Cyclic Imines with α-Halo Hydroxamates.","The Journal of organic chemistry","2019","84","14","9179","9187","10.1021/acs.joc.9b01128","","","1.54178","cukα","","0.0385","0.0384","","","0.1007","0.1008","","","","","","1.162","","","","has coordinates","222718","2020-10-21","18:00:00",""
"4034177","13.58","0.003","15.99","0.003","16.32","0.003","75.75","0.03","83.99","0.03","65.84","0.03","3133.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","1","0.5","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.0983","0.0726","","","0.1689","0.1893","","","","","","1.032","","","","has coordinates,has disorder","222719","2020-10-21","18:00:00",""
"4034178","48.205","0.01","10.714","0.002","23.955","0.005","90","","117.53","0.03","90","","10971","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C230 H280 N48 O58 S7 -","- C230 H280 N48 O58 S7 -","- C460 H560 N96 O116 S14 -","2","0.25","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.80246","synchrotron","","0.0905","0.0699","","","0.1652","0.1797","","","","","","1.045","","","","has coordinates,has disorder","222720","2020-10-21","18:00:00",""
"4034179","11.232","0.002","11.984","0.002","12.359","0.003","93.83","0.03","115.42","0.03","94.22","0.03","1489.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72.6 N12 O10.3 S2 -","- C60 H72.6 N12 O10.3 S2 -","- C60 H72.6 N12 O10.3 S2 -","1","0.5","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.1093","0.0651","","","0.1501","0.172","","","","","","1.003","","","","has coordinates,has disorder","222721","2020-10-21","18:00:00",""
"4034180","14.357","0.003","15.749","0.003","30.441","0.006","84.29","0.03","77.01","0.03","63.61","0.03","6008","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C119.75 H153.5 N24 O25 -","- C119.75 H153.5 N24 O25 -","- C239.5 H307 N48 O50 -","2","1","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.1506","0.0909","","","0.1765","0.2044","","","","","","1.023","","","","has coordinates,has disorder","222722","2020-10-21","18:00:00",""
"4034181","9.185","0.0005","10.8127","0.0006","13.1573","0.0007","66.694","0.002","82.606","0.002","70.197","0.002","1129.1","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0491","0.0442","","","0.1218","0.129","","","","","","1.06","","","","has coordinates","222723","2020-10-21","18:00:00",""
"4034182","9.2355","0.0018","10.511","0.0019","11.803","0.002","101.008","0.004","110.17","0.004","93.425","0.004","1045.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C52 H44 N4 O4 S2 -","2","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0456","0.0389","","","0.1184","0.1304","","","","","","0.844","","","","has coordinates","222724","2020-10-21","18:00:00",""
"4034183","12.69","0.009","11.602","0.008","16.618","0.011","90","","95.24","0.01","90","","2436","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F3 N O2 S -","- C27 H20 F3 N O2 S -","- C108 H80 F12 N4 O8 S4 -","4","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.1562","0.0811","","","0.2393","0.2925","","","","","","1.04","","","","has coordinates","222725","2020-10-21","18:00:00",""
"4034184","6.1363","0.0017","10.652","0.003","20.542","0.006","90","","90.161","0.003","90","","1342.7","0.7","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O -","- C19 H14 O -","- C76 H56 O4 -","4","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0463","0.0381","","","0.1003","0.109","","","","","","1.039","","","","has coordinates","222726","2020-10-21","18:00:00",""
"4034185","20.9298","0.0019","19.076","0.002","9.3341","0.001","90","","90","","90","","3726.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","CPC459F3a","","- C52 H37 N5 -","- C52 H37 N5 -","- C208 H148 N20 -","4","0.5","","Pérez-Caaveiro, Cristina; Oliva, María Moreno; López Navarrete, Juan T; Pérez Sestelo, José; Martínez, M Montserrat; Sarandeses, Luis A.","Synthesis of D-A-A and D-A-D Pyrimidine π-Systems Using Triorganoindium Reagents: Optical, Vibrational, and Electrochemical Studies.","The Journal of organic chemistry","2019","84","14","8870","8885","10.1021/acs.joc.9b00643","","x-ray","0.71073","MoKα","","0.1394","0.0819","","","0.152","0.1725","","","","","","1.138","","","","has coordinates","222727","2020-10-21","18:00:00",""
"4034186","8.96693","0.00009","16.838","0.0002","18.4036","0.0003","90","","90","","90","","2778.67","0.06","139.1","0.2","139.1","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O4 Si -","- C29 H36 N2 O4 Si -","- C116 H144 N8 O16 Si4 -","4","1","","Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo","Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.","The Journal of organic chemistry","2019","84","14","9138","9150","10.1021/acs.joc.9b01098","","x-ray","1.54184","CuKα","","0.0582","0.0552","","","0.1337","0.1371","","","","","","1.054","","","","has coordinates","222728","2020-10-21","18:00:00",""
"4034187","18.8993","0.0018","14.9288","0.0011","9.7511","0.0008","90","","97.083","0.009","90","","2730.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 F N2 O4 Si -","- C28 H33 F N2 O4 Si -","- C112 H132 F4 N8 O16 Si4 -","4","1","","Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo","Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.","The Journal of organic chemistry","2019","84","14","9138","9150","10.1021/acs.joc.9b01098","","","1.54184","CuKα","","0.1292","0.0682","","","0.1447","0.1867","","","","","","1.005","","","","has coordinates,has disorder","222729","2020-10-21","18:00:00",""
"4034188","27.237","0.003","10.8955","0.001","20.456","0.002","90","","121.681","0.002","90","","5165.9","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 I2 -","- C31 H22 I2 -","- C248 H176 I16 -","8","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.0482","0.0375","","","0.0941","0.1003","","","","","","1.038","","","","has coordinates,has disorder","222730","2020-10-21","18:00:00",""
"4034189","8.5401","0.0002","12.1446","0.0003","13.2015","0.0004","109.412","0.001","99.518","0.001","91.844","0.001","1267.99","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 I2 O S -","- C29 H22 I2 O S -","- C58 H44 I4 O2 S2 -","2","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.0428","0.0346","","","0.0817","0.0872","","","","","","1.074","","","","has coordinates,has disorder","222731","2020-10-21","18:00:00",""
"4034190","9.9984","0.0013","13.1822","0.0018","17.804","0.002","90","","105.23","0.003","90","","2264.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O -","- C31 H24 O -","- C124 H96 O4 -","4","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.1055","0.0594","","","0.1232","0.1428","","","","","","1.016","","","","has coordinates","222732","2020-10-21","18:00:00",""
"4034191","12.2386","0.0002","6.0866","0.0001","16.4889","0.0002","90","","92.612","0.001","90","","1227.01","0.03","99.97","0.1","99.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","x-ray","1.54184","CuKα","","0.0474","0.044","","","0.1137","0.1165","","","","","","1.048","","","","has coordinates","222733","2020-10-21","18:00:00",""
"4034192","12.2263","0.0002","6.0874","0.0001","16.4983","0.0002","90","","92.608","0.001","90","","1226.64","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","x-ray","1.54184","CuKα","","0.0428","0.0395","","","0.0965","0.0997","","","","","","1.0307","","","","has coordinates","222734","2020-10-21","18:00:00",""
"4034193","13.49","0.004","5.4363","0.0016","17.013","0.005","90","","100.674","0.012","90","","1226.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","","0.71073","MoKα","","0.1065","0.0509","","","0.102","0.12","","","","","","1.027","","","","has coordinates,has disorder","222735","2020-10-21","18:00:00",""
"4034194","16.601","0.003","12.379","0.003","5.5695","0.0011","90","","90","","90","","1144.6","0.4","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 S -","- C14 H10 N2 S -","- C56 H40 N8 S4 -","4","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0635","0.0402","","","0.0848","0.1031","","","","","","1.094","","","","has coordinates","222736","2020-10-21","18:00:00",""
"4034195","11.113","0.002","7.1958","0.0014","12.597","0.003","90","","93.19","0.03","90","","1005.8","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C44 H32 N16 S4 -","4","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0354","0.0316","","","0.0859","0.0884","","","","","","1.036","","","","has coordinates","222737","2020-10-21","18:00:00",""
"4034196","7.762","0.0016","10.205","0.002","10.415","0.002","111.03","0.03","106.7","0.03","96.14","0.03","716.9","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C32 H24 N4 S4 -","2","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0479","0.0331","","","0.0821","0.0879","","","","","","1.04","","","","has coordinates","222738","2020-10-21","18:00:00",""
"4034197","7.8041","0.0002","20.9989","0.0007","15.3544","0.0005","90","","90.969","0.001","90","","2515.88","0.13","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Br4 N8 O8 -","- C55 H40 Br4 N8 O8 -","- C110 H80 Br8 N16 O16 -","2","0.5","","Seiler, Grant S.; Hughes, Chambers C.","Progress toward the Total Synthesis of Lymphostins: Preparation of a Functionalized Tetrahydropyrrolo[4,3,2-<i>de</i>]quinoline and Unusual Oxidative Dimerization.","The Journal of organic chemistry","2019","84","14","9339","9343","10.1021/acs.joc.9b01041","","x-ray","0.71073","MoKα","","0.0418","0.0289","","","0.0621","0.0668","","","","","","1.026","","","","has coordinates,has disorder","222739","2020-10-21","18:00:00",""
"4034198","7.3227","0.0006","9.1869","0.0007","9.8318","0.0007","88.721","0.003","69.39","0.003","76.809","0.003","601.53","0.08","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 Br N3 O5 -","- C12 H6 Br N3 O5 -","- C24 H12 Br2 N6 O10 -","2","1","","Seiler, Grant S.; Hughes, Chambers C.","Progress toward the Total Synthesis of Lymphostins: Preparation of a Functionalized Tetrahydropyrrolo[4,3,2-<i>de</i>]quinoline and Unusual Oxidative Dimerization.","The Journal of organic chemistry","2019","84","14","9339","9343","10.1021/acs.joc.9b01041","","x-ray","0.71073","MoKα","","0.0288","0.0233","","","0.0531","0.0553","","","","","","1.058","","","","has coordinates,has disorder","222740","2020-10-21","18:00:00",""
"4034199","6.7116","0.0004","13.2895","0.0008","21.395","0.0012","90","","90","","90","","1908.3","0.19","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Rao, Peirong; Hu, Jialei; Xuan, Jun; Ding, Hanfeng","Total Synthesis of (-)-Pavidolide B: A Ring Contraction Strategy.","The Journal of organic chemistry","2019","84","14","9385","9392","10.1021/acs.joc.9b01308","","","0.71073","MoKα","","0.0698","0.0531","","","0.1479","0.1626","","","","","","1.057","","","","has coordinates","222741","2020-10-21","18:00:00",""
"4034200","12.2208","0.001","12.8625","0.0012","13.9416","0.0011","80.472","0.007","77.833","0.007","76.994","0.008","2071.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Trimethyl(6-benzyl-8-phenylbicyclo[4.2.1]nona-2,4,7-trien-7-yl)silane","","- C25 H28 Si -","- C25 H28 Si -","- C100 H112 Si4 -","4","2","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Nasretdinov, Ramil N.; Dzhemileva, Lilya U.; Dzhemilev, Usein M.","The Synthesis of Bicyclo[4.2.1]nona-2,4,7-trienes by [6π + 2π]-Cycloaddition of 1-Substituted 1,3,5-Cycloheptatrienes Catalyzed by Titanium and Cobalt Complexes.","The Journal of organic chemistry","2019","84","14","9058","9066","10.1021/acs.joc.9b00996","","x-ray","0.71073","MoKα","","0.1517","0.0726","","","0.1441","0.1787","","","","","","0.958","","","","has coordinates","222743","2020-10-21","18:00:00",""
"4034201","12.595","0.002","8.5075","0.0015","19.02","0.003","90","","94.282","0.007","90","","2032.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trifluoromethyl)-1H-pyrrol-3-yl)","'(Z)-1,1,1-trifluoro-3-(1-(1-(3-methoxyphenyl)-5-(trifluoromethyl) -1H-pyrrol-3-yl)-1,3-diazepan-2-ylidene)propan-2-one'","","- C20 H19 F6 N3 O2 -","- C20 H19 F6 N3 O2 -","- C80 H76 F24 N12 O8 -","4","1","","Mittersteiner, Mateus; Andrade, Valquiria P.; Zachow, Lucimara L.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Synthesis of <i>N</i>-Pyrrolyl(furanyl)-Substituted Piperazines, 1,4-Dizepanes, and 1,4-Diazocanes.","The Journal of organic chemistry","2019","84","14","8976","8983","10.1021/acs.joc.9b00867","","","1.54178","CuKα","","0.0919","0.0533","","","0.131","0.1505","","","","","","1.041","","","","has coordinates","222744","2020-10-21","18:00:00",""
"4034202","10.1554","0.0004","5.0593","0.0002","29.8899","0.0012","90","","94.423","0.002","90","","1531.15","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Propanona","'(Z)-1,1,1-trifluoro-3-(4-(5-trifluorometil)furan-3-il)-1,4-diazocan-2-ilideno)p","","- C14 H14 F6 N2 O2 -","- C14 H14 F6 N2 O2 -","- C56 H56 F24 N8 O8 -","4","1","","Mittersteiner, Mateus; Andrade, Valquiria P.; Zachow, Lucimara L.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Synthesis of <i>N</i>-Pyrrolyl(furanyl)-Substituted Piperazines, 1,4-Dizepanes, and 1,4-Diazocanes.","The Journal of organic chemistry","2019","84","14","8976","8983","10.1021/acs.joc.9b00867","","x-ray","1.54178","CuKα","","0.1279","0.0944","","","0.2571","0.2919","","","","","","1.041","","","","has coordinates,has disorder","222745","2020-10-21","18:00:00",""
"4034203","10.4348","0.0003","14.193","0.0002","24.3818","0.0005","75.235","0.002","89.058","0.002","88.786","0.002","3490.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H42 Cl2 F12 N4 O2 S2 -","- C80 H42 F10 N4 O2 S2 -","- C160 H84 F20 N8 O4 S4 -","2","1","","Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli","Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex.","The Journal of organic chemistry","2019","84","14","9067","9074","10.1021/acs.joc.9b01015","","","0.71073","MoKα","","0.1389","0.0985","","","0.2582","0.2956","","","","","","1.029","","","","has coordinates,has disorder","222746","2020-10-21","18:00:00",""
"4034204","22.3941","0.0015","13.4906","0.0004","22.8107","0.0015","90","","113.221","0.005","90","","6333.1","0.7","150","2","150","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C40 H0 F5 N2 O P S -","- C40 H18 F5 N2 O P S -","- C320 H144 F40 N16 O8 P8 S8 -","8","1","","Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli","Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex.","The Journal of organic chemistry","2019","84","14","9067","9074","10.1021/acs.joc.9b01015","","","1.54178","CuKα","","0.1396","0.0862","","","0.2272","0.2817","","","","","","1.022","","","","has coordinates,has disorder","222747","2020-10-21","18:00:00",""
"4034205","15.6454","0.0003","15.8125","0.0003","23.8504","0.0005","106.007","0.002","108.73","0.002","92.977","0.002","5306.9","0.2","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H98 Cl2.5 I4 N14.5 O26 -","- C92 H98 Cl2.5 I4 N14.5 O26 -","- C184 H196 Cl5 I8 N29 O52 -","2","1","","Huang, Wen-Long; Wang, Xu-Dong; Li, Sen; Zhang, Rui; Ao, Yu-Fei; Tang, Jun; Wang, Qi-Qiang; Wang, De-Xian","Anion Transporters Based on Noncovalent Balance including Anion-π, Hydrogen, and Halogen Bonding.","The Journal of organic chemistry","2019","84","14","8859","8869","10.1021/acs.joc.9b00561","","","0.71073","MoKα","","0.0869","0.0706","","","0.1879","0.2013","","","","","","1.062","","","","has coordinates,has disorder","222748","2020-10-21","18:00:00",""
"4034206","13.3373","0.0003","17.9188","0.0004","57.9576","0.0011","90","","93.081","0.002","90","","13831.2","0.5","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H150 Br8 Cl11 N17 O28 -","- C111 H150 Br8 Cl11 N17 O28 -","- C444 H600 Br32 Cl44 N68 O112 -","4","1","","Huang, Wen-Long; Wang, Xu-Dong; Li, Sen; Zhang, Rui; Ao, Yu-Fei; Tang, Jun; Wang, Qi-Qiang; Wang, De-Xian","Anion Transporters Based on Noncovalent Balance including Anion-π, Hydrogen, and Halogen Bonding.","The Journal of organic chemistry","2019","84","14","8859","8869","10.1021/acs.joc.9b00561","","","0.71073","MoKα","","0.1742","0.0835","","","0.1778","0.2234","","","","","","1.014","","","","has coordinates,has disorder","222749","2020-10-21","18:00:00",""
"4034207","9.0295","0.0018","10.82","0.002","12.555","0.003","67.84","0.03","79.96","0.03","73.35","0.03","1085.3","0.5","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 Br O -","- C27 H25 Br O -","- C54 H50 Br2 O2 -","2","1","","Zhao, Lei-Min; Lei, Tao; Liao, Rong-Zhen; Xiao, Hongyan; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu","Visible-Light-Triggered Selective Intermolecular [2+2] Cycloaddition of Extended Enones: 2-Oxo-3-enoates and 2,4-Dien-1-ones with Olefins.","The Journal of organic chemistry","2019","84","14","9257","9269","10.1021/acs.joc.9b01273","","","0.71073","MoKα","","0.0675","0.0481","","","0.1024","0.1122","","","","","","1.061","","","","has coordinates","222750","2020-10-21","18:00:00",""
"4034208","7.6749","0.0006","7.9266","0.0007","9.506","0.0009","95.731","0.002","91.93","0.001","112.487","0.004","530.04","0.08","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C24 H16 F4 N4 O2 -","2","1","","Lian, Guifang; Li, Jingyu; Liu, Ping; Sun, Peipei","Photoredox-Catalyzed Radical Cascade Reaction To Synthesize Fluorinated Pyrrolo[1,2-<i>d</i>]benzodiazepine Derivatives.","The Journal of organic chemistry","2019","84","14","9322","9329","10.1021/acs.joc.9b00937","","","0.71073","MoKα","","0.0761","0.0585","","","0.1798","0.1915","","","","","","1.109","","","","has coordinates","222751","2020-10-21","18:00:00",""
"4034209","20.221","0.004","20.797","0.004","15.506","0.003","90","","92.56","0.03","90","","6514","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azo-borazine-3","","","- C78 H66 B3 N9 -","- C78 H66 B3 N9 -","- C312 H264 B12 N36 -","4","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.1509","0.1017","","","0.2874","0.3449","","","","","","1.04","","","","has coordinates,has disorder","222752","2020-10-21","18:00:00",""
"4034210","13.37","0.003","19.684","0.004","18.969","0.004","90","","97.14","0.03","90","","4953.5","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tris-triflate borazine","","","- C45 H39 B3 F9 N3 O9 S3 -","- C45 H39 B3 F9 N3 O9 S3 -","- C180 H156 B12 F36 N12 O36 S12 -","4","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.0596","0.0545","","","0.1467","0.1516","","","","","","0.991","","","","has coordinates,has disorder","222753","2020-10-21","18:00:00",""
"4034211","10.84","0.002","17.26","0.003","18.41","0.004","114.82","0.01","95.05","0.006","91","0.006","3108.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tert-butyldimethylsilyl (TBDMS)-protected borazine","","","- C61.5 H87 B3 N3 O3.5 Si3 -","- C61.5 H87 B3 N3 O3.5 Si3 -","- C123 H174 B6 N6 O7 Si6 -","2","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.0529","0.0521","","","0.1421","0.1426","","","","","","1.027","","","","has coordinates,has disorder","222754","2020-10-21","18:00:00",""
"4034212","24.5782","0.0007","4.6272","0.0001","25.8074","0.0007","90","","93.14","0.002","90","","2930.62","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N O4 -","- C38 H32 N O4 -","- C152 H128 N4 O16 -","4","1","","Strom, Kyle R.; Szostak, Jack W.; Prywes, Noam","Transfer of Sequence Information and Replication of Diimine Duplexes.","The Journal of organic chemistry","2019","84","7","3754","3761","10.1021/acs.joc.9b00095","","","1.54178","CuKα","","0.0855","0.0576","","","0.1499","0.1647","","","","","","1.076","","","","has coordinates,has disorder","222755","2020-10-21","18:00:00",""
"4034213","8.0811","0.0005","8.9936","0.0005","16.6202","0.0011","94.273","0.005","97.317","0.005","110.25","0.005","1114.87","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 F3 N O4 S -","- C26 H16 F3 N O4 S -","- C52 H32 F6 N2 O8 S2 -","2","1","","Shaikh, Aslam C.; Banerjee, Somsuvra; Mule, Ravindra D.; Bera, Saibal; Patil, Nitin T.","External Oxidant-Dependent Reactivity Switch in Copper-Mediated Intramolecular Carboamination of Alkynes: Access to a Different Class of Fluorescent Ionic Nitrogen-Doped Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2019","84","7","4120","4130","10.1021/acs.joc.9b00120","","x-ray","0.71073","MoKα","","0.086422","0.062539","","","","0.220207","","","","","","1.30437","","","","has coordinates","222756","2020-10-21","18:00:00",""
"4034214","8.4075","0.0007","8.928","0.0008","16.9361","0.0014","75.688","0.007","85.72","0.007","69.64","0.008","1154.76","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H14 Cl F3 N O4 S -","- C26 H14 Cl F3 N O4 S -","- C52 H28 Cl2 F6 N2 O8 S2 -","2","1","","Shaikh, Aslam C.; Banerjee, Somsuvra; Mule, Ravindra D.; Bera, Saibal; Patil, Nitin T.","External Oxidant-Dependent Reactivity Switch in Copper-Mediated Intramolecular Carboamination of Alkynes: Access to a Different Class of Fluorescent Ionic Nitrogen-Doped Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2019","84","7","4120","4130","10.1021/acs.joc.9b00120","","x-ray","0.71073","MoKα","","0.0794","0.0594","","","0.1901","0.2187","","","","","","0.784","","","","has coordinates","222757","2020-10-21","18:00:00",""
"4034215","7.3885","0.001","11.9192","0.0016","17.597","0.002","96.437","0.002","90.969","0.002","98.162","0.002","1523.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C80 H52 Br4 N8 O4 -","4","2","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1219","0.0569","","","0.1246","0.1441","","","","","","0.987","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034216","7.732","0.002","21.217","0.006","8.849","0.002","90","","92.94","0.004","90","","1449.8","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0941","0.0477","","","0.1214","0.1394","","","","","","1.031","","","","has coordinates","222759","2020-10-21","18:00:00",""
"4034217","5.6465","0.0008","10.1339","0.0015","31.872","0.005","90","","90","","90","","1823.7","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C104 H68 N12 O4 -","4","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1317","0.0772","","","0.1929","0.2199","","","","","","0.929","","","","has coordinates,has disorder","222760","2020-10-21","18:00:00",""
"4034218","28.3133","0.0006","7.5509","0.0002","15.6708","0.0003","90","","109.509","0.001","90","","3157.93","0.12","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C160 H104 Br8 N16 O8 -","8","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0732","0.0389","","","0.0973","0.1134","","","","","","1.01","","","","has coordinates,has disorder","222761","2020-10-21","18:00:00",""
"4034219","15.5365","0.0007","15.5527","0.0007","25.5575","0.0011","76.77","0.001","76.127","0.001","89.681","0.001","5828.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C320 H224 N32 O16 -","16","8","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1111","0.0435","","","0.0984","0.1176","","","","","","0.846","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034220","29.7977","0.0005","7.5553","0.0001","16.4954","0.0003","90","","100.342","0.001","90","","3653.29","0.1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C208 H136 N24 O8 -","8","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0575","0.048","","","0.1393","0.15","","","","","","1.035","","","","has coordinates","222763","2020-10-21","18:00:00",""
"4034221","5.5694","0.0001","16.5355","0.0004","30.0961","0.0006","90","","90","","90","","2771.63","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 F3 N S -","- C16 H10 F3 N S -","- C128 H80 F24 N8 S8 -","8","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Wei, Xi; Cao, Bao-Qian; Wang, Xi-Cun; Quan, Zheng-Jun","AgSCF<sub>3</sub>/Na<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Promoted Trifluoromethylthiolation/Cyclization of o-Propargyl Arylazides/ o-Alkynyl Benzylazides: Synthesis of SCF<sub>3</sub>-Substituted Quinolines and Isoquinolines.","The Journal of organic chemistry","2019","84","7","4165","4178","10.1021/acs.joc.9b00181","","","0.71073","MoKα","","0.0427","0.0279","","","0.0606","0.0631","","","","","","0.954","","","","has coordinates","222764","2020-10-21","18:00:00",""
"4034222","9.9275","0.0004","30.6826","0.0008","10.2669","0.0005","90","","117.756","0.006","90","","2767.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N S -","- C16 H10 F3 N S -","- C128 H80 F24 N8 S8 -","8","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Wei, Xi; Cao, Bao-Qian; Wang, Xi-Cun; Quan, Zheng-Jun","AgSCF<sub>3</sub>/Na<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Promoted Trifluoromethylthiolation/Cyclization of o-Propargyl Arylazides/ o-Alkynyl Benzylazides: Synthesis of SCF<sub>3</sub>-Substituted Quinolines and Isoquinolines.","The Journal of organic chemistry","2019","84","7","4165","4178","10.1021/acs.joc.9b00181","","","0.71073","MoKα","","0.0657","0.0478","","","0.0979","0.1079","","","","","","1.083","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034223","8.4313","0.0003","16.317","0.0007","17.1584","0.0008","90","","101.057","0.002","90","","2316.72","0.17","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N2 O6 Rh S -","- C20 H29 N2 O6 Rh S -","- C80 H116 N8 O24 Rh4 S4 -","4","1","","Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.","The Journal of organic chemistry","2019","84","7","4058","4071","10.1021/acs.joc.9b00051","","","0.71073","MoKα","","0.078","0.0359","","","0.0706","0.0942","","","","","","1.1367","","","","has coordinates","222766","2020-10-21","18:00:00",""
"4034224","17.3441","0.0007","5.5569","0.0003","18.2798","0.0008","90","","107.527","0.0018","90","","1680.01","0.14","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.","The Journal of organic chemistry","2019","84","7","4058","4071","10.1021/acs.joc.9b00051","","","0.71073","MoKα","","0.0676","0.0398","","","0.0876","0.1022","","","","","","1.057","","","","has coordinates","222767","2020-10-21","18:00:00",""
"4034225","13.033","0.0007","15.1328","0.0008","7.9409","0.0003","90","","98.674","0.002","90","","1548.24","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N O3 -","- C16 H20 Br N O3 -","- C64 H80 Br4 N4 O12 -","4","1","","Sivasakthikumaran, Ramakrishnan; Jambu, Subramanian; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Distal Weak O-Coordinating C-H Alkylation of Arylacetamides with Alkenes: Combined Experimental and DFT Studies.","The Journal of organic chemistry","2019","84","7","3977","3989","10.1021/acs.joc.8b03257","","","0.71073","MoKα","","0.0676","0.0385","","","0.0981","0.1109","","","","","","0.982","","","","has coordinates","222768","2020-10-21","18:00:00",""
"4034226","8.5651","0.0003","9.8558","0.0003","14.1385","0.0005","90","","90","","90","","1193.51","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br4 -","- C9 H12 Br4 -","- C36 H48 Br16 -","4","1","","Gunther, Michael J.; Pavlović, Radoslav Z; Fernandez, Joseph P.; Zhiquan, Lei; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Stereo- and Regioselective Synthesis of Molecular Baskets.","The Journal of organic chemistry","2019","84","7","4392","4401","10.1021/acs.joc.9b00330","","x-ray","0.71073","MoKα","","0.0177","0.0172","","","0.0418","0.042","","","","","","1.178","","","","has coordinates","222769","2020-10-21","18:00:00",""
"4034227","10.0566","0.0005","12.3887","0.0006","16.2726","0.0007","73.9131","0.0016","78.5757","0.0016","69.5826","0.0016","1813.99","0.15","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H47 B N4 -","- C45 H47 B N4 -","- C90 H94 B2 N8 -","2","1","","Baek, Yonghyeon; Kwon, Youngjae; Maeng, Chanyoung; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Lee, Phil Ho","Pyrazinoindole-Based Lewis-Acid/Base Assembly: Intriguing Intramolecular Charge-Transfer Switching through the Dual-Sensing of Fluoride and Acid.","The Journal of organic chemistry","2019","84","7","3843","3852","10.1021/acs.joc.8b02942","","","0.71073","MoKα","","0.1441","0.0655","","","0.1136","0.1374","","","","","","1.033","","","","has coordinates","222770","2020-10-21","18:00:00",""
"4034228","12.667","0.0017","10.8935","0.0012","27.315","0.003","90","","98.727","0.005","90","","3725.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 B N4 -","- C45 H47 B N4 -","- C180 H188 B4 N16 -","4","1","","Baek, Yonghyeon; Kwon, Youngjae; Maeng, Chanyoung; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Lee, Phil Ho","Pyrazinoindole-Based Lewis-Acid/Base Assembly: Intriguing Intramolecular Charge-Transfer Switching through the Dual-Sensing of Fluoride and Acid.","The Journal of organic chemistry","2019","84","7","3843","3852","10.1021/acs.joc.8b02942","","","0.71073","MoKα","","0.1405","0.0641","","","0.1114","0.1359","","","","","","1.016","","","","has coordinates","222771","2020-10-21","18:00:00",""
"4034229","6.9454","0.0001","19.9965","0.0004","10.6578","0.0001","90","","90","","90","","1480.19","0.04","93","","93","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C34 H33.5 F3 N2 O3.25 S -","- C34 H33.5 F3 N2 O3.25 S -","- C68 H67 F6 N4 O6.5 S2 -","2","0.5","","Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi","Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.","The Journal of organic chemistry","2019","84","7","4372","4380","10.1021/acs.joc.9b00378","","x-ray","1.54184","CuKα","","0.0347","0.0338","","","0.0965","0.0976","","","","","","1.059","","","","has coordinates,has disorder","222772","2020-10-21","18:00:00",""
"4034230","8.5044","0.0002","9.2497","0.0003","21.4736","0.001","87.846","0.003","80.072","0.003","70.549","0.003","1568.56","0.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 F15 N2 O3 S -","- C34 H21 F15 N2 O3 S -","- C68 H42 F30 N4 O6 S2 -","2","1","","Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi","Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.","The Journal of organic chemistry","2019","84","7","4372","4380","10.1021/acs.joc.9b00378","","x-ray","1.54184","CuKα","","0.079","0.0616","","","0.1795","0.1914","","","","","","1.095","","","","has coordinates","222773","2020-10-21","18:00:00",""
"4034231","7.6807","0.0002","10.5907","0.0003","16.1738","0.0004","90","","101.009","0.003","90","","1291.43","0.06","278","10","278","10","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","1","","Zheng, Zai-Qin; Wei, Wen-Jun; Zhang, Junmin; Li, Hang-Ying; Xu, Kai; Xu, Jiayuan; Tang, Bencan; Li, Ya; Gao, Kun","Heliaquanoids A-E, Five Sesquiterpenoid Dimers from Inula helianthus-aquatica.","The Journal of organic chemistry","2019","84","7","4473","4477","10.1021/acs.joc.8b03284","","","1.54184","CuKα","","0.0495","0.0459","","","0.1185","0.1234","","","","","","1.043","","","","has coordinates","222774","2020-10-21","18:00:00",""
"4034232","7.6236","0.0014","11.458","0.002","14.056","0.003","108.113","0.002","90.803","0.002","96.502","0.002","1157.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 F O2 -","- C31 H21 F O2 -","- C62 H42 F2 O4 -","2","1","","Yan, Bingyu; Fu, Yang; Zhu, Hui; Chen, Zhiyuan","Synthesis of Divergent Benzo[ b]fluorenones through Cycloaromatization Reactions of 1,5-Enynols and 1,5-Diynols.","The Journal of organic chemistry","2019","84","7","4246","4262","10.1021/acs.joc.9b00231","","","0.71073","MoKα","","0.0847","0.0494","","","0.1395","0.168","","","","","","1.067","","","","has coordinates","222775","2020-10-21","18:00:00",""
"4034233","9.695","0.004","10.725","0.005","12.043","0.005","67.555","0.004","69.092","0.004","69.054","0.004","1045.1","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O -","- C30 H20 O -","- C60 H40 O2 -","2","1","","Yan, Bingyu; Fu, Yang; Zhu, Hui; Chen, Zhiyuan","Synthesis of Divergent Benzo[ b]fluorenones through Cycloaromatization Reactions of 1,5-Enynols and 1,5-Diynols.","The Journal of organic chemistry","2019","84","7","4246","4262","10.1021/acs.joc.9b00231","","","0.71073","MoKα","","0.0577","0.0465","","","0.1337","0.145","","","","","","1.057","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4034234","13.0743","0.0014","13.6975","0.0015","17.525","0.002","88.312","0.006","76.177","0.005","86.509","0.005","3041.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Cl F12 N9 P2 -","- C59 H60 Cl F12 N9 P2 -","- C118 H120 Cl2 F24 N18 P4 -","2","1","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.0602","0.0436","","","0.1139","0.1253","","","","","","1.022","","","","has coordinates","222777","2020-10-21","18:00:00",""
"4034235","14.3935","0.0008","14.3935","0.0008","17.2887","0.001","90","","90","","120","","3101.9","0.3","90","2","90","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3218","0.2754","","","0.7053","0.7483","","","","","","1.218","","","","has coordinates","222778","2020-10-21","18:00:00",""
"4034236","14.654","0.0013","14.654","0.0013","17.5993","0.0016","90","","90","","120","","3272.9","0.5","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3357","0.2496","","","0.6483","0.7363","","","","","","1.134","","","","has coordinates","222779","2020-10-21","18:00:00",""
"4034237","9.1411","0.0003","10.3952","0.0003","13.8711","0.0005","90","","100.611","0.001","90","","1295.54","0.07","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O S -","- C15 H10 F3 N O S -","- C60 H40 F12 N4 O4 S4 -","4","1","","Barthelemy, Anne-Laure; Anselmi, Elsa; Le, Thanh-Nghi; Vo-Thanh, Giang; Guillot, Régis; Miqueu, Karinne; Magnier, Emmanuel","Divergent Synthesis of 1,2-Benzo[ e]thiazine and Benzo[ d]thiazole Analogues Containing a S-Trifluoromethyl Sulfoximine Group: Preparation and New Properties of the Adachi Reagent.","The Journal of organic chemistry","2019","84","7","4086","4094","10.1021/acs.joc.9b00079","","x-ray","0.71073","MoKα","","0.0415","0.0326","","","0.0916","0.0992","","","","","","1.032","","","","has coordinates","222780","2020-10-21","18:00:00",""
"4034238","9.0768","0.0004","10.4534","0.0005","13.9478","0.0006","90","","100.41","0.002","90","","1301.63","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O S -","- C15 H10 F3 N O S -","- C60 H40 F12 N4 O4 S4 -","4","1","","Barthelemy, Anne-Laure; Anselmi, Elsa; Le, Thanh-Nghi; Vo-Thanh, Giang; Guillot, Régis; Miqueu, Karinne; Magnier, Emmanuel","Divergent Synthesis of 1,2-Benzo[ e]thiazine and Benzo[ d]thiazole Analogues Containing a S-Trifluoromethyl Sulfoximine Group: Preparation and New Properties of the Adachi Reagent.","The Journal of organic chemistry","2019","84","7","4086","4094","10.1021/acs.joc.9b00079","","x-ray","0.71073","MoKα","","0.0462","0.0366","","","0.093","0.0982","","","","","","1.038","","","","has coordinates","222781","2020-10-21","18:00:00",""
"4034239","20.2062","0.0003","13.294","0.0002","10.06784","0.0002","90","","90","","90","","2704.44","0.08","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H23 Cl N2 O6 S -","- C30 H23 Cl N2 O6 S -","- C120 H92 Cl4 N8 O24 S4 -","4","1","","Zhou, Xiao-Jian; Zhao, Jian-Qiang; Chen, Xin-Meng; Zhuo, Jun-Rui; Zhang, Yan-Ping; Chen, Yong-Zheng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalyzed Asymmetric Dearomative Aza-Michael/Michael Addition Cascade of 2-Nitrobenzofurans and 2-Nitrobenzothiophenes with 2-Aminochalcones.","The Journal of organic chemistry","2019","84","7","4381","4391","10.1021/acs.joc.9b00401","","x-ray","1.54184","CuKα","","0.0467","0.0407","","","0.1091","0.1152","","","","","","1.043","","","","has coordinates","222782","2020-10-21","18:00:00",""
"4034240","10.1216","0.0009","10.5451","0.001","14.942","0.0014","79.326","0.004","83.739","0.004","70.701","0.004","1477.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 N O2 S -","- C35 H33 N O2 S -","- C70 H66 N2 O4 S2 -","2","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.1308","0.0672","","","0.1756","0.2248","","","","","","1.008","","","","has coordinates","222783","2020-10-21","18:00:00",""
"4034241","11.7619","0.001","22.0327","0.0018","7.9732","0.0007","90","","104.881","0.003","90","","1996.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N O2 S -","- C21 H22 Cl N O2 S -","- C84 H88 Cl4 N4 O8 S4 -","4","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.0802","0.0535","","","0.1259","0.1399","","","","","","1.064","","","","has coordinates,has disorder","222784","2020-10-21","18:00:00",""
"4034242","14.2861","0.0006","13.9462","0.0004","13.3948","0.0005","90","","104.381","0.0015","90","","2585.12","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O2 S -","- C32 H27 N O2 S -","- C128 H108 N4 O8 S4 -","4","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.0788","0.0428","","","0.0905","0.1096","","","","","","1.01","","","","has coordinates","222785","2020-10-21","18:00:00",""
"4034243","6.6499","0.0014","7.472","0.002","43.076","0.01","93.23","0.04","91.35","0.03","116.106","0.017","1916.2","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","2","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0975","0.0963","","","0.2566","0.2574","","","","","","1.108","","","","has coordinates","222786","2020-10-21","18:00:00",""
"4034244","6.5581","0.0001","7.3707","0.0001","39.7747","0.0009","90","","91.298","0.002","90","","1922.13","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","1","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0595","0.0574","","","0.1334","0.1346","","","","","","1.08","","","","has coordinates","222787","2020-10-21","18:00:00",""
"4034245","10.7376","0.0009","12.1732","0.0012","15.8235","0.0017","71.982","0.009","88.589","0.008","64.831","0.009","1766.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 F N2 O2 S -","- C35 H27 F N2 O2 S -","- C70 H54 F2 N4 O4 S2 -","2","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","","0.71073","MoKα","","0.0828","0.06","","","0.1245","0.1375","","","","","","1.033","","","","has coordinates","222788","2020-10-21","18:00:00",""
"4034246","8.586","0.0002","12.0693","0.0004","15.3164","0.0005","100.733","0.003","101.129","0.002","108.783","0.003","1420.73","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 N3 O2 S -","- C36 H29 N3 O2 S -","- C72 H58 N6 O4 S2 -","2","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","","0.71073","MoKα","","0.0485","0.0398","","","0.0926","0.0973","","","","","","1.028","","","","has coordinates","222789","2020-10-21","18:00:00",""
"4034247","17.6547","0.0003","17.6547","0.0003","42.2964","0.0007","90","","90","","120","","11417.1","0.3","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H27 F3 N2 O2 S -","- C36 H27 F3 N2 O2 S -","- C432 H324 F36 N24 O24 S12 -","12","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","x-ray","0.71073","MoKα","","0.0407","0.0345","","","0.0834","0.0866","","","","","","1.03","","","","has coordinates","222790","2020-10-21","18:00:00",""
"4034248","8.10978","0.00005","9.41535","0.00005","24.11706","0.00015","90","","90","","90","","1841.49","0.019","123","2","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 B F4 I N3 -","- C17 H17 B F4 I N3 -","- C68 H68 B4 F16 I4 N12 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0237","0.0236","","","0.0611","0.0612","","","","","","1.051","","","","has coordinates,has disorder","222791","2020-10-21","18:00:00",""
"4034249","6.54","0.0001","19.8361","0.0004","15.2529","0.0003","90","","93.965","0.002","90","","1973.99","0.06","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H16 B F4 I N4 O2 -","- C17 H16 B F4 I N4 O2 -","- C68 H64 B4 F16 I4 N16 O8 -","4","2","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0496","0.0473","","","0.1265","0.1305","","","","","","1.052","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4034250","7.5236","0.0001","14.6973","0.0003","19.9237","0.0003","90","","90","","90","","2203.1","0.06","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 I N4 O5 S -","- C18 H16 F3 I N4 O5 S -","- C72 H64 F12 I4 N16 O20 S4 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0474","0.0448","","","0.1146","0.1172","","","","","","1.038","","","","has coordinates","222793","2020-10-21","18:00:00",""
"4034251","10.2947","0.0002","6.9593","0.0001","11.0589","0.0002","90","","115.163","0.002","90","","717.11","0.02","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N3 -","- C16 H14 Br N3 -","- C32 H28 Br2 N6 -","2","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0377","0.0368","","","0.0931","0.0935","","","","","","1.041","","","","has coordinates","222794","2020-10-21","18:00:00",""
"4034252","9.417","0.004","16.255","0.007","12.488","0.005","90","","105.578","0.007","90","","1841.4","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O4 -","- C25 H16 O4 -","- C100 H64 O16 -","4","1","","Qiao, Liang; Duan, Zhongwei; Chen, Yinghan; Luan, Yepeng; Gu, Qianqun; Liu, Yan-Kai; Li, Dehai","Aspergiolides A and B: Core Structural Establishment and Synthesis of Structural Analogues.","The Journal of organic chemistry","2019","84","7","4451","4457","10.1021/acs.joc.8b03185","","","0.71073","MoKα","","0.0877","0.0435","","","0.0951","0.1128","","","","","","1.069","","","","has coordinates","222795","2020-10-21","18:00:00",""
"4034253","11.242","0.003","40.833","0.008","11.278","0.002","90","","111.848","0.006","90","","4805.3","1.8","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110.82 H123.23 N8.41 O8 -","- C110.822 H123.233 N8.411 O8 -","- C221.644 H246.466 N16.822 O16 -","2","1","","Wellhöfer, Isabelle; Frydenvang, Karla; Kotesova, Simona; Christiansen, Andreas M.; Laursen, Jonas S.; Olsen, Christian A.","Functionalized Helical β-Peptoids.","The Journal of organic chemistry","2019","84","7","3762","3779","10.1021/acs.joc.9b00218","","","0.71073","MoKα","","0.0976","0.061","","","0.1294","0.146","","","","","","1.02","","","","has coordinates,has disorder","222796","2020-10-21","18:00:00",""
"4034254","9.4387","0.001","10.7305","0.0012","10.9753","0.0012","80.125","0.002","73.234","0.002","68.058","0.002","984.7","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 I N2 S2 -","- C20 H19 I N2 S2 -","- C40 H38 I2 N4 S4 -","2","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.0345","0.0283","","","0.0745","0.0779","","","","","","1.031","","","","has coordinates","222797","2020-10-21","18:00:00",""
"4034255","9.8694","0.0014","10.3956","0.0015","11.1604","0.0015","64.256","0.002","80.181","0.002","63.66","0.002","924","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Br I N2 O S -","- C19 H18 Br I N2 O S -","- C38 H36 Br2 I2 N4 O2 S2 -","2","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1198","0.0878","","","0.2577","0.2953","","","","","","1.02","","","","has coordinates","222798","2020-10-21","18:00:00",""
"4034256","11.0629","0.0016","16.601","0.003","19.901","0.003","90","","90","","90","","3654.9","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cl I N2 S -","- C19 H16 Cl I N2 S -","- C152 H128 Cl8 I8 N16 S8 -","8","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1366","0.0568","","","0.1018","0.1247","","","","","","1.02","","","","has coordinates","222799","2020-10-21","18:00:00",""
"4034257","7.7369","0.0007","18.281","0.002","10.785","0.0011","90","","106.322","0.011","90","","1463.9","0.3","175","","175","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Liu, Yujia; Bergès, Julien; Zaid, Yassir; Chahdi, Fouad Ouazzani; Van Der Lee, Arie; Harakat, Dominique; Clot, Eric; Jaroschik, Florian; Taillefer, Marc","Aerobic and Ligand-Free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in Situ Formation of Aryllithiums.","The Journal of organic chemistry","2019","84","7","4413","4420","10.1021/acs.joc.8b02834","","","0.71073","MoKα","","0.1969","0.1258","","0.1285","0.1028","0.1028","","","","","","1.117","","","","has coordinates","222800","2020-10-21","18:00:00",""
"4034258","8.0793","0.0001","8.1611","0.0001","20.7538","0.0003","90","","90","","90","","1368.42","0.03","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0312","0.0311","","","0.0946","0.0948","","","","","","1.102","","","","has coordinates","222801","2020-10-21","18:00:00",""
"4034259","7.4815","0.0002","12.4851","0.0002","24.3339","0.0005","90","","90","","90","","2272.96","0.08","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C108 H100 N4 O20 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0323","0.0306","","","0.0822","0.084","","","","","","1.059","","","","has coordinates,has disorder","222802","2020-10-21","18:00:00",""
"4034260","13.8863","0.0003","7.2827","0.0002","24.0141","0.0005","90","","101.573","0.0007","90","","2379.17","0.1","120","","120","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Slavík, Petr; Krupička, Martin; Eigner, Václav; Vrzal, Lukáš; Dvořáková, Hana; Lhoták, Pavel","Rearrangement of meta-Bridged Calix[4]arenes Promoted by Internal Strain.","The Journal of organic chemistry","2019","84","7","4229","4235","10.1021/acs.joc.9b00107","","","1.54178","CuKα","","0.0354","0.0329","","0.0887","0.0881","0.0887","","","","","","0.951","","","","has coordinates","222803","2020-10-21","18:00:00",""
"4034261","8.6488","0.0003","9.3013","0.0004","11.1317","0.0004","91.99","0.003","93.798","0.003","99.922","0.004","879.19","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C46 H34 N2 O6 -","2","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0621","0.0441","","","0.1109","0.1189","","","","","","1.047","","","","has coordinates","222804","2020-10-21","18:00:00",""
"4034262","9.3771","0.0001","18.5002","0.0002","10.2968","0.0001","90","","114.704","0.001","90","","1622.79","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0827","0.0831","","","","","","1.039","","","","has coordinates","222805","2020-10-21","18:00:00",""
"4034263","9.0927","0.0002","18.9606","0.0007","10.0748","0.0002","90","","93.784","0.002","90","","1733.14","0.08","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0611","0.0538","","","0.1317","0.1362","","","","","","1.112","","","","has coordinates","222806","2020-10-21","18:00:00",""
"4034264","9.5875","0.0001","9.8275","0.0001","16.1247","0.0001","90","","90.184","0.001","90","","1519.28","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0336","0.033","","","0.082","0.0825","","","","","","1.059","","","","has coordinates","222807","2020-10-21","18:00:00",""
"4034265","13.9068","0.0002","10.3152","0.0001","26.2389","0.0004","90","","98.581","0.001","90","","3721.87","0.09","113.6","0.3","113.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F N O3 -","- C24 H18 F N O3 -","- C192 H144 F8 N8 O24 -","8","2","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0646","0.0575","","","0.1554","0.1667","","","","","","1.085","","","","has coordinates","222808","2020-10-21","18:00:00",""
"4034266","15.026","0.0003","9.941","0.0002","12.0298","0.0003","90","","99.127","0.0008","90","","1774.18","0.07","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N5 O5 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","1","","Ansari, Arshad J.; Joshi, Gaurav; Sharma, Praveen; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Chandaluri, Chanchayya Gupta; Kumar, Raj; Singh, Sandeep; Sawant, Devesh M.","Pd-Catalyzed Four-Component Sequential Reaction Delivers a Modular Fluorophore Platform for Cell Imaging.","The Journal of organic chemistry","2019","84","7","3817","3825","10.1021/acs.joc.8b02845","","","0.71073","MoKα","","0.0592","0.0452","","","0.1303","0.1443","","","","","","1.075","","","","has coordinates","222809","2020-10-21","18:00:00",""
"4034267","8.05511","0.00005","11.64625","0.00008","18.10204","0.0001","90","","90","","90","","1698.19","0.018","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B N P -","- C17 H25 B N P -","- C68 H100 B4 N4 P4 -","4","1","","Lemouzy, Sébastien; Membrat, Romain; Olivieri, Enzo; Jean, Marion; Albalat, Muriel; Nuel, Didier; Giordano, Laurent; Hérault, Damien; Buono, Gérard","Umpolung Reactivity of in Situ Generated Phosphido-Boranes: An Entry to P-Stereogenic Aminophosphine-Boranes.","The Journal of organic chemistry","2019","84","7","4551","4557","10.1021/acs.joc.9b00333","","x-ray","1.54184","CuKα","","0.0352","0.0349","","","0.0916","0.0919","","","","","","1.102","","","","has coordinates","222810","2020-10-21","18:00:00",""
"4034268","6.0404","0.001","18.307","0.003","20.483","0.003","90","","96.951","0.004","90","","2248.4","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C104 H96 Cl4 N4 O12 S4 -","4","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0988","0.0523","","","0.1226","0.1453","","","","","","0.994","","","","has coordinates","222811","2020-10-21","18:00:00",""
"4034269","8.2873","0.0003","11.2154","0.0006","13.2137","0.0006","104.22","0.002","107.154","0.002","107.165","0.002","1044.15","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl N O3 S -","- C23 H24 Cl N O3 S -","- C46 H48 Cl2 N2 O6 S2 -","2","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0876","0.0572","","","0.1165","0.1364","","","","","","1.032","","","","has coordinates","222812","2020-10-21","18:00:00",""
"4034270","9.816","0.004","17.033","0.007","14.307","0.006","90","","98.619","0.009","90","","2365.1","1.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O3 S -","- C27 H26 Cl N O3 S -","- C108 H104 Cl4 N4 O12 S4 -","4","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.074","0.0488","","","0.1308","0.1469","","","","","","1.018","","","","has coordinates","222813","2020-10-21","18:00:00",""
"4034271","8.2865","0.0019","10.144","0.003","15.586","0.004","77.546","0.006","84.113","0.006","77.165","0.006","1245.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C52 H48 Cl2 N2 O6 S2 -","2","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0953","0.0556","","","0.134","0.1567","","","","","","0.982","","","","has coordinates","222814","2020-10-21","18:00:00",""
"4034272","31.17","0.006","4.9304","0.0009","23.09","0.004","90","","122.388","0.006","90","","2996.5","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C112 H152 N24 O32 -","8","1","","Peixoto, Daniela; Malta, Gabriela; Cruz, Hugo; Barroso, Sónia; Carvalho, Ana Luísa; Ferreira, Luísa M; Branco, Paula S.","N-Heterocyclic Olefin Catalysis for the Ring Opening of Cyclic Amidine Compounds: A Pathway to the Synthesis of ε-Caprolactam- and γ-Lactam-Derived Amines.","The Journal of organic chemistry","2019","84","7","3793","3800","10.1021/acs.joc.8b02823","","x-ray","0.71073","MoKα","","0.1674","0.0624","","","0.1181","0.1401","","","","","","0.962","","","","has coordinates","222815","2020-10-21","18:00:00",""
"4034273","9.3502","0.0006","9.7552","0.0005","18.8817","0.0013","91.916","0.005","92.417","0.005","104.915","0.005","1661","0.18","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl F O2 S -","- C20 H14 Cl F O2 S -","- C80 H56 Cl4 F4 O8 S4 -","4","2","","Alkan-Zambada, Murat; Hu, Xile","Cu-Catalyzed Photoredox Chlorosulfonation of Alkenes and Alkynes.","The Journal of organic chemistry","2019","84","7","4525","4533","10.1021/acs.joc.9b00238","","x-ray","1.54184","CuKα","","0.065","0.045","","","0.118","0.1296","","","","","","1.022","","","","has coordinates","222816","2020-10-21","18:00:00",""
"4034274","19.6438","0.0014","20.3232","0.0015","26.513","0.002","90","","103.435","0.002","90","","10295","1.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C302 H476 F96 N128 O103 P16 -","- C302 H476 F96 N128 O103 P16 -","- C302 H476 F96 N128 O103 P16 -","1","0.25","","Chandrakumar, Pradeep Kumar; Dhiman, Rajni; Woodward, Clifford E.; Iranmanesh, Hasti; Beves, Jonathon E.; Day, Anthony I.","Tiara[ n]uril: A Glycoluril-Based Macrocyclic Host with Cationic Walls.","The Journal of organic chemistry","2019","84","7","3826","3831","10.1021/acs.joc.8b02913","","","0.71073","MoKα","","0.1246","0.0784","","","0.1911","0.2239","","","","","","1.031","","","","has coordinates","222817","2020-10-21","18:00:00",""
"4034275","10.7001","0.0002","7.5125","0.0001","12.3736","0.0002","90","","93.544","0.001","90","","992.74","0.03","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C40 H40 N4 O14 S2 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.04","0.0368","","","0.0876","0.089","","","","","","1.09","","","","has coordinates","222818","2020-10-21","18:00:00",""
"4034276","5.6069","0.0002","8.4799","0.0003","32.8891","0.0012","90","","90","","90","","1563.74","0.1","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N O3 -","- C15 H19 Cl N O3 -","- C60 H76 Cl4 N4 O12 -","4","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.068","0.0534","","","0.1227","0.1297","","","","","","1.057","","","","has coordinates","222819","2020-10-21","18:00:00",""
"4034277","5.8397","0.0004","11.6308","0.0007","14.2713","0.0008","90","","94.727","0.004","90","","966.02","0.1","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N4 O5 -","- C18 H26 N4 O5 -","- C36 H52 N8 O10 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.0974","0.0678","","","0.1549","0.1699","","","","","","1.033","","","","has coordinates","222820","2020-10-21","18:00:00",""
"4034278","11.7922","0.0002","14.2337","0.0003","21.0488","0.0004","90","","102.785","0.001","90","","3445.38","0.11","270","2","270","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","4","","Meng, Fan-Jie; Shi, Lei; Feng, Guang-Shou; Sun, Lei; Zhou, Yong-Gui","Enantioselective Synthesis of 3,4-Dihydropyrimidin-2(1 H)-ones through Organocatalytic Transfer Hydrogenation of 2-Hydroxypyrimidines.","The Journal of organic chemistry","2019","84","7","4435","4442","10.1021/acs.joc.8b03128","","","1.54178","CuKα","","0.0631","0.0449","","","0.0992","0.1114","","","","","","1.041","","","","has coordinates","222821","2020-10-21","18:00:00",""
"4034279","15.8855","0.0016","10.6751","0.0013","16.2034","0.0017","90","","102.86","0.01","90","","2678.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","","0.71073","MoKα","","0.0452","0.0395","","","0.1112","0.1161","","","","","","1.037","","","","has coordinates","222822","2020-10-21","18:00:00",""
"4034280","12.5854","0.001","8.978","0.0007","12.7456","0.001","90","","97.805","0.002","90","","1426.81","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","","0.71073","MoKα","","0.0962","0.0601","","","0.1341","0.1514","","","","","","1.032","","","","has coordinates","222823","2020-10-21","18:00:00",""
"4034281","7.9727","0.0004","14.6193","0.0007","24.5046","0.0011","90","","97.712","0.001","90","","2830.3","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","x-ray","0.71073","MoKα","","0.0766","0.048","","","0.091","0.1008","","","","","","1.032","","","","has coordinates","222824","2020-10-21","18:00:00",""
"4034282","10.5687","0.0017","13.919","0.002","18.485","0.003","105.636","0.002","104.25","0.002","96.415","0.002","2491.4","0.7","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N O7 -","- C29 H31 N O7 -","- C116 H124 N4 O28 -","4","2","","Vivekanand, Thavaraj; Vachan, B. S.; Karuppasamy, Muthu; Muthukrishnan, Isravel; Maheswari, C. Uma; Nagarajan, Subbiah; Bhuvanesh, Nattamai; Sridharan, Vellaisamy","Diastereoselective ABB' Three-Component Synthesis of Highly Functionalized Spirooxindoles Bearing Five Consecutive Asymmetric Carbons.","The Journal of organic chemistry","2019","84","7","4009","4016","10.1021/acs.joc.8b03270","","","0.71073","MoKα","","0.0579","0.0422","","","0.1029","0.1114","","","","","","1.054","","","","has coordinates,has disorder","222825","2020-10-21","18:00:00",""
"4034283","23.4225","0.0008","14.2185","0.0005","28.8398","0.001","90","","113.424","0.0017","90","","8813.1","0.5","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N2 O6 S3 -","- C44.67 H38 N2 O4.5 S3 -","- C357.36 H304 N16 O36 S24 -","8","2","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Aguilar, Juan A.; Hall, David; Batsanov, Andrei S.; Ren, Zhongjie; Dias, Fernando B.; Bryce, Martin R.","Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor-Acceptor Systems.","The Journal of organic chemistry","2019","84","7","3801","3816","10.1021/acs.joc.8b02848","","x-ray","1.54184","CuKα","","0.0924","0.0585","","","0.1429","0.1579","","","","","","1.023","","","","has coordinates,has disorder","222826","2020-10-21","18:00:00",""
"4034284","23.3637","0.0006","14.6487","0.0005","28.5013","0.0009","90","","112.449","0.0015","90","","9015.3","0.5","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Synthesis of 2,8-Bis(1,9-dimethyl-3-methoxyphenothiazin-10-yl)dibenzothiophene-S,S-dioxide","","- C51.6 H42 Cl1.6 N2 O4 S3 -","- C51.6 H41.9 Cl1.6 N2 O4 S3 -","- C412.8 H335.2 Cl12.8 N16 O32 S24 -","8","2","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Aguilar, Juan A.; Hall, David; Batsanov, Andrei S.; Ren, Zhongjie; Dias, Fernando B.; Bryce, Martin R.","Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor-Acceptor Systems.","The Journal of organic chemistry","2019","84","7","3801","3816","10.1021/acs.joc.8b02848","","x-ray","1.54184","CuKα","","0.1342","0.0725","","","0.1728","0.2042","","","","","","1.01","","","","has coordinates,has disorder","222827","2020-10-21","18:00:00",""
"4034285","19.4948","0.001","19.4948","0.001","35.68","0.004","90","","90","","90","","13560.1","1.8","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C54 H74 Cl6 F N5 O4 -","- C54 H74 Cl6 F N5 O4 -","- C432 H592 Cl48 F8 N40 O32 -","8","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","1.54184","CuKα","","0.0745","0.0686","","","0.1958","0.2066","","","","","","1.051","","","","has coordinates,has disorder","222828","2020-10-21","18:00:00",""
"4034286","13.56","0.003","17.972","0.004","23.795","0.005","90","","104.412","0.004","90","","5616","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Cl N5 O4 -","- C52 H72 Cl N5 O4 -","- C208 H288 Cl4 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.0569","0.0407","","","0.1029","0.1118","","","","","","1.025","","","","has coordinates,has disorder","222829","2020-10-21","18:00:00",""
"4034287","9.4746","0.0004","13.2356","0.0006","14.2481","0.0007","79.948","0.003","85.978","0.003","84.632","0.003","1748.96","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N4 O5 S -","- C38 H42 N4 O5 S -","- C76 H84 N8 O10 S2 -","2","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.073","0.0444","","","0.099","0.1121","","","","","","1.018","","","","has coordinates","222830","2020-10-21","18:00:00",""
"4034288","25.208","0.002","16.8924","0.0013","26.912","0.002","90","","90","","90","","11459.8","1.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114 H162 Cl6 N10 O13 -","- C114 H162 Cl6 N10 O13 -","- C456 H648 Cl24 N40 O52 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.0921","0.0783","","","0.2126","0.2297","","","","","","1.061","","","","has coordinates,has disorder","222831","2020-10-21","18:00:00",""
"4034289","9.75667","0.0001","13.67134","0.00011","14.32506","0.00012","90","","90","","90","","1910.77","0.03","299.18","0.1","299.18","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","","Angyal, Anikó; Demjén, András; Harmat, Veronika; Wölfling, János; Puskás, László G; Kanizsai, Iván","1,3-Dipolar Cycloaddition of Isatin-Derived Azomethine Ylides with 2 H-Azirines: Stereoselective Synthesis of 1,3-Diazaspiro[bicyclo[3.1.0]hexane]oxindoles.","The Journal of organic chemistry","2019","84","7","4273","4281","10.1021/acs.joc.9b00242","","","1.54184","CuKα","","0.0317","0.0311","","","0.082","0.0833","","","","","","1.062","","","","has coordinates","222832","2020-10-21","18:00:00",""
"4034290","10.65608","0.00008","16.5098","0.00014","10.94821","0.00009","90","","99.8206","0.0008","90","","1897.89","0.03","298.01","0.19","298.01","0.19","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O3.5 -","- C20 H25 N3 O3.5 -","- C80 H100 N12 O14 -","4","1","","Angyal, Anikó; Demjén, András; Harmat, Veronika; Wölfling, János; Puskás, László G; Kanizsai, Iván","1,3-Dipolar Cycloaddition of Isatin-Derived Azomethine Ylides with 2 H-Azirines: Stereoselective Synthesis of 1,3-Diazaspiro[bicyclo[3.1.0]hexane]oxindoles.","The Journal of organic chemistry","2019","84","7","4273","4281","10.1021/acs.joc.9b00242","","","1.54184","CuKα","","0.0462","0.044","","","0.1185","0.1205","","","","","","1.039","","","","has coordinates,has disorder","222833","2020-10-21","18:00:00",""
"4034291","21.8602","0.0002","17.8588","0.0002","39.6592","0.0004","90","","99.619","0.001","90","","15265.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84 H69 Au4 B F4 N O0.5 P4 -","- C84 H69 Au4 B F4 N O0.5 P4 -","- C672 H552 Au32 B8 F32 N8 O4 P32 -","8","1","","Sun, Tingting; Guo, Ping; Xie, Qiong; Zhao, Liang; Zhu, Jun","Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity in Hyperconjugative Aromaticity.","The Journal of organic chemistry","2019","84","7","3881","3886","10.1021/acs.joc.8b02996","","","1.54184","CuKα","","0.0546","0.0524","","","0.1395","0.1413","","","","","","1.124","","","","has coordinates","222834","2020-10-21","18:00:00",""
"4034292","10.9442","0.0001","12.5152","0.0001","18.8958","0.0002","90","","90","","90","","2588.14","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 B N O4 -","- C27 H38 B N O4 -","- C108 H152 B4 N4 O16 -","4","1","","Han, Suna; Shen, Xin; Kong, Duanyang; Zi, Guofu; Hou, Guohua; Zhang, Jiaxin","Cu-Catalyzed Asymmetric Hydroboration of Naphthylallylic Compounds for Enantioselective Synthesis of Chiral Boronates.","The Journal of organic chemistry","2019","84","7","4318","4329","10.1021/acs.joc.9b00289","","x-ray","1.54184","CuKα","","0.0333","0.0302","","","0.0732","0.0741","","","","","","1.134","","","","has coordinates","222835","2020-10-21","18:00:00",""
"4034293","8.3323","0.0018","10.241","0.002","13.709","0.003","106.973","0.005","99.53","0.005","100.043","0.005","1072.2","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl2 N2 O2 -","- C25 H18 Cl2 N2 O2 -","- C50 H36 Cl4 N4 O4 -","2","1","","Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong","Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.","The Journal of organic chemistry","2019","84","7","4467","4472","10.1021/acs.joc.8b03210","","","0.71073","MoKα","","0.1154","0.0674","","","0.1675","0.2112","","","","","","1.036","","","","has coordinates","222836","2020-10-21","18:00:00",""
"4034294","5.725","0.004","16.2","0.012","20.626","0.015","90","","90","","90","","1913","2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong","Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.","The Journal of organic chemistry","2019","84","7","4467","4472","10.1021/acs.joc.8b03210","","","0.71073","MoKα","","0.1717","0.0872","","","0.2134","0.2746","","","","","","1.013","","","","has coordinates","222837","2020-10-21","18:00:00",""
"4034295","6.084","0.0003","7.6921","0.0004","19.8288","0.001","88.317","0.002","81.705","0.002","85.227","0.002","914.93","0.08","298","2","297.96","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C44 H32 Cl2 N2 O2 S2 -","2","1","","Gao, Wen-Chao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Wei, Wen-Long; Yang, Peng","Synthesis of 4-Sulfenyl Isoxazoles through AlCl<sub>3</sub>-Mediated Electrophilic Cyclization and Sulfenylation of 2-Alkyn-1-one O-Methyloximes.","The Journal of organic chemistry","2019","84","7","4312","4317","10.1021/acs.joc.9b00256","","","0.71073","MoKα","","0.0421","0.0365","","","0.0935","0.099","","","","","","1.06","","","","has coordinates","222838","2020-10-21","18:00:00",""
"4034296","7.9089","0.0016","8.3573","0.0017","11.052","0.002","110.57","0.03","103.01","0.03","93.22","0.03","659","0.3","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 Br2 N2 -","- C16 H10 Br2 N2 -","- C32 H20 Br4 N4 -","2","1","","Han, Yi; Hu, Zhenzhu; Liu, Meifang; Li, Mengwei; Wang, Tingting; Chen, Yulan","Synthesis, Characterization, and Properties of Diazapyrenes via Bischler-Napieralski Reaction.","The Journal of organic chemistry","2019","84","7","3953","3959","10.1021/acs.joc.8b03096","","","0.71073","MoKα","","0.0443","0.0343","","","0.0777","0.0795","","","","","","0.934","","","","has coordinates","222839","2020-10-21","18:00:00",""
"4034297","19.6655","0.0019","38.468","0.004","12.8796","0.001","90","","90","","90","","9743.3","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","zyh_wzd3651","","","- C24 H35 N O4 -","- C24 H35 N O4 -","- C384 H560 N16 O64 -","16","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54178","CuKα","","0.0742","0.0619","","","0.1828","0.1987","","","","","","0.967","","","","has coordinates","222840","2020-10-21","18:00:00",""
"4034298","13.0916","0.0001","27.1113","0.0002","13.5323","0.0001","90","","108.107","0.001","90","","4565.17","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.25 H36 N O4.25 -","- C24.25 H36 N O4.25 -","- C194 H288 N8 O34 -","8","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54184","CuKα","","0.0559","0.0532","","","0.1408","0.1431","","","","","","1.032","","","","has coordinates,has disorder","222841","2020-10-21","18:00:00",""
"4034299","9.9408","0.0011","17.8727","0.0018","19.77","0.002","79.176","0.004","80.799","0.004","74.552","0.004","3302.9","0.6","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H44 Cl4 Se4 -","- C66 H44 Cl4 Se4 -","- C132 H88 Cl8 Se8 -","2","1","","Zhao, Hongyan; Ma, Ying-Chao; Cao, Lei; Huang, Shiqing; Zhang, Jian-Ping; Yan, Xiaoyu","Synthesis and Photophysical Properties of Chalcophenes-Embedded Cycloparaphenylenes.","The Journal of organic chemistry","2019","84","9","5230","5235","10.1021/acs.joc.9b00207","","","0.71073","MoKα","","0.1592","0.0863","","","0.2037","0.2348","","","","","","0.975","","","","has coordinates,has disorder","222842","2020-10-21","18:00:00",""
"4034300","7.8926","0.0011","11.6276","0.0016","13.1465","0.0018","80.62","0.002","84.361","0.002","76.77","0.002","1156.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 B F2 N2 O2 -","- C25 H27 B F2 N2 O2 -","- C50 H54 B2 F4 N4 O4 -","2","1","","Wang, Jun; Li, Yongxin; Gong, Qingbao; Wang, Hua; Hao, Erhong; Lo, Pui-Chi; Jiao, Lijuan","β-AlkenylBODIPY Dyes: Regioselective Synthesis via Oxidative C-H Olefination, Photophysical Properties, and Bioimaging Studies.","The Journal of organic chemistry","2019","84","9","5078","5090","10.1021/acs.joc.9b00020","","","0.71073","MoKα","","0.0505","0.0442","","","0.1487","0.1539","","","","","","1.829","","","","has coordinates","222844","2020-10-21","18:00:00",""
"4034301","7.3364","0.0007","10.965","0.002","11.768","0.001","98.74","0.01","102.07","0.01","105.12","0.01","872","0.2","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H14 Br N -","- C25 H14 Br N -","- C50 H28 Br2 N2 -","2","1","","Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne","Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity.","The Journal of organic chemistry","2019","84","9","5383","5393","10.1021/acs.joc.9b00389","","","0.71073","MoKα","","0.0563","0.0462","","","0.1257","0.1311","","","","","","1.211","","","","has coordinates","222845","2020-10-21","18:00:00",""
"4034302","26.407","0.001","16.6742","0.0008","7.0484","0.0004","90","","90","","90","","3103.5","0.3","140","2","140","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C25 H14 N -","- C25 H14 N -","- C200 H112 N8 -","8","1","","Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne","Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity.","The Journal of organic chemistry","2019","84","9","5383","5393","10.1021/acs.joc.9b00389","","","0.71073","MoKα","","0.1279","0.056","","","0.1074","0.1375","","","","","","0.987","","","","has coordinates","222846","2020-10-21","18:00:00",""
"4034303","8.584","0.0006","8.6172","0.0006","14.5365","0.0011","95.778","0.002","94.944","0.002","110.914","0.002","990.66","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Capretz Agy, André; Rodrigues, Jr, Manoel T; Zeoly, Lucas A.; Simoni, Deborah A.; Coelho, Fernando","Palladium-Mediated Oxidative Annulation of δ-Indolyl-α,β-Unsaturated Compounds toward the Synthesis of Cyclopenta[ b]indoles and Heterogeneous Hydrogenation To Access Fused Indolines.","The Journal of organic chemistry","2019","84","9","5564","5581","10.1021/acs.joc.9b00505","","","0.71073","MoKα","","0.0521","0.0405","","","0.102","0.1098","","","","","","1.024","","","","has coordinates","222847","2020-10-21","18:00:00",""
"4034304","7.6849","0.0006","26.3848","0.0012","37.699","0.002","90","","90","","90","","7644","0.8","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O S2 Si2 -","- C42 H50 O S2 Si2 -","- C336 H400 O8 S16 Si16 -","8","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1606","0.0909","","","0.1926","0.2299","","","","","","1.04","","","","has coordinates,has disorder","222848","2020-10-21","18:00:00",""
"4034305","8.5273","0.0003","17.779","0.0007","20.8815","0.0008","99.94","0.003","93.813","0.003","95.177","0.003","3094.6","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H90 S2 Si4 -","- C64 H90 S2 Si4 -","- C128 H180 S4 Si8 -","2","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1516","0.0746","","","0.1424","0.1738","","","","","","1.016","","","","has coordinates,has disorder","222849","2020-10-21","18:00:00",""
"4034306","10.6042","0.0003","12.9313","0.0004","16.115","0.0006","111.178","0.0019","90.073","0.003","95.912","0.002","2047.82","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C92 H92 O28 -","- C92 H92 O28 -","- C92 H92 O28 -","1","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1268","0.0823","","","0.237","0.3006","","","","","","1.053","","","","has coordinates,has disorder","222850","2020-10-21","18:00:00",""
"4034307","9.8426","0.0004","20.6842","0.0007","24.5207","0.0009","113.198","0.002","97.551","0.002","90.007","0.002","4541.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H95 N3 O34 -","- C98 H95 N3 O34 -","- C196 H190 N6 O68 -","2","1","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1152","0.0847","","","0.2389","0.269","","","","","","1.039","","","","has coordinates,has disorder","222851","2020-10-21","18:00:00",""
"4034308","10.7288","0.0019","13.24","0.002","16.153","0.003","69.581","0.002","85.99","0.002","83.114","0.002","2133.9","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H82 Cl18 O12 -","- C82 H82 Cl18 O12 -","- C82 H82 Cl18 O12 -","1","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","0.71073","MoKα","","0.1037","0.0943","","","0.2877","0.296","","","","","","1.059","","","","has coordinates","222852","2020-10-21","18:00:00",""
"4034309","20.2602","0.0009","18.4745","0.001","9.7083","0.0005","90","","103.791","0.004","90","","3529","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H76 O16 -","- C74 H76 O16 -","- C148 H152 O32 -","2","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1173","0.0708","","","0.1835","0.2139","","","","","","1.021","","","","has coordinates,has disorder","222853","2020-10-21","18:00:00",""
"4034310","7.35354","0.00015","5.87211","0.00011","11.1184","0.0002","90","","95.496","0.007","90","","477.894","0.017","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","","Takashima, Katsuki; Hayakawa, Daichi; Gouda, Hiroaki; Toyooka, Naoki","Formal Syntheses of (-)-Lepadiformines A, C, and (-)-Fasicularin.","The Journal of organic chemistry","2019","84","9","5222","5229","10.1021/acs.joc.9b00071","","","1.54187","CuKα","","0.0386","0.0346","","","0.0815","0.0837","","","","","","1.087","","","","has coordinates","222854","2020-10-21","18:00:00",""
"4034311","6.8288","0.0005","10.6374","0.0008","29.546","0.0015","90","","90","","90","","2146.2","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Reddy, Reddy Rajasekhar; Panda, Shibaram; Ghorai, Prasanta","Enantioselective Synthesis of Cyclohexadienone Containing Spiroketals via DyKat Ketalization/oxa-Michael Addition Cascade.","The Journal of organic chemistry","2019","84","9","5357","5368","10.1021/acs.joc.9b00371","","","0.71073","MoKα","","0.1057","0.055","","","0.1061","0.1218","","","","","","1.028","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034312","23.661","0.0005","23.7462","0.0005","25.8874","0.0006","90","","109.922","0.002","90","","13674.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C576 H640 N64 O64 -","32","8","","Mi, Xia; Feng, Weisheng; Pi, Chao; Cui, Xiuling","Iridium(III)-Catalyzed C-H Amidation of Nitrones with Dioxazolones.","The Journal of organic chemistry","2019","84","9","5305","5312","10.1021/acs.joc.9b00300","","x-ray","1.54184","CuKα","","0.0844","0.0533","","","0.1411","0.1719","","","","","","1.026","","","","has coordinates","222856","2020-10-21","18:00:00",""
"4034313","7.059","0.003","15.876","0.006","9.721","0.004","90","","92.72","0.03","90","","1088.2","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C50 H56 N12 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","1.5418","CuKα","","0.073","0.0614","","","0.1561","0.1623","","","","","","1","","","","has coordinates","222857","2020-10-21","18:00:00",""
"4034314","14.606","0.004","5.425","0.002","15.6","0.004","90","","91.35","0.03","90","","1235.8","0.7","100","2","100","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C51 H58 Cl2 N12 -","- C51 H58 Cl2 N12 -","- C51 H58 Cl2 N12 -","1","0.5","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","1.5418","CuKα","","0.1145","0.0746","","","0.1741","0.1934","","","","","","1.002","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034315","22.199","0.006","22.199","0.006","18.664","0.006","90","","90","","120","","7965","4","200","2","200","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C75 H90 Cd6 Cl12 N18 O9 -","- C75 H84 Cd6 Cl12 N18 O9 -","- C225 H252 Cd18 Cl36 N54 O27 -","3","0.166667","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1119","0.0696","","","0.1898","0.2132","","","","","","1.055","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034316","9.394","0.003","15.759","0.004","11.845","0.004","90","","92.11","0.03","90","","1752.3","0.9","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29.6 H50.7 Cl4 N7.7 O1.6 -","- C29.606 H49.704 Cl4 N7.744 O1.512 -","- C59.212 H99.408 Cl8 N15.488 O3.024 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.039","0.0343","","","0.0806","0.0835","","","","","","1.015","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034317","12.549","0.003","13.394","0.003","20.848","0.005","77.96","0.02","82.87","0.02","64.67","0.03","3095.2","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H90 Cl8 N12 O5 -","- C50 H84 Cl8.001 N12 O5 -","- C100 H168 Cl16.002 N24 O10 -","2","2","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.081","0.0668","","","0.1714","0.1904","","","","","","1.025","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034318","14.186","0.005","15.161","0.005","15.444","0.006","97.64","0.04","117.19","0.05","91.85","0.03","2912","2","80","2","80","2","","","","","","","","5","P 1","P 1","1","","","","- C82.5 H153 Cl12 N20 O10 -","- C82.5 H140 Cl12 N20 O9.9999 -","- C82.5 H140 Cl12 N20 O9.9999 -","1","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1074","0.0881","","","0.2522","0.2747","","","","","","1.113","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034319","13.2188","0.0004","8.8154","0.0003","16.5835","0.0006","90","","106.553","0.004","90","","1852.37","0.11","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 N2 O6 Si2 -","- C36 H58 N2 O6 Si2 -","- C72 H116 N4 O12 Si4 -","2","1","","Liu, Yuyin; Wang, Zhi-Peng; Banne, Sreenivas; Guo, Jian; He, Yun","Toward the Total Synthesis of Scabrosins: Synthesis of a Desulfur-scabrosin Skeleton and Its Stereoisomers.","The Journal of organic chemistry","2019","84","9","5838","5845","10.1021/acs.joc.9b00015","","","0.71073","MoKα","","0.0717","0.0574","","","0.1378","0.1499","","","","","","1.046","","","","has coordinates","222858","2020-10-21","18:00:00",""
"4034320","10.822","0.002","10.616","0.003","24.636","0.006","90","","90","","90","","2830.3","1.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0562","0.0535","","","0.1273","0.1292","","","","","","1.129","","","","has coordinates","222859","2020-10-21","18:00:00",""
"4034321","10.563","0.004","13.604","0.005","20.789","0.008","95.046","0.004","95.418","0.006","105.221","0.006","2849.9","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","4","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0798","0.0659","","","0.1566","0.1665","","","","","","1.097","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4034322","11.61","0.005","11.921","0.005","14.947","0.006","90","","93.993","0.006","90","","2063.7","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 B O2 Si -","- C21 H27 B O2 Si -","- C84 H108 B4 O8 Si4 -","4","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0724","0.0544","","","0.1382","0.1496","","","","","","1.093","","","","has coordinates","222861","2020-10-21","18:00:00",""
"4034323","9.87","0.0005","12.7437","0.0005","21.0391","0.0011","90","","98.435","0.002","90","","2617.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br Cl3 O S2 -","- C28 H20 Br Cl3 O S2 -","- C112 H80 Br4 Cl12 O4 S8 -","4","1","","Yu, Jing-Jing; Zhao, Li-Yang; Shi, Zhao-Tao; Zhang, Qi; London, Gabor; Liang, Wen-Jing; Gao, Chuan; Li, Ming-Ming; Cao, Xiao-Ming; Tian, He; Feringa, Ben L.; Qu, Da-Hui","Pumping a Ring-Sliding Molecular Motion by a Light-Powered Molecular Motor.","The Journal of organic chemistry","2019","84","9","5790","5802","10.1021/acs.joc.9b00783","","","0.71073","MoKα","","0.0811","0.0567","","","0.1458","0.1667","","","","","","1.05","","","","has coordinates","222862","2020-10-21","18:00:00",""
"4034324","21.012","0.003","9.291","0.0015","22.808","0.004","90","","115.469","0.002","90","","4019.9","1.1","203","","203","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C184 H176 N16 O56 -","8","1","","Liu, Zhan-Jiang; Huang, Pei-Qiang","Biomimetic Enantioselective Total Synthesis of (-)-Robustanoids A and B and Analogues.","The Journal of organic chemistry","2019","84","9","5627","5634","10.1021/acs.joc.9b00573","","","0.71073","MoKα","","0.0519","0.0496","","","0.1193","0.121","","","","","","1.0226","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034325","12.1414","0.0004","13.874","0.0006","12.6453","0.0005","90","","102.044","0.004","90","","2083.21","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 S -","- C26 H18 N4 S -","- C104 H72 N16 S4 -","4","1","","Tian, Lu-Lu; Lu, Shuai; Zhang, Zhe-Hua; Huang, En-Ling; Yan, Hua-Ting; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Catalyzed Double Thiolation To Access Sulfur-Bridged Imidazopyridines with Isothiocyanate.","The Journal of organic chemistry","2019","84","9","5213","5221","10.1021/acs.joc.9b00186","","x-ray","1.54184","CuKα","","0.0594","0.046","","","0.1204","0.1348","","","","","","1.021","","","","has coordinates","222864","2020-10-21","18:00:00",""
"4034326","12.6916","0.0008","14.151","0.0008","11.559","0.0003","90","","97.054","0.004","90","","2060.27","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 S -","- C26 H18 N4 S -","- C104 H72 N16 S4 -","4","1","","Tian, Lu-Lu; Lu, Shuai; Zhang, Zhe-Hua; Huang, En-Ling; Yan, Hua-Ting; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Catalyzed Double Thiolation To Access Sulfur-Bridged Imidazopyridines with Isothiocyanate.","The Journal of organic chemistry","2019","84","9","5213","5221","10.1021/acs.joc.9b00186","","x-ray","1.54184","CuKα","","0.0636","0.0468","","","0.1205","0.1362","","","","","","1.034","","","","has coordinates","222865","2020-10-21","18:00:00",""
"4034327","8.3166","0.0017","9.658","0.002","13.006","0.003","79.557","0.005","88.171","0.005","76.363","0.005","998.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O2 S2 -","- C24 H17 N O2 S2 -","- C48 H34 N2 O4 S4 -","2","1","","Ansari, Monish A.; Yadav, Dhananjay; Soni, Sonam; Srivastava, Abhijeet; Singh, Maya Shankar","Visible-Light-Mediated Synthesis of 1,2,4-Dithiazolidines from β-Ketothioamides through a Hydrogen-Atom-Transfer Photocatalytic Approach of Eosin Y.","The Journal of organic chemistry","2019","84","9","5404","5412","10.1021/acs.joc.9b00406","","","0.71073","MoKα","","0.0591","0.0387","","","0.0896","0.1001","","","","","","1.027","","","","has coordinates","222866","2020-10-21","18:00:00",""
"4034328","29.6487","0.0011","13.0893","0.0005","17.7197","0.0007","90","","96.913","0.002","90","","6826.7","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 B O P S2 -","- C38 H36 B O P S2 -","- C304 H288 B8 O8 P8 S16 -","8","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0716","0.0534","","","0.1336","0.1447","","","","","","1.061","","","","has coordinates,has disorder","222867","2020-10-21","18:00:00",""
"4034329","11.6641","0.0007","12.1907","0.0007","14.4512","0.0009","80.433","0.002","89.399","0.002","78.359","0.002","1984","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 B O P S2 -","- C46 H52 B O P S2 -","- C92 H104 B2 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0621","0.0456","","","0.0975","0.1062","","","","","","1.034","","","","has coordinates","222868","2020-10-21","18:00:00",""
"4034330","8.8277","0.0009","12.822","0.0013","15.1587","0.0017","103.228","0.005","97.761","0.005","91.734","0.005","1651.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H45 B O S3 -","- C35 H45 B O S3 -","- C70 H90 B2 O2 S6 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0845","0.0641","","","0.1507","0.1715","","","","","","1.058","","","","has coordinates,has disorder","222869","2020-10-21","18:00:00",""
"4034331","18.0467","0.0004","20.8531","0.0004","23.1236","0.0005","90","","103.603","0.001","90","","8458","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 B O P S2 -","- C54 H44 B O P S2 -","- C432 H352 B8 O8 P8 S16 -","8","2","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0505","0.0399","","","0.1032","0.1107","","","","","","1.049","","","","has coordinates","222870","2020-10-21","18:00:00",""
"4034332","11.018","0.002","13.978","0.002","14.495","0.002","100.529","0.004","102.683","0.004","91.51","0.004","2136.1","0.6","90.15","","90.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 B Cl2 O P S2 -","- C51 H46 B Cl2 O P S2 -","- C102 H92 B2 Cl4 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0692","0.0437","","","0.0987","0.1097","","","","","","1.03","","","","has coordinates","222871","2020-10-21","18:00:00",""
"4034333","14.5432","0.0005","21.3618","0.0006","14.7634","0.0004","90","","110.208","0.001","90","","4304.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B O3 P S2 -","- C52 H48 B O3 P S2 -","- C208 H192 B4 O12 P4 S8 -","4","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.046","0.039","","","0.0885","0.0935","","","","","","1.034","","","","has coordinates","222872","2020-10-21","18:00:00",""
"4034334","33.057","0.003","8.1023","0.0006","26.4753","0.0018","90","","107.952","0.006","90","","6745.9","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H44.75 B O2 S3 -","- C35 H44.75 B O2 S3 -","- C280 H358 B8 O16 S24 -","8","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0745","0.0512","","","0.1278","0.1389","","","","","","1.043","","","","has coordinates,has disorder","222873","2020-10-21","18:00:00",""
"4034335","11.8758","0.0012","12.0304","0.0015","16.3579","0.0015","77.637","0.003","88.199","0.003","76.017","0.003","2214.7","0.4","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 B O P S2 -","- C52 H64 B O P S2 -","- C104 H128 B2 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0435","0.0357","","","0.0939","0.0991","","","","","","1.051","","","","has coordinates","222874","2020-10-21","18:00:00",""
"4034336","5.80118","0.00004","13.5476","0.00006","21.7017","0.0001","90","","90","","90","","1705.58","0.016","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Rokade, Balaji V.; Guiry, Patrick J.","Enantioselective Catalytic Asymmetric A3 Coupling with Phosphino-Imidazoline Ligands.","The Journal of organic chemistry","2019","84","9","5763","5772","10.1021/acs.joc.9b00728","","","1.54184","CuKα","","0.0282","0.0277","","","0.0758","0.0763","","","","","","1.104","","","","has coordinates","222875","2020-10-21","18:00:00",""
"4034337","7.1461","0.0003","16.5305","0.0007","16.9667","0.0008","90","","90","","90","","2004.25","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 S -","- C19 H26 O5 S -","- C76 H104 O20 S4 -","4","1","","Hazarika, Hemanta; Neog, Kashmiri; Sharma, Abhilash; Das, Babulal; Gogoi, Pranjal","Three-Component Coupling Reactions of Aryne, DMSO, and Activated Alkyne: Stereoselective Synthesis of 2-[( o-Methylthio)aryloxy]-Substituted Dialkyl Maleates.","The Journal of organic chemistry","2019","84","9","5846","5854","10.1021/acs.joc.9b00090","","","0.71073","MoKα","","0.0504","0.0367","","","0.0763","0.0818","","","","","","0.937","","","","has coordinates","222876","2020-10-21","18:00:00",""
"4034338","9.38","0.001","11.273","0.0011","25.44","0.003","90","","90","","90","","2690","0.5","300","2","300.27","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 S -","- C27 H30 N2 O5 S -","- C108 H120 N8 O20 S4 -","4","1","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.0803","0.0598","","","0.1382","0.1483","","","","","","1.052","","","","has coordinates","222877","2020-10-21","18:00:00",""
"4034339","5.602","0.0006","18.4031","0.0018","24.676","0.003","90","","90.769","0.004","90","","2543.7","0.5","102","2","102.19","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 I N2 O3 -","- C26 H23 I N2 O3 -","- C104 H92 I4 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1028","0.0794","","","0.1975","0.2224","","","","","","1.03","","","","has coordinates,has disorder","222878","2020-10-21","18:00:00",""
"4034340","11.06","0.002","9.1934","0.0017","22.324","0.005","90","","94.265","0.007","90","","2263.6","0.8","100","2","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1287","0.081","","","0.1886","0.2241","","","","","","0.99","","","","has coordinates","222879","2020-10-21","18:00:00",""
"4034341","7.3739","0.0003","9.7254","0.0003","11.292","0.0004","108.782","0.001","103.782","0.001","98.661","0.001","721.49","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.","Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.","The Journal of organic chemistry","2019","84","9","5056","5066","10.1021/acs.joc.8b03267","","","0.71073","MoKα","","0.0406","0.0364","","","0.0948","0.0981","","","","","","1.052","","","","has coordinates","222880","2020-10-21","18:00:00",""
"4034342","27.2621","0.0007","27.2621","0.0007","10.2163","0.0003","90","","90","","120","","6575.7","0.3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C342 H270 N18 O36 -","18","1","","Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.","Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.","The Journal of organic chemistry","2019","84","9","5056","5066","10.1021/acs.joc.8b03267","","","0.71073","MoKα","","0.0636","0.0451","","","0.1045","0.1143","","","","","","1.033","","","","has coordinates","222881","2020-10-21","18:00:00",""
"4034343","8.2249","0.0008","9.6794","0.0007","12.1006","0.001","71.122","0.007","84.574","0.007","71.434","0.008","864.06","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Sanogo, Youssouf; Othman, Raja Ben; Dhambri, Sabrina; Selkti, Mohamed; Jeuken, Alan; Prunet, Joëlle; Férézou, Jean-Pierre; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Ti(II) and Rh(I) Complexes as Reagents toward a Thapsigargin Core.","The Journal of organic chemistry","2019","84","9","5821","5830","10.1021/acs.joc.8b03249","","x-ray","0.71073","MoKα","","0.0642","0.0479","","","0.1317","0.143","","","","","","1.05","","","","has coordinates","222882","2020-10-21","18:00:00",""
"4034344","14.1845","0.0005","8.4955","0.0003","25.876","0.003","90","","100.645","0.007","90","","3064.5","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C120 H176 O40 -","8","1","","Sanogo, Youssouf; Othman, Raja Ben; Dhambri, Sabrina; Selkti, Mohamed; Jeuken, Alan; Prunet, Joëlle; Férézou, Jean-Pierre; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Ti(II) and Rh(I) Complexes as Reagents toward a Thapsigargin Core.","The Journal of organic chemistry","2019","84","9","5821","5830","10.1021/acs.joc.8b03249","","","1.54187","CuKα","","0.0998","0.0687","","","0.1973","0.2378","","","","","","1.12","","","","has coordinates","222883","2020-10-21","18:00:00",""
"4034345","14.4545","0.0004","14.4545","0.0004","11.1066","0.0004","90","","90","","120","","2009.64","0.11","93","","93","","","","","","","","","6","P 31","P 31","144","","","","- C23 H29 F3 N2 O9 S2 -","- C23 H29 F3 N2 O9 S2 -","- C69 H87 F9 N6 O27 S6 -","3","1","","Kaneko, Hiroki; Takahashi, Shunsuke; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Fawcettimine-Type Lycopodium Alkaloid, Lycopoclavamine-A.","The Journal of organic chemistry","2019","84","9","5645","5654","10.1021/acs.joc.9b00586","","","1.54187","CuKα","","0.1971","0.1076","","","0.228","0.3012","","","","","","1.369","","","","has coordinates","222884","2020-10-21","18:00:00",""
"4034346","10.654","0.001","12.563","0.002","26.016","0.004","90","","103.023","0.002","90","","3392.6","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C152 H144 N16 O40 -","8","1","","Pirovano, Valentina; Brambilla, Elisa; Rizzato, Silvia; Abbiati, Giorgio; Bozzi, Marta; Rossi, Elisabetta","Gold-Catalyzed Cascade Reactions of 4 H-Furo[3,2- b]indoles with Allenamides: Synthesis of Indolin-3-one Derivatives.","The Journal of organic chemistry","2019","84","9","5150","5166","10.1021/acs.joc.9b00143","","x-ray","0.71073","MoKα","","0.0942","0.0643","","","0.1596","0.1765","","","","","","1.03","","","","has coordinates","222885","2020-10-21","18:00:00",""
"4034347","10.5752","0.0005","11.3591","0.0006","16.2379","0.0008","79.02","0.001","82.161","0.001","70.701","0.001","1801.58","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","2","","Pirovano, Valentina; Brambilla, Elisa; Rizzato, Silvia; Abbiati, Giorgio; Bozzi, Marta; Rossi, Elisabetta","Gold-Catalyzed Cascade Reactions of 4 H-Furo[3,2- b]indoles with Allenamides: Synthesis of Indolin-3-one Derivatives.","The Journal of organic chemistry","2019","84","9","5150","5166","10.1021/acs.joc.9b00143","","x-ray","0.71073","MoKα","","0.0634","0.0489","","","0.131","0.1431","","","","","","1.025","","","","has coordinates,has disorder","222885","2020-10-21","18:00:00",""
"4034348","9.5434","0.0015","10.2429","0.0015","10.6535","0.0015","71.312","0.004","76.32","0.004","87.19","0.004","958.1","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O -","- C24 H21 N O -","- C48 H42 N2 O2 -","2","1","","Zhang, Yazhen; Huang, Liliang; Li, Xiaoyang; Wang, Le; Feng, Huangdi","Chemo- and Diastereoselective Synthesis of N-Propargyl Oxazolidines through a Copper-Catalyzed Domino A<sup>3</sup> Reaction.","The Journal of organic chemistry","2019","84","9","5046","5055","10.1021/acs.joc.8b03244","","","0.71073","MoKα","","0.1697","0.0901","","","0.1928","0.225","","","","","","1.049","","","","has coordinates,has disorder","222886","2020-10-21","18:00:00",""
"4034349","16.7664","0.0005","7.0835","0.0002","23.4964","0.0008","90","","90","","90","","2790.55","0.15","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 I2 -","- C15 H12 I2 -","- C120 H96 I16 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0385","0.0295","","","0.0587","0.0619","","","","","","1.025","","","","has coordinates","222887","2020-10-21","18:00:00",""
"4034350","10.7186","0.0003","11.7426","0.0003","12.709","0.0003","85.646","0.002","67.22","0.001","85.535","0.002","1468.54","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H22 F9 N O3 S Si -","- C30 H22 F9 N O3 S Si -","- C60 H44 F18 N2 O6 S2 Si2 -","2","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0823","0.0467","","","0.1082","0.121","","","","","","1.081","","","","has coordinates","222888","2020-10-21","18:00:00",""
"4034351","25.3984","0.0009","12.3476","0.0003","17.0885","0.0006","90","","132.247","0.003","90","","3967.1","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 B N2 O Si -","- C21 H21 B N2 O Si -","- C168 H168 B8 N16 O8 Si8 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0512","0.0386","","","0.0929","0.102","","","","","","1.031","","","","has coordinates","222889","2020-10-21","18:00:00",""
"4034352","18.524","0.0006","10.8785","0.0006","13.2463","0.0006","90","","129.107","0.004","90","","2071.3","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","1","","Bollu, Amarnath; Sharma, Nagendra K.","Cleavable Amide Bond: Mechanistic Insight into Cleavable 4-Aminopyrazolyloxy Acetamide at Low pH.","The Journal of organic chemistry","2019","84","9","5596","5602","10.1021/acs.joc.9b00535","","","0.71073","MoKα","","0.0518","0.0441","","","0.1169","0.1276","","","","","","1.066","","","","has coordinates","222890","2020-10-21","18:00:00",""
"4034353","8.7598","0.0003","11.9832","0.0003","16.0074","0.0004","90","","90","","90","","1680.3","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F N2 O4 S -","- C17 H15 F N2 O4 S -","- C68 H60 F4 N8 O16 S4 -","4","1","","Zhao, Jianbo; Li, Ya; Chen, Ling-Yan; Ren, Xinfeng","Enantioselective Mannich Reactions of 3-Fluorooxindoles with Cyclic N-Sulfamidate Aldimines.","The Journal of organic chemistry","2019","84","9","5099","5108","10.1021/acs.joc.9b00007","","","0.71073","MoKα","","0.0386","0.0347","","","0.0907","0.0944","","","","","","1.039","","","","has coordinates","222891","2020-10-21","18:00:00",""
"4034354","6.1251","0.0002","17.1463","0.0005","19.4588","0.0007","90","","90.903","0.003","90","","2043.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 S3 -","- C24 H18 N2 S3 -","- C96 H72 N8 S12 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0685","0.0428","","","0.0674","0.0743","","","","","","1.082","","","","has coordinates","222892","2020-10-21","18:00:00",""
"4034355","9.7001","0.0007","10.8001","0.0008","18.1902","0.0013","90","","93.173","0.007","90","","1902.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Cl N S3 -","- C22 H12 Cl N S3 -","- C88 H48 Cl4 N4 S12 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0654","0.0439","","","0.0827","0.0957","","","","","","1.007","","","","has coordinates","222893","2020-10-21","18:00:00",""
"4034356","6.1973","0.0005","31.092","0.003","7.8625","0.0007","90","","98.747","0.007","90","","1497.4","0.2","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N S -","- C18 H17 N S -","- C72 H68 N4 S4 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.1695","0.0659","","","0.0803","0.1063","","","","","","0.998","","","","has coordinates","222894","2020-10-21","18:00:00",""
"4034357","9.8448","0.0009","12.6834","0.0012","15.882","0.0014","74.186","0.004","86.987","0.004","77.953","0.004","1866","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Cl N S3 -","- C22 H12 Cl N S3 -","- C88 H48 Cl4 N4 S12 -","4","2","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0578","0.0431","","","0.0781","0.0862","","","","","","1.066","","","","has coordinates,has disorder","222895","2020-10-21","18:00:00",""
"4034358","6.3002","0.0004","12.8333","0.0006","22.1179","0.001","90","","90","","90","","1788.28","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Li, Geng; Li, Heng; Zhang, Quan; Yang, Min; Gu, Yu-Cheng; Liang, Lin-Fu; Tang, Wei; Guo, Yue-Wei","Rare Cembranoids from Chinese Soft Coral Sarcophyton ehrenbergi: Structural and Stereochemical Studies.","The Journal of organic chemistry","2019","84","9","5091","5098","10.1021/acs.joc.9b00030","","","1.54178","CuKα","","0.0322","0.0301","","","0.0801","0.0815","","","","","","1.048","","","","has coordinates","222896","2020-10-21","18:00:00",""
"4034359","10.5465","0.0003","10.7385","0.0003","11.308","0.0003","90","","90","","90","","1280.67","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F3 O2 -","- C6 H7 F3 O2 -","- C48 H56 F24 O16 -","8","2","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0323","0.0288","","","0.0717","0.0731","","","","","","1.033","","","","has coordinates","222897","2020-10-21","18:00:00",""
"4034360","5.0898","0.0014","7.4264","0.0013","9.842","0.003","90","","102.18","0.03","90","","363.64","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C12 H18 F6 O6 -","2","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0985","0.0891","","","0.245","0.2599","","","","","","1.113","","","","has coordinates","222898","2020-10-21","18:00:00",""
"4034361","5.4802","0.0001","7.5663","0.0002","18.5353","0.0005","90","","90","","90","","768.56","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C24 H36 F12 O12 -","4","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0344","0.0335","","","0.0912","0.0921","","","","","","1.066","","","","has coordinates","222899","2020-10-21","18:00:00",""
"4034362","45.8821","0.0012","12.5134","0.0004","9.1092","0.0002","90","","95.645","0.002","90","","5204.6","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C192 H256 F64 O96 -","32","8","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0483","0.0341","","","0.1012","0.1164","","","","","","1.053","","","","has coordinates","222900","2020-10-21","18:00:00",""
"4034363","9.4854","0.0007","12.5272","0.001","13.1934","0.0016","63.411","0.01","89.962","0.008","80.155","0.006","1376.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H35 N3 -","- C33 H35 N3 -","- C66 H70 N6 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.1181","0.0951","","","0.2197","0.2328","","","","","","1.126","","","","has coordinates","222901","2020-10-21","18:00:00",""
"4034364","9.2883","0.0007","23.2285","0.0008","9.3154","0.0007","90","","109.472","0.008","90","","1894.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","2","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","","1.54187","CuKα","","0.1005","0.0411","","","0.0857","0.1371","","","","","","1.149","","","","has coordinates","222902","2020-10-21","18:00:00",""
"4034365","25.855","0.002","9.4237","0.0006","25.289","0.002","90","","114.109","0.01","90","","5624.2","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H35 N3 -","- C33 H35 N3 -","- C264 H280 N24 -","8","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.0907","0.069","","","0.1751","0.1887","","","","","","1.032","","","","has coordinates","222903","2020-10-21","18:00:00",""
"4034366","5.9434","0.0006","12.1854","0.0012","15.7437","0.0014","88.834","0.008","84.137","0.008","81.962","0.008","1123.07","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C54 H46 N6 O6 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.1124","0.0657","","","0.1547","0.1725","","","","","","1.031","","","","has coordinates,has disorder","222904","2020-10-21","18:00:00",""
"4034367","26.394","0.003","7.2723","0.0008","14.8685","0.0013","90","","95.381","0.008","90","","2841.4","0.5","293.39","0.1","293.39","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Zhu, Jing; Li, Rui; Su, Yan; Gu, Peiming","Synthesis of Isoindoles from Intramolecular Condensation of Benzyl Azides with α-Aryldiazoesters.","The Journal of organic chemistry","2019","84","9","5813","5820","10.1021/acs.joc.8b03180","","","0.71073","MoKα","","0.102","0.0604","","","0.1352","0.169","","","","","","1.074","","","","has coordinates","222905","2020-10-21","18:00:00",""
"4034368","12.8127","0.0008","9.6523","0.0005","15.1119","0.0009","90","","91.014","0.003","90","","1868.63","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Ag F3 N4 O2 -","- C32 H56 Ag F3 N4 O2 -","- C64 H112 Ag2 F6 N8 O4 -","2","0.5","","Mir, Roya; Rowshanpour, Rozhin; Dempsey, Katie; Pilkington, Melanie; Dudding, Travis","Selective Aerobic Oxidation of Benzylic Alcohols Catalyzed by a Dicyclopropenylidene-Ag(I) Complex.","The Journal of organic chemistry","2019","84","9","5726","5731","10.1021/acs.joc.9b00624","","","0.71073","MoKα","","0.0706","0.0608","","","0.1696","0.1827","","","","","","1.14","","","","has coordinates,has disorder","222906","2020-10-21","18:00:00",""
"4034369","7.5095","0.001","13.3501","0.0018","18.111","0.003","90","","90","","90","","1815.7","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Matsubara, Ryosuke; Kaiba, Tomoaki; Nakata, Akito; Yabuta, Tatsushi; Hayashi, Masahiko; Tsubaki, Motonari; Uchino, Takashi; Chatani, Eri","9-Aryl-3-aminocarbazole as an Environment- and Stimuli-Sensitive Fluorogen and Applications in Lipid Droplet Imaging.","The Journal of organic chemistry","2019","84","9","5535","5547","10.1021/acs.joc.9b00493","","","0.71069","MoKα","","","0.042","","","","0.0975","","","","","","1.033","","","","has coordinates","222907","2020-10-21","18:00:00",""
"4034370","15.6759","0.0005","7.256","0.0002","19.3615","0.0005","90","","111.935","0.004","90","","2042.84","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","","John, Jubi; Omanakuttan, Vishnu K.; T, Aneeja; Suresh, Cherumuttathu H.; Jones, Peter G.; Hopf, Henning","Tandem α-Arylation/Cyclization of 4-Haloacetoacetates with Arynes: A Metal-Free Approach toward 4-Aryl-3-(2 H)-furanones.","The Journal of organic chemistry","2019","84","9","5957","5964","10.1021/acs.joc.9b00488","","","0.71073","MoKα","","0.0397","0.0358","","","0.0951","0.0985","","","","","","1.054","","","","has coordinates","222908","2020-10-21","18:00:00",""
"4034371","7.3441","0.0004","8.1078","0.0006","13.414","0.0008","77.358","0.007","82.035","0.007","63.503","0.01","696.73","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br I N O -","- C15 H9 Br I N O -","- C30 H18 Br2 I2 N2 O2 -","2","1","","Mehta, Saurabh; Brahmchari, Dhirendra","Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones.","The Journal of organic chemistry","2019","84","9","5492","5503","10.1021/acs.joc.9b00452","","","0.71073","MoKα","","0.0754","0.0599","","","0.144","0.1561","","","","","","1.07","","","","has coordinates","222909","2020-10-21","18:00:00",""
"4034372","9.3645","0.0006","6.711","0.0005","17.121","0.001","90","","96.72","0.006","90","","1068.58","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N O -","- C15 H9 N O -","- C60 H36 N4 O4 -","4","1","","Mehta, Saurabh; Brahmchari, Dhirendra","Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones.","The Journal of organic chemistry","2019","84","9","5492","5503","10.1021/acs.joc.9b00452","","","0.71073","MoKα","","0.1052","0.0528","","","0.1054","0.1377","","","","","","1.063","","","","has coordinates","222910","2020-10-21","18:00:00",""
"4034373","7.5742","0.0006","9.6811","0.0008","14.8804","0.0012","75.378","0.007","82.224","0.006","85.679","0.006","1045.12","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H17 B F5 N3 O S -","- C23 H17 B F5 N3 O S -","- C46 H34 B2 F10 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.1027","0.0844","","","0.2539","0.2688","","","","","","1.154","","","","has coordinates","222911","2020-10-21","18:00:00",""
"4034374","7.475","0.0002","8.3821","0.0003","13.9171","0.0005","81.503","0.003","75.608","0.003","76.458","0.003","817.42","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H13 B Br F2 N3 O S -","- C16 H13 B Br F2 N3 O S -","- C32 H26 B2 Br2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0297","0.0243","","","0.0614","0.0629","","","","","","1.045","","","","has coordinates","222912","2020-10-21","18:00:00",""
"4034375","9.487","0.0004","9.5942","0.0003","21.6881","0.0008","89.071","0.003","83.721","0.003","73.245","0.003","1878.67","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 B F2 N3 O S -","- C22 H18 B F2 N3 O S -","- C88 H72 B4 F8 N12 O4 S4 -","4","2","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0555","0.0505","","","0.1344","0.1384","","","","","","0.96","","","","has coordinates","222913","2020-10-21","18:00:00",""
"4034376","14.8687","0.0005","9.9039","0.0002","14.7449","0.0004","90","","113.696","0.004","90","","1988.24","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 B F2 N4 O S -","- C23 H17 B F2 N4 O S -","- C92 H68 B4 F8 N16 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.0476","0.0385","","","0.0994","0.1045","","","","","","1.035","","","","has coordinates","222914","2020-10-21","18:00:00",""
"4034377","5.9096","0.0002","7.6125","0.0002","47.0191","0.0011","90","","90","","90","","2115.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 B F2 N4 O S -","- C24 H23 B F2 N4 O S -","- C96 H92 B4 F8 N16 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0331","0.0307","","","0.0788","0.0806","","","","","","1.074","","","","has coordinates","222915","2020-10-21","18:00:00",""
"4034378","5.4633","0.0002","7.9239","0.0004","42.334","0.002","90","","90","","90","","1832.67","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 B F2 N3 O S2 -","- C20 H16 B F2 N3 O S2 -","- C80 H64 B4 F8 N12 O4 S8 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.0604","0.0554","","","0.1378","0.1396","","","","","","1.065","","","","has coordinates,has disorder","222916","2020-10-21","18:00:00",""
"4034379","7.5467","0.0003","7.0232","0.0002","39.1624","0.0013","90","","93.585","0.003","90","","2071.62","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O2 S -","- C23 H20 B F2 N3 O2 S -","- C92 H80 B4 F8 N12 O8 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.048","0.045","","","0.1197","0.1214","","","","","","1.119","","","","has coordinates","222917","2020-10-21","18:00:00",""
"4034380","11.75","0.003","5.2155","0.0013","22.757","0.005","90","","102.894","0.005","90","","1359.4","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao","Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.","The Journal of organic chemistry","2019","84","9","5913","5921","10.1021/acs.joc.9b00282","","","0.71073","MoKα","","0.0927","0.0466","","","0.1097","0.1306","","","","","","1.026","","","","has coordinates","222918","2020-10-21","18:00:00",""
"4034381","37.313","0.003","37.313","0.003","4.8514","0.0005","90","","90","","120","","5849.5","0.9","297","","297.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C288 H180 N36 O36 -","18","1","","Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao","Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.","The Journal of organic chemistry","2019","84","9","5913","5921","10.1021/acs.joc.9b00282","","","1.54178","CuKα","","0.1248","0.0808","","","0.1945","0.2233","","","","","","1.048","","","","has coordinates","222919","2020-10-21","18:00:00",""
"4034382","12.0357","0.0002","18.1671","0.0004","21.3736","0.0004","90","","91.8761","0.0016","90","","4670.91","0.16","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C208 H272 O48 -","8","2","","Ma, Tsz-Kan; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Radical Anion Cascade Triene Cyclization: Biomimetic Total Syntheses of Austalide Natural Products.","The Journal of organic chemistry","2019","84","9","4961","4970","10.1021/acs.joc.9b00142","","","1.54184","CuKα","","0.0905","0.0538","","","0.1226","0.1446","","","","","","1.01","","","","has coordinates,has disorder","222920","2020-10-21","18:00:00",""
"4034383","7.9945","0.0013","8.1909","0.0014","11.3613","0.0019","108.674","0.005","101.616","0.005","98.853","0.006","671","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C36 H28 N4 O2 -","2","1","","Belyaeva, Kseniya V.; Nikitina, Lina P.; Mal'kina, Anastasiya G.; Afonin, Andrei V.; Vashchenko, Alexander V.; Trofimov, Boris A.","Cyanoacetylenes as Triggers and Partners in KOH-Assisted Assemblies of Quinoline-Based Dihydropyrimido[1,2-<i>a</i>]quinolin-3-ones on Water.","The Journal of organic chemistry","2019","84","15","9726","9733","10.1021/acs.joc.9b01482","","","0.71073","MoKα","","0.0981","0.066","","","0.1632","0.1823","","","","","","1.055","","","","has coordinates","222921","2020-10-21","18:00:00",""
"4034384","9.6872","0.0009","12.243","0.0012","16.6225","0.0015","90","","102.063","0.003","90","","1927.9","0.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","1","","Narangoda, Chandima J.; Kakeshpour, Tayeb; Lex, Timothy R.; Redden, Brandon K.; Moore, Madelyn A.; Frank, Emma M.; McMillen, Colin D.; Wiskur, Sheryl L.; Kitaygorodskiy, Alex; Jackson, James E.; Whitehead, Daniel C.","Cycloaddition/Electrocyclic Ring Opening Sequence between Alkynyl Sulfides and Azodicarboxylates To Provide <i>N</i>,<i>N</i>-Dicarbamoyl 2-Iminothioimidates.","The Journal of organic chemistry","2019","84","15","9734","9743","10.1021/acs.joc.9b01515","","","0.71073","MoKα","","0.0395","0.0331","","","0.0763","0.08","","","","","","1.08","","","","has coordinates","222922","2020-10-21","18:00:00",""
"4034385","8.3957","0.0005","10.1273","0.0006","10.864","0.0006","94.618","0.003","95.332","0.004","94.579","0.004","913.18","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br N2 O6 -","- C18 H15 Br N2 O6 -","- C36 H30 Br2 N4 O12 -","2","1","","Ono, Yoshiki; Nakazaki, Atsuo; Ueki, Kaori; Higuchi, Keiko; Sriphana, Uraiwan; Adachi, Masaatsu; Nishikawa, Toshio","Asymmetric Synthesis of the Aromatic Fragment of Sespendole.","The Journal of organic chemistry","2019","84","15","9750","9757","10.1021/acs.joc.9b01597","","","1.54187","CuKα","","0.0692","0.0567","","","0.1542","0.1637","","","","","","1.099","","","","has coordinates","222923","2020-10-21","18:00:00",""
"4034386","42.404","0.006","7.2286","0.0007","20.011","0.004","90","","103.906","0.014","90","","5954","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","10 in manuscript","","","- C38 H24 O2.5 S2 -","- C38 H24 O2.5 S2 -","- C304 H192 O20 S16 -","8","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.4247","0.3019","","","0.5621","0.612","","","","","","3.154","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034387","6.3875","0.0005","15.891","0.0013","6.5698","0.0005","90","","100.771","0.0011","90","","655.11","0.09","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br4 -","- C14 H6 Br4 -","- C28 H12 Br8 -","2","0.5","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","0.71073","MoKα","","0.0229","0.0193","","","0.0451","0.0462","","","","","","1.034","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034388","21.1699","0.0009","12.3706","0.0003","25.2309","0.0011","90","","103.887","0.003","90","","6414.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","18 in manuscript","","","- C74 H78 O2 Si4 -","- C74 H78 O2 Si4 -","- C296 H312 O8 Si16 -","4","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.1784","0.0786","","","0.144","0.1845","","","","","","1.02","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034389","25.742","0.0007","12.162","0.0002","18.7326","0.0004","90","","105.989","0.002","90","","5637.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","17 in manuscript","","","- C56 H84 O2 Si6 -","- C56 H84 O2 Si6 -","- C224 H336 O8 Si24 -","4","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.0622","0.0463","","","0.1062","0.1169","","","","","","1.057","","","","has coordinates,has disorder","222924","2020-10-21","18:00:00",""
"4034390","14.9128","0.0009","9.6989","0.0005","19.5579","0.001","90","","96.549","0.006","90","","2810.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 N3 O2 S -","- C35 H33 N3 O2 S -","- C140 H132 N12 O8 S4 -","4","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0866","0.064","","","0.1655","0.1878","","","","","","1.041","","","","has coordinates","222925","2020-10-21","18:00:00",""
"4034391","10.2015","0.0009","10.5115","0.001","12.4818","0.0014","66.676","0.01","66.523","0.01","89.163","0.007","1110.9","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N3 O2 S -","- C27 H25 N3 O2 S -","- C54 H50 N6 O4 S2 -","2","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0764","0.0579","","","0.1503","0.1719","","","","","","1.045","","","","has coordinates","222926","2020-10-21","18:00:00",""
"4034392","8.657","0.0007","26.7995","0.0018","10.5139","0.0008","90","","102.303","0.008","90","","2383.2","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N3 O2 S -","- C28 H27 N3 O2 S -","- C112 H108 N12 O8 S4 -","4","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0717","0.051","","","0.1191","0.1335","","","","","","1.017","","","","has coordinates","222927","2020-10-21","18:00:00",""
"4034393","13.11","0.01","8.187","0.003","19.242","0.005","90","","106.69","0.04","90","","1978.3","1.8","373","2","373","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49.6 H35.2 Cl1.2 -","- C49.6 H35.2 Cl1.2 -","- C99.2 H70.4 Cl2.4 -","2","0.5","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1021","0.0899","","","0.2498","0.2672","","","","","","1.067","","","","has coordinates,has disorder","222928","2020-10-21","18:00:00",""
"4034394","15.485","0.003","9.779","0.004","26.384","0.004","90","","96.527","0.003","90","","3969.4","1.9","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C51 H38 Cl4 -","- C51 H38 Cl4 -","- C204 H152 Cl16 -","4","1","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1095","0.0912","","","0.2565","0.2725","","","","","","1.034","","","","has coordinates,has disorder","222929","2020-10-21","18:00:00",""
"4034395","12.8137","0.0007","16.6915","0.001","10.8066","0.0007","90","","99.3292","0.0014","90","","2280.7","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C84 H128 N8 O24 -","4","1","","Osaka, Kazuyuki; Usami, Ayuka; Iwasaki, Tomoya; Yamawaki, Mugen; Morita, Toshio; Yoshimi, Yasuharu","Sequential Intermolecular Radical Addition and Reductive Radical Cyclization of Tyrosine and Phenylalanine Derivatives with Alkenes via Photoinduced Decarboxylation: Access to Ring-Constrained γ-Amino Acids.","The Journal of organic chemistry","2019","84","15","9480","9488","10.1021/acs.joc.9b00970","","","0.71075","MoKα","","","0.1038","","","","0.4488","","","","","","0.752","","","","has coordinates","222930","2020-10-21","18:00:00",""
"4034396","11.2529","0.0006","10.6509","0.0006","15.9247","0.0009","90","","102.231","0.006","90","","1865.31","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 O P S2 -","- C17 H27 O P S2 -","- C68 H108 O4 P4 S8 -","4","1","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","x-ray","0.71073","MoKα","","0.0332","0.0276","","","0.0667","0.0699","","","","","","1.031","","","","has coordinates","222931","2020-10-21","18:00:00",""
"4034397","7.6112","0.0001","11.6546","0.0002","22.0545","0.0004","90","","97.261","0.002","90","","1940.67","0.06","173","2","173","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 P S3 -","- C17 H27 P S3 -","- C68 H108 P4 S12 -","4","2","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","x-ray","1.54184","CuKα","","0.0431","0.0426","","","0.1135","0.1143","","","","","","1.068","","","","has coordinates,has disorder","222931","2020-10-21","18:00:00",""
"4034398","7.6056","0.0003","11.6865","0.0004","11.2799","0.0004","90","","101.66","0.002","90","","981.9","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 P S2 Se -","- C17 H27 P S2 Se -","- C34 H54 P2 S4 Se2 -","2","1","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","","0.71073","MoKα","","0.0345","0.0285","","","0.0589","0.0675","","","","","","1.065","","","","has coordinates","222931","2020-10-21","18:00:00",""
"4034399","10.4256","0.0008","5.0334","0.0003","12.3473","0.0008","90","","100.178","0.007","90","","637.74","0.08","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0537","0.0421","","","0.0821","0.0871","","","","","","1.049","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034400","12.01317","0.00019","5.15118","0.00008","25.5406","0.0004","90","","100.633","0.0016","90","","1553.36","0.04","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","2","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0501","0.0416","","","0.0954","0.1","","","","","","1.05","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034401","8.21878","0.00012","15.829","0.0002","29.2661","0.0004","90","","90","","90","","3807.38","0.09","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C180 H264 O24 -","12","3","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0464","0.0392","","","0.0888","0.0926","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034402","5.43829","0.00016","13.3879","0.0004","16.7506","0.0004","90","","90","","90","","1219.57","0.06","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0546","0.0435","","","0.094","0.0986","","","","","","1.025","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034403","5.6645","0.0008","11.4388","0.0017","21.259","0.004","90","","92.242","0.014","90","","1376.4","0.4","298","0.1","298","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Conboy, Darren; Mirallai, Styliana I.; Craig, Austin; McArdle, Patrick; Al-Kinani, Ali A; Barton, Stephen; Aldabbagh, Fawaz","Incorporating Morpholine and Oxetane into Benzimidazolequinone Antitumor Agents: The Discovery of 1,4,6,9-Tetramethoxyphenazine from Hydrogen Peroxide and Hydroiodic Acid-Mediated Oxidative Cyclizations.","The Journal of organic chemistry","2019","84","15","9811","9818","10.1021/acs.joc.9b01427","","","0.71073","MoKα","","0.173","0.1293","","","0.3623","0.39","","","","","","1.243","","","","has coordinates","222934","2020-10-21","18:00:00",""
"4034404","10.1616","0.0006","10.1802","0.0007","13.8624","0.0009","87.935","0.006","86.834","0.005","64","0.006","1286.81","0.16","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl N2 O3 -","- C12 H17 Cl N2 O3 -","- C48 H68 Cl4 N8 O12 -","4","2","","Conboy, Darren; Mirallai, Styliana I.; Craig, Austin; McArdle, Patrick; Al-Kinani, Ali A; Barton, Stephen; Aldabbagh, Fawaz","Incorporating Morpholine and Oxetane into Benzimidazolequinone Antitumor Agents: The Discovery of 1,4,6,9-Tetramethoxyphenazine from Hydrogen Peroxide and Hydroiodic Acid-Mediated Oxidative Cyclizations.","The Journal of organic chemistry","2019","84","15","9811","9818","10.1021/acs.joc.9b01427","","","0.71073","MoKα","","0.088","0.0682","","","0.1703","0.1834","","","","","","1.124","","","","has coordinates","222935","2020-10-21","18:00:00",""
"4034405","9.4881","0.0008","34.08","0.004","21.122","0.002","90","","90","","90","","6829.9","1.2","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C75 H65 B F2 N2 -","- C75 H65 B F2 N2 -","- C300 H260 B4 F8 N8 -","4","0.5","","Miao, Wei; Feng, Yuanmei; Wu, Qinghua; Sheng, Wanle; Li, Mao; Liu, Qingyun; Hao, Erhong; Jiao, Lijuan","Phenanthro[<i>b</i>]-Fused BODIPYs through Tandem Suzuki and Oxidative Aromatic Couplings: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2019","84","15","9693","9704","10.1021/acs.joc.9b01425","","","0.71073","MoKα","","0.1163","0.069","","","0.1591","0.1828","","","","","","1.04","","","","has coordinates","222936","2020-10-21","18:00:00",""
"4034406","7.2849","0.0011","8.8114","0.0013","13.947","0.002","92.768","0.002","99.629","0.003","113.402","0.002","803.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Wang, Mingshan; Shi, Lou; Li, Yifei; Liu, Qun; Pan, Ling","Synthesis of γ-Pyrones from Formal [4 + 2] Cyclization of Ketene Dithioacetals with Acyl Chlorides.","The Journal of organic chemistry","2019","84","15","9603","9610","10.1021/acs.joc.9b01254","","","0.71073","MoKα","","0.0642","0.0478","","","0.118","0.1409","","","","","","1.091","","","","has coordinates","222937","2020-10-21","18:00:00",""
"4034407","12.238","0.0001","12.238","0.0001","13.7036","0.0002","90","","90","","90","","2052.37","0.04","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0289","0.0284","","","0.0704","0.0708","","","","","","1.078","","","","has coordinates","222938","2020-10-21","18:00:00",""
"4034408","8.0131","0.0002","8.5786","0.0002","18.3195","0.0005","90","","90","","90","","1259.3","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0562","0.0535","","","0.1524","0.1569","","","","","","1.065","","","","has coordinates","222939","2020-10-21","18:00:00",""
"4034409","11.6263","0.0001","13.4946","0.0001","11.7477","0.0001","90","","90.512","0.001","90","","1843.05","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N P -","- C24 H24 N P -","- C96 H96 N4 P4 -","4","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","1.54178","CuKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.037","","","","has coordinates","222940","2020-10-21","18:00:00",""
"4034410","9.7187","0.0009","5.5986","0.0005","23.953","0.003","90","","99.621","0.011","90","","1285","0.2","199.96","0.1","199.96","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br O4 -","- C13 H15 Br O4 -","- C52 H60 Br4 O16 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","0.71073","MoKα","","0.0769","0.0472","","","0.09","0.1019","","","","","","1.067","","","","has coordinates","222941","2020-10-21","18:00:00",""
"4034411","9.069","0.002","9.761","0.003","9.779","0.003","90","","108.224","0.003","90","","822.2","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","0.71073","MoKα","","0.0354","0.034","","","0.0788","0.0803","","","","","","1.052","","","","has coordinates","222942","2020-10-21","18:00:00",""
"4034412","7.39581","0.00012","9.46599","0.00017","13.8475","0.0002","90","","90","","90","","969.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0313","0.0312","","","0.0809","0.0811","","","","","","1.132","","","","has coordinates","222943","2020-10-21","18:00:00",""
"4034413","8.0054","0.0001","7.7314","0.0001","8.6884","0.0001","90","","95.249","0.001","90","","535.496","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.027","0.0269","","","0.0674","0.0675","","","","","","1.103","","","","has coordinates","222944","2020-10-21","18:00:00",""
"4034414","10.3937","0.0002","18.5331","0.0003","38.2687","0.0006","90","","90","","90","","7371.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H55 N O2.5 P -","- C40 H55 N O2.5 P -","- C320 H440 N8 O20 P8 -","8","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0513","0.048","","","0.1306","0.1335","","","","","","1.064","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034415","8.3691","0.0002","9.9458","0.0002","22.7743","0.0005","90","","90","","90","","1895.67","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O2 P -","- C24 H22 N O2 P -","- C96 H88 N4 O8 P4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0569","0.0498","","","0.1104","0.1182","","","","","","1.007","","","","has coordinates","222946","2020-10-21","18:00:00",""
"4034416","16.4812","0.0002","16.4812","0.0002","16.0775","0.0003","90","","90","","90","","4367.13","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C192 H240 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0278","0.0272","","0.0696","0.0689","0.0696","","","","","","1.0029","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034417","16.4674","0.0002","16.4674","0.0002","15.659","0.0004","90","","90","","90","","4246.33","0.13","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C184 H224 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0284","0.0277","","0.0713","0.0706","0.0713","","","","","","1.0023","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034418","16.3993","0.0002","16.3993","0.0002","15.9819","0.0003","90","","90","","90","","4298.12","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C184 H224 N16 O48 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0292","0.0287","","0.0806","0.0799","0.0806","","","","","","1.0153","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034419","9.0534","0.0001","11.9701","0.0002","22.0969","0.0003","90","","90","","90","","2394.64","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0329","0.0313","","0.0821","0.0805","0.0821","","","","","","0.9952","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034421","7.1712","0.0008","8.3963","0.0009","29.02","0.003","90","","90","","90","","1747.3","0.3","128","2","128","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 1","","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C72 H64 O24 S8 -","8","2","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0486","0.0398","","","0.106","0.1136","","","","","","1.08","","","","has coordinates","222948","2020-10-21","18:00:00",""
"4034422","8.383","0.007","9.251","0.008","13.884","0.013","90.71","0.03","107.221","0.019","101.633","0.019","1004.3","1.5","102","2","102","2","","","","","","","","4","P -1","-P 1","2","C18H16O6S2","","","- C20 H22 O7 S3 -","- C20 H22 O7 S3 -","- C40 H44 O14 S6 -","2","1","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0811","0.0479","","","0.0966","0.1079","","","","","","1.123","","","","has coordinates","222949","2020-10-21","18:00:00",""
"4034423","8.5494","0.0004","10.8559","0.0005","9.9111","0.0005","90","","95.013","0.002","90","","916.34","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C9H7O2SBr","","","- C9 H7 Br O2 S -","- C9 H7 Br O2 S -","- C36 H28 Br4 O8 S4 -","4","1","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.024","0.0221","","","0.0569","0.0577","","","","","","1.073","","","","has coordinates","222950","2020-10-21","18:00:00",""
"4034424","18.3651","0.0007","11.6589","0.0004","17.9089","0.0007","90","","118.612","0.001","90","","3366.3","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Crystal-2","","","- C18 H16 O6 S2 -","- C18 H16 O6 S2 -","- C144 H128 O48 S16 -","8","2","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0486","0.0403","","","0.1079","0.1145","","","","","","1.036","","","","has coordinates","222951","2020-10-21","18:00:00",""
"4034425","14.1638","0.0003","14.8141","0.0003","7.77","0.0002","90","","90","","90","","1630.33","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H25 N O3 S -","- C15 H25 N O3 S -","- C60 H100 N4 O12 S4 -","4","1","","Kralt, Braden; Moreira, Ryan; Palmer, Michael; Taylor, Scott D.","Total Synthesis of A54145 Factor D.","The Journal of organic chemistry","2019","84","18","12021","12030","10.1021/acs.joc.9b01938","","","0.71073","MoKα","","0.0334","0.0306","","","0.0769","0.0785","","","","","","1.215","","","","has coordinates","222952","2020-10-21","18:00:00",""
"4034426","32.134","0.004","10.0646","0.0011","17.425","0.002","90","","122.84","","90","","4734.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N2 O -","- C31 H30 N2 O -","- C248 H240 N16 O8 -","8","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thirumoorthy, Krishnan; Natesan Sundaramurthy, Karthikeyan; Sathiyanarayanan, Kulathu Iyer","(Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)phenol as a Fluorescent Probe for the Detection of Aniline.","The Journal of organic chemistry","2019","84","18","11513","11523","10.1021/acs.joc.9b00709","","","0.71073","MoKα","","0.1356","0.0462","","","0.1034","0.145","","","","","","0.85","","","","has coordinates","222953","2020-10-21","18:00:00",""
"4034427","10.06","0.005","12.876","0.005","15.353","0.005","90","0.005","101.971","0.005","90","0.005","1945.5","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thirumoorthy, Krishnan; Natesan Sundaramurthy, Karthikeyan; Sathiyanarayanan, Kulathu Iyer","(Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)phenol as a Fluorescent Probe for the Detection of Aniline.","The Journal of organic chemistry","2019","84","18","11513","11523","10.1021/acs.joc.9b00709","","","0.71073","MoKα","","0.0944","0.0511","","","0.1314","0.1608","","","","","","0.961","","","","has coordinates","222954","2020-10-21","18:00:00",""
"4034428","9.5058","0.0007","9.7689","0.0006","10.3324","0.0006","98.427","0.005","105.26","0.006","99.585","0.006","894.26","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C38 H38 N2 O12 S2 -","2","1","","Chen, Shuqi; Yao, Yongqi; Yang, Wen; Lin, Qifu; Wang, Lin; Li, Huanyong; Chen, Donghan; Tan, Yun; Yang, Dingqiao","Three-Component Cycloaddition To Synthesize Aziridines and 1,2,3-Triazolines.","The Journal of organic chemistry","2019","84","18","11863","11872","10.1021/acs.joc.9b01713","","x-ray","1.54184","CuKα","","0.0404","0.0375","","","0.1023","0.1057","","","","","","1.0869","","","","has coordinates","222955","2020-10-21","18:00:00",""
"4034429","9.2602","0.0009","9.6004","0.0009","11.0248","0.0008","67.889","0.008","81.813","0.008","89.11","0.008","898.01","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C38 H38 N2 O12 S2 -","2","1","","Chen, Shuqi; Yao, Yongqi; Yang, Wen; Lin, Qifu; Wang, Lin; Li, Huanyong; Chen, Donghan; Tan, Yun; Yang, Dingqiao","Three-Component Cycloaddition To Synthesize Aziridines and 1,2,3-Triazolines.","The Journal of organic chemistry","2019","84","18","11863","11872","10.1021/acs.joc.9b01713","","x-ray","0.71073","MoKα","","0.0739","0.0519","","","0.1177","0.1378","","","","","","1.0707","","","","has coordinates","222956","2020-10-21","18:00:00",""
"4034430","10.66","0.0012","8.2642","0.0009","16.2137","0.0017","90","","96.03","0.003","90","","1420.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.046","0.0389","","","0.0986","0.103","","","","","","1.073","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034431","8.203","0.002","21.807","0.007","10.328","0.003","90","","105.567","0.011","90","","1779.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C92 H80 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1267","0.0663","","","0.1506","0.1826","","","","","","1.031","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034432","20.246","0.002","4.8365","0.0005","31.055","0.003","90","","90.496","0.003","90","","3040.8","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 O4 -","- C17 H14 Cl2 O4 -","- C136 H112 Cl16 O32 -","8","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0348","0.0304","","","0.0714","0.0738","","","","","","1.052","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034433","11.8572","0.0004","21.4415","0.0007","7.3083","0.0003","90","","107.84","0.002","90","","1768.69","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0457","0.0359","","","0.0864","0.0916","","","","","","1.047","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034434","12.6139","0.0009","14.2691","0.001","9.0436","0.0007","90","","104.041","0.001","90","","1579.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1402","0.0433","","","0.0906","0.1211","","","","","","0.958","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034435","8.2452","0.0003","7.9051","0.0003","27.3274","0.001","90","","90.186","0.001","90","","1781.17","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0444","0.0354","","","0.0871","0.0924","","","","","","1.032","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034436","9.7914","0.0003","11.0553","0.0004","14.4153","0.0005","90","","105.144","0.001","90","","1506.22","0.09","99","2","99","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0386","0.0336","","","0.0864","0.09","","","","","","1.056","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034437","16.044","0.0014","11.1195","0.0009","10.6719","0.0008","90","","93.585","0.003","90","","1900.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0585","0.0431","","","0.097","0.1043","","","","","","1.034","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034438","11.4341","0.0007","12.3823","0.0008","13.3138","0.0007","78.593","0.003","84.868","0.003","87.793","0.003","1839.91","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","2","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0641","0.0556","","","0.1585","0.1691","","","","","","1.068","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034439","16.1741","0.0016","8.5137","0.0008","28.773","0.003","90","","97.242","0.003","90","","3930.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 O10 -","- C46 H52 O10 -","- C184 H208 O40 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1227","0.0635","","","0.127","0.1502","","","","","","1.036","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034440","11.3081","0.0003","10.6674","0.0003","13.9179","0.0004","90","","101.426","0.003","90","","1645.62","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-benzyl-3-vinyl-1,4-diazaspiro[5.5]undecane-2,5-dione","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","2","","Faltracco, Matteo; Cotogno, Silvia; Vande Velde, Christophe M. L.; Ruijter, Eelco","Catalytic Asymmetric Synthesis of Diketopiperazines by Intramolecular Tsuji-Trost Allylation.","The Journal of organic chemistry","2019","84","18","12058","12070","10.1021/acs.joc.9b01994","","x-ray","1.54184","CuKα","","0.064","0.0478","","","0.1064","0.118","","","","","","1.015","","","","has coordinates","222958","2020-10-21","18:00:00",""
"4034441","15.48","0.005","11.486","0.004","23.094","0.008","90","","90","","90","","4106","2","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C200 H144 F24 N24 O8 -","8","1","","Li, Kun; Chen, Li; Fan, Yun-Xiang; Wei, Yao; Yan, Sheng-Jiao","Multicomponent Tether Catalysis Synthesis of Highly Functionalized 4-(Pyridin-2-ylmethyl)-2-aminopyrroles via Cascade Reaction Is Accompanied by Decarboxylation.","The Journal of organic chemistry","2019","84","18","11971","11982","10.1021/acs.joc.9b01814","","","0.71073","MoKα","","0.203","0.0657","","","0.1057","0.1532","","","","","","0.997","","","","has coordinates,has disorder","222959","2020-10-21","18:00:00",""
"4034442","12.4847","0.0006","7.9336","0.0004","13.1642","0.0006","90","","115.119","0.002","90","","1180.58","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 O2 S -","- C12 H9 Cl N2 O2 S -","- C48 H36 Cl4 N8 O8 S4 -","4","1","","Padmaja, Ramsingh Dhanbahadur; Balamurali, Musuvathi Motilal; Chanda, Kaushik","One-Pot, Telescopic Approach for the Chemoselective Synthesis of Substituted Benzo[<i>e</i>]pyrido/pyrazino/pyridazino[1,2-<i>b</i>][1,2,4]thiadiazine dioxides and Their Significance in Biological Systems †.","The Journal of organic chemistry","2019","84","18","11382","11390","10.1021/acs.joc.9b00869","","","0.71073","MoKα","","0.0439","0.0389","","","0.1055","0.1108","","","","","","1.104","","","","has coordinates","222960","2020-10-21","18:00:00",""
"4034443","31.797","0.0017","11.539","0.001","19.088","0.0018","90","","94.402","0.008","90","","6982.8","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C320 H448 O24 -","4","1","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0585","0.0535","","","0.1418","0.146","","","","","","1.017","","","","has coordinates,has disorder","222961","2020-10-21","18:00:00",""
"4034444","13.341","0.006","16.117","0.004","17.567","0.006","90","","108.21","0.02","90","","3588","2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C160 H224 O12 -","2","0.5","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0642","0.05","","","0.1314","0.1427","","","","","","1.049","","","","has coordinates","222962","2020-10-21","18:00:00",""
"4034445","8.2196","0.0004","10.7227","0.0006","11.3119","0.0005","66.681","0.005","87.343","0.004","71.985","0.005","867.36","0.09","129.99","","129.99","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","1.54184","CuKα","","0.0517","0.0423","","","0.1088","0.1132","","","","","","1.0553","","","","has coordinates","222963","2020-10-21","18:00:00",""
"4034446","10.6738","0.0009","6.1061","0.0004","27.463","0.003","90","","95.812","0.008","90","","1780.7","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","0.71073","MoKα","","0.0627","0.0465","","","0.0941","0.1017","","","","","","1.051","","","","has coordinates","222964","2020-10-21","18:00:00",""
"4034447","12.6492","0.0004","8.7038","0.0004","14.8276","0.0007","90","","104.369","0.004","90","","1581.39","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","1.54184","CuKα","","0.0479","0.0405","","","0.1077","0.1144","","","","","","1.0359","","","","has coordinates","222965","2020-10-21","18:00:00",""
"4034448","12.4419","0.0003","5.90535","0.00012","15.1818","0.0011","90","","100.222","0.007","90","","1097.76","0.09","93.1","","93.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 O3 -","- C12 H9 F3 O3 -","- C48 H36 F12 O12 -","4","1","","Zhang, Tianyuan; Shimizu, Yuhei; Fukaya, Shuhei; Sawa, Tomofumi; Maekawa, Hirofumi","Construction of a CF<sub>3</sub>-Containing Benzofurofuranone Skeleton from Coumarins via Reductive Coupling and Acid-Mediated Ring Contraction.","The Journal of organic chemistry","2019","84","18","12165","12171","10.1021/acs.joc.9b01439","","","1.54187","CuKα","","","0.0466","","","","0.1321","","","","","","1.068","","","","has coordinates","222966","2020-10-21","18:00:00",""
"4034449","5.6471","0.0002","14.5583","0.0004","13.5116","0.0004","90","","98.2257","0.0007","90","","1099.39","0.06","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br N3 O2 -","- C25 H26 Br N3 O2 -","- C50 H52 Br2 N6 O4 -","2","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0305","0.0303","","","0.0801","0.0805","","","","","","1.058","","","","has coordinates","222967","2020-10-21","18:00:00",""
"4034450","8.8126","0.0002","14.1981","0.0003","18.1609","0.0004","90","","90","","90","","2272.33","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0307","0.0297","","","0.0782","0.0792","","","","","","1.031","","","","has coordinates,has disorder","222968","2020-10-21","18:00:00",""
"4034451","7.7296","0.0005","9.4178","0.0006","11.3595","0.0007","95.41","0.004","107.142","0.004","108.192","0.004","734.72","0.09","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","","0.71073","MoKα","","0.0871","0.0544","","","0.1591","0.182","","","","","","1.054","","","","has coordinates","222969","2020-10-21","18:00:00",""
"4034452","8.9313","0.0018","9.6546","0.0017","13.094","0.002","90","","96.289","0.018","90","","1122.3","0.3","197","130","197","130","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.1169","0.0833","","","0.2027","0.248","","","","","","1.158","","","","has coordinates","222970","2020-10-21","18:00:00",""
"4034453","7.0898","0.0004","9.8867","0.0004","14.0714","0.0007","90","","99.057","0.005","90","","974.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0784","0.0599","","","0.15","0.1597","","","","","","1.139","","","","has coordinates","222971","2020-10-21","18:00:00",""
"4034454","7.1948","0.0003","13.3348","0.0005","9.1745","0.0003","90","","107.609","0.004","90","","838.97","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 -","- C10 H5 N5 -","- C40 H20 N20 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.134","0.1397","","","","","","1.116","","","","has coordinates","222972","2020-10-21","18:00:00",""
"4034455","8.8591","0.0004","12.2957","0.0004","9.3813","0.0004","90","","104.579","0.005","90","","988.99","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0489","0.0433","","","0.1198","0.1246","","","","","","1.137","","","","has coordinates","222973","2020-10-21","18:00:00",""
"4034456","6.7285","0.0017","6.8933","0.0014","9.436","0.0016","96.507","0.016","104.492","0.019","98.12","0.019","414.41","0.16","114","20","114","20","","","","","","","","3","P -1","-P 1","2","","","","- C10 H7 N3 -","- C10 H7 N3 -","- C20 H14 N6 -","2","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.1049","0.0812","","","0.2168","0.2483","","","","","","1.069","","","","has coordinates","222974","2020-10-21","18:00:00",""
"4034457","17.0502","0.0008","12.2438","0.0006","16.2974","0.0008","90","","116.408","0.002","90","","3047.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Cl N2 Pd -","- C34 H41 Cl N2 Pd -","- C136 H164 Cl4 N8 Pd4 -","4","1","","Reeves, Emily K.; Humke, Jenna N.; Neufeldt, Sharon R.","N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling.","The Journal of organic chemistry","2019","84","18","11799","11812","10.1021/acs.joc.9b01692","","x-ray","0.71073","MoKα","","0.0415","0.0281","","","0.0636","0.0686","","","","","","1.06","","","","has coordinates","222975","2020-10-21","18:00:00",""
"4034458","15.3184","0.0012","16.1014","0.0011","17.6466","0.0013","90","","105.951","0.003","90","","4184.9","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 Cl N2 Pd -","- C40 H53 Cl N2 Pd -","- C160 H212 Cl4 N8 Pd4 -","4","1","","Reeves, Emily K.; Humke, Jenna N.; Neufeldt, Sharon R.","N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling.","The Journal of organic chemistry","2019","84","18","11799","11812","10.1021/acs.joc.9b01692","","x-ray","0.71073","MoKα","","0.0399","0.0272","","","0.0647","0.0707","","","","","","1.038","","","","has coordinates","222976","2020-10-21","18:00:00",""
"4034459","11.1195","0.0006","18.96","0.0009","19.2929","0.001","117.806","0.003","90.313","0.003","91.209","0.003","3596.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H18 F3 N3 O -","- C23 H18 F3 N3 O -","- C161 H126 F21 N21 O7 -","7","7","","Kriegelstein, Michal; Profous, David; Lyčka, Antonín; Trávníček, Zdeněk; Přibylka, Adam; Volná, Tereza; Benická, Sandra; Cankař, Petr","Axially Chiral Trifluoromethylbenzimidazolylbenzoic Acid: A Chiral Derivatizing Agent for α-Chiral Primary Amines and Secondary Alcohols To Determine the Absolute Configuration.","The Journal of organic chemistry","2019","84","18","11911","11921","10.1021/acs.joc.9b01770","","","0.71073","MoKα","","0.1416","0.0651","","","0.0952","0.111","","","","","","0.951","","","","has coordinates,has disorder","222977","2020-10-21","18:00:00",""
"4034460","8.5425","0.0017","11.979","0.002","17.812","0.004","90","","90","","90","","1822.7","0.6","163","2","163.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br F N2 O2 -","- C22 H16 Br F N2 O2 -","- C88 H64 Br4 F4 N8 O8 -","4","1","","Li, Bing-Yu; Lin, Ye; Du, Da-Ming","Organocatalytic Asymmetric Mannich Addition of 3-Fluorooxindoles to Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepines: Highly Enantioselective Construction of Tetrasubstituted C-F Stereocenters.","The Journal of organic chemistry","2019","84","18","11752","11762","10.1021/acs.joc.9b01507","","","0.71073","MoKα","","0.0457","0.043","","","0.0948","0.0967","","","","","","1.06","","","","has coordinates","222978","2020-10-21","18:00:00",""
"4034461","19.343","0.003","9.986","0.0009","12.0587","0.0013","90","","108.317","0.008","90","","2211.2","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.1159","0.0539","","","0.1394","0.1732","","","","","","1.034","","","","has coordinates","222979","2020-10-21","18:00:00",""
"4034462","16.9833","0.0006","6.3684","0.0003","19.2501","0.0005","90","","90","","90","","2082.02","0.13","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.0444","0.035","","","0.0918","0.0975","","","","","","1.048","","","","has coordinates","222980","2020-10-21","18:00:00",""
"4034463","7.8798","0.0007","11.5501","0.0008","21.2513","0.0019","90","","100.393","0.008","90","","1902.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","","Wang, Qian; Osipyan, Angelina; Konstantinidou, Markella; Butera, Roberto; Mgimpatsang, Kumchok C.; Shishkina, Svitlana V.; Dömling, Alexander","Pd-Catalyzed de Novo Assembly of Diversely Substituted Indole-Fused Polyheterocycles.","The Journal of organic chemistry","2019","84","18","12148","12156","10.1021/acs.joc.9b01258","","","0.71073","MoKα","","0.1459","0.0642","","","0.157","0.1954","","","","","","0.87","","","","has coordinates","222981","2020-10-21","18:00:00",""
"4034464","12.5401","0.0015","11.523","0.0017","13.5777","0.0018","90","","96.662","0.01","90","","1948.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl N3 O2 -","- C21 H20 Cl N3 O2 -","- C84 H80 Cl4 N12 O8 -","4","1","","Wang, Qian; Osipyan, Angelina; Konstantinidou, Markella; Butera, Roberto; Mgimpatsang, Kumchok C.; Shishkina, Svitlana V.; Dömling, Alexander","Pd-Catalyzed de Novo Assembly of Diversely Substituted Indole-Fused Polyheterocycles.","The Journal of organic chemistry","2019","84","18","12148","12156","10.1021/acs.joc.9b01258","","","0.71073","MoKα","","0.1518","0.0647","","","0.1465","0.1823","","","","","","0.872","","","","has coordinates","222982","2020-10-21","18:00:00",""
"4034465","9.4352","0.001","8.4152","0.0009","14.7368","0.0017","90","","97.276","0.011","90","","1160.7","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","","Martin, Daniel J.; Mercado, Brandon Q.; Mayer, James M.","Synthesis and Prior Misidentification of 4-<i>tert</i>-Butyl-2,6-dinitrobenzaldehyde.","The Journal of organic chemistry","2019","84","18","12172","12176","10.1021/acs.joc.9b01737","","","0.71073","MoKα","","0.0629","0.0532","","","0.1443","0.1497","","","","","","1.03","","","","has coordinates","222983","2020-10-21","18:00:00",""
"4034466","18.7889","0.0011","10.5423","0.0006","11.6936","0.0007","90","","91.857","0.005","90","","2315","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C88 H96 N16 O40 -","8","2","","Martin, Daniel J.; Mercado, Brandon Q.; Mayer, James M.","Synthesis and Prior Misidentification of 4-<i>tert</i>-Butyl-2,6-dinitrobenzaldehyde.","The Journal of organic chemistry","2019","84","18","12172","12176","10.1021/acs.joc.9b01737","","","0.71073","MoKα","","0.0724","0.0484","","","0.1078","0.1204","","","","","","1.045","","","","has coordinates","222984","2020-10-21","18:00:00",""
"4034467","12.8015","0.0001","8.1119","0.0001","15.1341","0.0001","90","","108.066","0.001","90","","1494.11","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","2","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0298","0.0287","","","0.0745","0.0754","","","","","","1.037","","","","has coordinates","222985","2020-10-21","18:00:00",""
"4034468","10.566","0.0002","17.6181","0.0004","17.1644","0.0004","90","","99.086","0.002","90","","3155.11","0.12","100","0.13","100","0.13","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0615","0.0579","","","0.164","0.1679","","","","","","1.052","","","","has coordinates,has disorder","222986","2020-10-21","18:00:00",""
"4034469","10.0534","0.0002","16.7674","0.0003","18.6721","0.0003","90","","90","","90","","3147.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O5 -","- C36 H35 N3 O5 -","- C144 H140 N12 O20 -","4","1","","Fan, Ying; Lu, Jian; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Cu(I)-Catalyzed Asymmetric Mannich Reaction of Glycine Schiff Bases to Ketimines.","The Journal of organic chemistry","2019","84","18","11639","11648","10.1021/acs.joc.9b01566","","","1.54178","CuKα","","0.0378","0.0354","","","0.0958","0.0986","","","","","","1.023","","","","has coordinates","222987","2020-10-21","18:00:00",""
"4034470","9.6255","0.0004","11.1263","0.0005","17.2047","0.0008","106.863","0.002","98.061","0.002","93.61","0.002","1735.43","0.14","170","2","170.01","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cl3 F N3 O5 S2 -","- C34 H31 Cl3 F N3 O5 S2 -","- C68 H62 Cl6 F2 N6 O10 S4 -","2","1","","Chen, Changwei; Cui, Sunliang","Iterative Assembly of Nitrile Oxides and Ynamides: Synthesis of Isoxazoles and Pyrroles.","The Journal of organic chemistry","2019","84","18","12157","12164","10.1021/acs.joc.9b01430","","","0.71073","MoKα","","0.0587","0.0493","","","0.1327","0.1402","","","","","","1.045","","","","has coordinates","222988","2020-10-21","18:00:00",""
"4034471","30.2123","0.0009","6.9861","0.0002","16.6208","0.0004","90","","97.425","0.001","90","","3478.67","0.17","170","2","169.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F3 N2 O3 S -","- C18 H15 F3 N2 O3 S -","- C144 H120 F24 N16 O24 S8 -","8","1","","Chen, Changwei; Cui, Sunliang","Iterative Assembly of Nitrile Oxides and Ynamides: Synthesis of Isoxazoles and Pyrroles.","The Journal of organic chemistry","2019","84","18","12157","12164","10.1021/acs.joc.9b01430","","","0.71073","MoKα","","0.0683","0.0509","","","0.1375","0.1538","","","","","","1.03","","","","has coordinates","222989","2020-10-21","18:00:00",""
"4034472","9.1946","0.0002","13.3206","0.0004","15.4255","0.0004","85.066","0.001","83.434","0.001","76.486","0.001","1821.48","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","2","","Liu, Zhongsu; Zhang, Wenjing; Guo, Shan; Zhu, Jin","Spiro[indene-1,4'-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3<i>H</i>)-ones with Alkynes: A Redox-Neutral Approach.","The Journal of organic chemistry","2019","84","18","11945","11957","10.1021/acs.joc.9b01804","","","1.54178","CuKα","","0.039","0.0357","","","0.0923","0.0945","","","","","","1.034","","","","has coordinates","222990","2020-10-21","18:00:00",""
"4034473","8.7578","0.0009","9.4458","0.0014","10.0094","0.0013","86.145","0.016","86.215","0.01","68.042","0.009","765.47","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Liu, Zhongsu; Zhang, Wenjing; Guo, Shan; Zhu, Jin","Spiro[indene-1,4'-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3<i>H</i>)-ones with Alkynes: A Redox-Neutral Approach.","The Journal of organic chemistry","2019","84","18","11945","11957","10.1021/acs.joc.9b01804","","","1.54178","CuKα","","0.0367","0.0354","","","0.0966","0.098","","","","","","1.044","","","","has coordinates","222991","2020-10-21","18:00:00",""
"4034474","12.0497","0.0017","14.261","0.002","15.114","0.002","90","","100.99","0.003","90","","2549.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 O4 S -","- C30 H32 O4 S -","- C120 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0544","0.0388","","","0.09","0.0985","","","","","","1.03","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034475","14.241","0.002","11.0536","0.0015","15.619","0.002","90","","96.543","0.004","90","","2442.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 F O4 S -","- C30 H25 F O4 S -","- C120 H100 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.1087","0.0676","","","0.1558","0.1785","","","","","","1.048","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034476","11.8975","0.0005","14.838","0.0007","14.1035","0.0007","90","","94.87","0.001","90","","2480.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O4 S -","- C29 H30 O4 S -","- C116 H120 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0525","0.0405","","","0.0982","0.106","","","","","","1.032","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034477","10.3709","0.0018","11.198","0.0017","12.307","0.002","112.885","0.006","92.332","0.007","106.31","0.006","1245.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 O5 S -","- C30 H32 O5 S -","- C60 H64 O10 S2 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0464","0.0366","","","0.0975","0.11","","","","","","1.123","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034478","14.6355","0.0018","8.323","0.001","17.421","0.002","90","","98.637","0.003","90","","2098","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C96 H84 N4 O24 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0519","0.0426","","","0.1076","0.1143","","","","","","1.025","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034479","11.9401","0.0005","11.1292","0.0005","17.5921","0.0007","90","","102.577","0.002","90","","2281.61","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O5 S -","- C25 H26 O5 S -","- C100 H104 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0642","0.0513","","","0.1444","0.1558","","","","","","1.039","","","","has coordinates,has disorder","222992","2020-10-21","18:00:00",""
"4034480","7.1922","0.0006","8.1888","0.0007","17.2964","0.0015","82.23","0.004","87.95","0.005","87.46","0.004","1007.88","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O2 S -","- C26 H22 O2 S -","- C52 H44 O4 S2 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0896","0.0491","","","0.1279","0.1604","","","","","","1.002","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034481","10.4333","0.0007","8.3721","0.0005","20.905","0.0012","90","","96.602","0.003","90","","1813.91","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br O2 S -","- C22 H19 Br O2 S -","- C88 H76 Br4 O8 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0277","0.0249","","","0.0598","0.0609","","","","","","1.043","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034482","17.258","0.003","11.1864","0.0019","17.603","0.003","90","","96.353","0.004","90","","3377.5","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O2 S2 -","- C20 H18 O2 S2 -","- C160 H144 O16 S16 -","8","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0713","0.0614","","","0.1243","0.1309","","","","","","1.098","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034483","10.2968","0.0004","20.9708","0.001","14.9988","0.0007","90","","98.936","0.002","90","","3199.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 O5 S -","- C37 H42 O5 S -","- C148 H168 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0603","0.0433","","","0.1035","0.1142","","","","","","1.027","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034484","14.5709","0.0016","8.0748","0.0008","18.602","0.002","90","","91.042","0.005","90","","2188.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O3 S -","- C28 H22 O3 S -","- C112 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0575","0.0413","","","0.1173","0.1514","","","","","","1.168","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034485","10.8179","0.001","10.4282","0.001","16.7152","0.0016","90","","90.935","0.003","90","","1885.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C88 H84 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0546","0.0382","","","0.0862","0.0943","","","","","","1.027","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034486","12.5407","0.0014","5.3966","0.0006","25.05","0.003","90","","93.281","0.003","90","","1692.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0542","0.0387","","","0.0895","0.097","","","","","","1.044","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034487","17.2366","0.0003","7.2333","0.0001","41.0092","0.0008","90","","95.052","0.002","90","","5093.06","0.15","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 S -","- C34 H32 S -","- C272 H256 S8 -","8","2","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0817","0.0736","","","0.193","0.1957","","","","","","1.007","","","","has coordinates","222993","2020-10-21","18:00:00",""
"4034488","14.4446","0.0002","16.2063","0.0002","21.8323","0.0003","90","","90","","90","","5110.8","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 O S -","- C34 H32 O S -","- C272 H256 O8 S8 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0688","0.0666","","","0.1624","0.1637","","","","","","1.058","","","","has coordinates,has disorder","222994","2020-10-21","18:00:00",""
"4034489","10.1994","0.0004","13.3386","0.0005","19.921","0.0007","90","","96.989","0.003","90","","2690.03","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 N -","- C36 H37 N -","- C144 H148 N4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0485","0.0446","","","0.1255","0.1299","","","","","","0.951","","","","has coordinates","222995","2020-10-21","18:00:00",""
"4034490","7.1863","0.0002","21.7963","0.0007","17.2689","0.0004","90","","101.827","0.002","90","","2647.49","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O2 S -","- C34 H32 O2 S -","- C136 H128 O8 S4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","0.71073","MoKα","","0.0645","0.0428","","","0.096","0.1044","","","","","","0.974","","","","has coordinates","222996","2020-10-21","18:00:00",""
"4034491","11.391","0.002","5.7875","0.0009","24.004","0.004","90","","93.919","0.014","90","","1578.8","0.5","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,3-triphenylpropan-1-one","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Alanthadka, Anitha; Bera, Sourajit; Banerjee, Debasis","Iron-Catalyzed Ligand Free α-Alkylation of Methylene Ketones and β-Alkylation of Secondary Alcohols Using Primary Alcohols.","The Journal of organic chemistry","2019","84","18","11676","11686","10.1021/acs.joc.9b01600","","","0.71073","MoKα","","0.1181","0.0544","","","0.1528","0.1873","","","","","","0.855","","","","has coordinates","222997","2020-10-21","18:00:00",""
"4034492","7.1925","0.0001","19.211","0.0005","20.7806","0.0005","90","","90","","90","","2871.36","0.11","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O5 S -","- C34 H30 N2 O5 S -","- C136 H120 N8 O20 S4 -","4","1","","He, Chonglong; Li, Zhanhuan; Xu, Jianfeng; Ren, Hongjun","Asymmetric Synthesis of Spirocyclic Oxindole δ-Lactams via NHC-Catalyzed Formal [2+4] Annulation of Aliphatic Aldehydes with Oxindole-Derived α,β-Unsaturated Ketimines.","The Journal of organic chemistry","2019","84","18","12177","12186","10.1021/acs.joc.9b01760","","","0.71073","MoKα","","0.0476","0.039","","","0.091","0.0979","","","","","","1.039","","","","has coordinates","222998","2020-10-21","18:00:00",""
"4034493","14.0384","0.00008","18.16861","0.00008","19.8336","0.00007","91.8589","0.0003","110.33","0.0004","98.7848","0.0004","4667.96","0.04","120.01","0.11","120.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C77 H82 Cl6 O6 S24 -","- C77 H82 Cl6 O6 S24 -","- C154 H164 Cl12 O12 S48 -","2","1","","Li, Yingchun; Zhai, Weixiang; Liao, Yongfang; Nie, Jiangping; Han, Guifang; Song, Yuguang; Li, Shaoyong; Hou, Jingli; Liu, Yangping","Synthesis of Central Chirality-Containing Triarylmethanols and Triarylmethyl Radicals with Extraordinarily Stable Configurations.","The Journal of organic chemistry","2019","84","18","11774","11782","10.1021/acs.joc.9b01675","","x-ray","1.54184","CuKα","","0.0474","0.0461","","","0.1176","0.1184","","","","","","1.036","","","","has coordinates","222999","2020-10-21","18:00:00",""
"4034494","11.186","0.0008","11.4071","0.0001","13.4875","0.0011","66.629","0.013","86.938","0.018","62.124","0.011","1377.9","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O2 S4 -","- C12 H14 O2 S4 -","- C48 H56 O8 S16 -","4","2","","Li, Yingchun; Zhai, Weixiang; Liao, Yongfang; Nie, Jiangping; Han, Guifang; Song, Yuguang; Li, Shaoyong; Hou, Jingli; Liu, Yangping","Synthesis of Central Chirality-Containing Triarylmethanols and Triarylmethyl Radicals with Extraordinarily Stable Configurations.","The Journal of organic chemistry","2019","84","18","11774","11782","10.1021/acs.joc.9b01675","","","0.71073","MoKα","","0.0214","0.0198","","","0.0553","0.056","","","","","","1.05","","","","has coordinates","223000","2020-10-21","18:00:00",""
"4034495","11.0192","0.0002","10.5869","0.0002","17.8709","0.0004","90","","100.006","0.0009","90","","2053.09","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl N O3 -","- C23 H22 Cl N O3 -","- C92 H88 Cl4 N4 O12 -","4","1","","Kadiyala, Veerabhushanam; Bharath Kumar, Perla; Balasubramanian, Sridhar; Karunakar, Galla V.","Gold-Catalyzed Synthesis of 6-Hydroxyindoles from Alkynylcyclohexadienones and Substituted Amines.","The Journal of organic chemistry","2019","84","18","12228","12236","10.1021/acs.joc.9b02023","","","0.71073","MoKα","","0.0857","0.056","","","0.1317","0.1491","","","","","","1.032","","","","has coordinates,has disorder","223001","2020-10-21","18:00:00",""
"4034496","9.888","0.0018","11.0785","0.0016","11.369","0.002","62.976","0.016","83.635","0.015","76.644","0.014","1079.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C54 H58 N6 -","2","1","","An, Xiao-De; Duan, Kang; Li, Xian-Jiang; Yang, Jian-Ming; Lu, Yong-Na; Liu, Qing; Xiao, Jian","Synthesis of Tetrahydro[1,3,4]triazepines via Redox-Neutral α-C(sp<sup>3</sup>)-H Amination of Cyclic Amines.","The Journal of organic chemistry","2019","84","18","11839","11847","10.1021/acs.joc.9b01703","","","1.54184","CuKα","","0.0697","0.0501","","","0.1275","0.145","","","","","","1.025","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034497","9.3516","0.0008","13.4322","0.0012","16.9369","0.0013","90","","92.215","0.008","90","","2125.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N3 -","- C23 H23 N3 -","- C92 H92 N12 -","4","1","","An, Xiao-De; Duan, Kang; Li, Xian-Jiang; Yang, Jian-Ming; Lu, Yong-Na; Liu, Qing; Xiao, Jian","Synthesis of Tetrahydro[1,3,4]triazepines via Redox-Neutral α-C(sp<sup>3</sup>)-H Amination of Cyclic Amines.","The Journal of organic chemistry","2019","84","18","11839","11847","10.1021/acs.joc.9b01703","","","1.54184","CuKα","","0.097","0.0537","","","0.166","0.2399","","","","","","0.716","","","","has coordinates","223003","2020-10-21","18:00:00",""
"4034498","10.434","0.0006","14.33","0.0008","13.3476","0.0007","90","","102.277","0.002","90","","1950.08","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N O P -","- C24 H22 N O P -","- C96 H88 N4 O4 P4 -","4","2","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0567","0.0367","","","0.0686","0.0748","","","","","","1.005","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034499","11.4607","0.0002","11.4607","0.0002","12.8304","0.0003","90","","90","","90","","1685.24","0.06","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H18 N O P S -","- C18 H18 N O P S -","- C72 H72 N4 O4 P4 S4 -","4","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","1.54178","CuKα","","0.0284","0.0263","","","0.0661","0.0676","","","","","","1.044","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034500","8.0431","0.0005","10.1175","0.0006","8.8692","0.0006","90","","105.061","0.002","90","","696.95","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0359","0.0303","","","0.0656","0.0683","","","","","","1.056","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034501","7.362","0.002","8.473","0.003","18.02","0.007","101.258","0.012","98.436","0.01","91.151","0.011","1089.1","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C48 H50 N2 O14 -","2","1","","Kumar, Virendra; Awasthi, Annapurna; Metya, Abhisek; Khan, Tabrez","A Metal-Free Domino Process for Regioselective Synthesis of 1,2,4-Trisubstituted Pyrroles: Application toward the Formal Synthesis of Ningalin B.","The Journal of organic chemistry","2019","84","18","11581","11595","10.1021/acs.joc.9b01520","","","0.71073","MoKα","","0.2543","0.0745","","","0.1491","0.2246","","","","","","0.98","","","","has coordinates","223006","2020-10-21","18:00:00",""
"4034502","9.736","0.004","11.089","0.004","15.026","0.006","85.979","0.018","88.879","0.019","88.814","0.017","1617.6","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Kumar, Virendra; Awasthi, Annapurna; Metya, Abhisek; Khan, Tabrez","A Metal-Free Domino Process for Regioselective Synthesis of 1,2,4-Trisubstituted Pyrroles: Application toward the Formal Synthesis of Ningalin B.","The Journal of organic chemistry","2019","84","18","11581","11595","10.1021/acs.joc.9b01520","","","0.71073","MoKα","","0.108","0.0657","","","0.1631","0.1932","","","","","","1.026","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034503","27.438","0.005","8.466","0.0016","9.7512","0.0019","90","","90","","90","","2265.1","0.7","296.15","0.1","296.15","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","Liu, Xing; Dong, Zhi-Bing","Chemoselective Chan-Lam Coupling Reactions between Benzimidazoline-2-thiones and Arylboronic Acids.","The Journal of organic chemistry","2019","84","18","11524","11532","10.1021/acs.joc.9b01370","","","0.71073","MoKα","","0.0637","0.0483","","","0.1004","0.1117","","","","","","1.141","","","","has coordinates","223008","2020-10-21","18:00:00",""
"4034504","51.068","0.002","10.701","0.0004","20.7984","0.0009","90","","109.478","0.0016","90","","10715.4","0.8","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C432 H608 O32 S16 -","8","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0734","0.0617","","0.1813","0.1711","0.1813","","","","","","0.9313","","","","has coordinates,has disorder","223009","2020-10-21","18:00:00",""
"4034505","9.3862","0.0003","14.2171","0.0005","19.5174","0.0007","100.48","0.001","99.0902","0.001","93.0281","0.001","2519.94","0.15","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C108 H152 O8 S4 -","2","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0387","0.0383","","0.0976","0.0975","0.0976","","","","","","0.9497","","","","has coordinates","223010","2020-10-21","18:00:00",""
"4034506","13.0211","0.0004","13.0211","0.0004","25.5008","0.0007","90","","90","","120","","3744.38","0.19","180","","180","","","","101","","","","","4","P 32 2 1","P 32 2""","154","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C162 H228 O12 S6 -","3","0.5","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0457","0.0456","","0.1085","0.1084","0.1085","","","","","","0.8768","","","","has coordinates,has disorder","223011","2020-10-21","18:00:00",""
"4034507","13.8672","0.0004","13.8672","0.0004","24.9165","0.0007","90","","90","","120","","4149.5","0.2","180","","180","","","","","","","","","4","P 32","P 32","145","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C174 H252 O12 S6 -","3","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0808","0.074","","0.211","0.2005","0.211","","","","","","1.0303","","","","has coordinates,has disorder","223012","2020-10-21","18:00:00",""
"4034508","10.0198","0.0003","40.3929","0.0011","13.8991","0.0004","90","","100.855","0.001","90","","5524.7","0.3","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C232 H336 O16 S8 -","4","2","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0734","0.0707","","0.196","0.1941","0.196","","","","","","0.9405","","","","has coordinates,has disorder","223013","2020-10-21","18:00:00",""
"4034509","10.4974","0.0004","13.0623","0.0005","19.5386","0.0007","108.273","0.0012","93.3489","0.0012","96.5858","0.0013","2514.57","0.16","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C54 H76 O4 S2 -","- C54.0032 H76.0094 O4 S2.0002 -","- C108.006 H152.019 O8 S4.0004 -","2","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0462","0.045","","0.1156","0.1151","0.1156","","","","","","0.9554","","","","has coordinates,has disorder","223014","2020-10-21","18:00:00",""
"4034510","10.1236","0.0003","22.2391","0.0007","10.781","0.0003","90","","107.328","0.0009","90","","2317.07","0.12","180","","180","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 O4 S2 -","- C50 H68 O4 S2 -","- C100 H136 O8 S4 -","2","0.5","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0352","0.0348","","0.089","0.0889","0.089","","","","","","0.9291","","","","has coordinates,has disorder","223015","2020-10-21","18:00:00",""
"4034511","7.9383","0.0011","9.6261","0.0013","12.0805","0.0017","82.961","0.002","75.096","0.002","69.699","0.002","836.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C42 H30 Br2 O4 -","2","1","","He, Xinwei; Xie, Mengqing; Tang, Qiang; Zuo, Youpeng; Li, Ruxue; Shang, Yongjia","Catalyst-Free Synthesis of 2,3-Dihydrobenzofurans via a Formal [4+1] Annulation of Propargylamines with Sulfur Ylides.","The Journal of organic chemistry","2019","84","18","11623","11638","10.1021/acs.joc.9b01557","","","0.71073","MoKα","","0.0718","0.0534","","","0.1218","0.1309","","","","","","1.092","","","","has coordinates","223016","2020-10-21","18:00:00",""
"4034512","12.0583","0.0011","7.508","0.0007","20.4002","0.0017","90","","96.629","0.003","90","","1834.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","He, Xinwei; Xie, Mengqing; Tang, Qiang; Zuo, Youpeng; Li, Ruxue; Shang, Yongjia","Catalyst-Free Synthesis of 2,3-Dihydrobenzofurans via a Formal [4+1] Annulation of Propargylamines with Sulfur Ylides.","The Journal of organic chemistry","2019","84","18","11623","11638","10.1021/acs.joc.9b01557","","","0.71073","MoKα","","0.0693","0.0626","","","0.1823","0.1894","","","","","","1.026","","","","has coordinates","223017","2020-10-21","18:00:00",""
"4034513","7.9839","0.0004","9.8531","0.0004","15.2245","0.0007","72.988","0.004","89.602","0.004","80.801","0.004","1129.51","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","1","0.5","","Kazim, Muhammad; Foy, Hayden; Siegler, Maxime A.; Dudding, Travis; Lectka, Thomas","Discovery and Mechanistic Study of a Totally Organic C<sub>(aryl)</sub>-C<sub>(alkyl)</sub>Oxygen Insertion Reaction.","The Journal of organic chemistry","2019","84","21","14349","14353","10.1021/acs.joc.9b02238","","","0.71073","MoKα","","0.0636","0.0479","","","0.1066","0.1158","","","","","","1.039","","","","has coordinates,has disorder","223018","2020-10-21","18:00:00",""
"4034514","8.0663","0.0005","12.7882","0.0006","13.3392","0.0011","102.324","0.005","103.153","0.006","102.371","0.004","1258.07","0.15","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O5 -","- C29 H20 O5 -","- C58 H40 O10 -","2","1","","Kazim, Muhammad; Foy, Hayden; Siegler, Maxime A.; Dudding, Travis; Lectka, Thomas","Discovery and Mechanistic Study of a Totally Organic C<sub>(aryl)</sub>-C<sub>(alkyl)</sub>Oxygen Insertion Reaction.","The Journal of organic chemistry","2019","84","21","14349","14353","10.1021/acs.joc.9b02238","","","1.54178","CuKα","","0.0783","0.0658","","","0.175","0.1833","","","","","","1.059","","","","has coordinates","223019","2020-10-21","18:00:00",""
"4034515","13.0658","0.0008","12.6324","0.0007","18.3843","0.0011","90","","107.83","0.007","90","","2888.6","0.3","295.1","0.18","295.1","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 F3 N2 O8 -","- C29 H31 F3 N2 O8 -","- C116 H124 F12 N8 O32 -","4","1","","Yang, Xie-Chao; Liu, Jin-Yu; Liu, Zhen; Hu, Xiu-Qin; Xu, Peng-Fei","Quaternary Carbon Center Forming [3 + 2] Cyclization Reaction by Adjusting the Substituents of Substrates.","The Journal of organic chemistry","2019","84","21","13871","13880","10.1021/acs.joc.9b02041","","","0.71073","MoKα","","0.1029","0.0623","","","0.1468","0.1807","","","","","","1.01","","","","has coordinates","223020","2020-10-21","18:00:00",""
"4034516","13.4214","0.0012","11.7864","0.0011","17.4141","0.0015","90","","92.874","0.002","90","","2751.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br F O3 S -","- C29 H28 Br F O3 S -","- C116 H112 Br4 F4 O12 S4 -","4","1","","Shi, Hao-Nan; Huang, Min-Hua; He, Chun-Lan; Lu, Hai-Ping; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Completely Stereoselective Synthesis of Sulfonated 1,3-Dihydroisobenzofurans via Radical Multicomponent Reactions.","The Journal of organic chemistry","2019","84","21","13686","13695","10.1021/acs.joc.9b01918","","","0.71073","MoKα","","0.1534","0.0618","","","0.1406","0.159","","","","","","1.065","","","","has coordinates,has disorder","223021","2020-10-21","18:00:00",""
"4034517","8.923","0.0007","10.5859","0.0009","14.8151","0.0012","75.045","0.001","78.478","0.001","89.563","0.002","1323.33","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 F2 N2 O3 S -","- C30 H22 F2 N2 O3 S -","- C60 H44 F4 N4 O6 S2 -","2","1","","Shi, Hao-Nan; Huang, Min-Hua; He, Chun-Lan; Lu, Hai-Ping; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Completely Stereoselective Synthesis of Sulfonated 1,3-Dihydroisobenzofurans via Radical Multicomponent Reactions.","The Journal of organic chemistry","2019","84","21","13686","13695","10.1021/acs.joc.9b01918","","","0.71073","MoKα","","0.1719","0.0708","","","0.0766","0.091","","","","","","0.963","","","","has coordinates","223022","2020-10-21","18:00:00",""
"4034518","7.468","0.003","10.606","0.006","12.627","0.004","90","","90","","90","","1000.1","0.8","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 Cl N O -","- C9 H16 Cl N O -","- C36 H64 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0838","0.0405","","","0.0841","0.1005","","","","","","1.061","","","","has coordinates","223023","2020-10-21","18:00:00",""
"4034519","7.1176","0.001","15.208","0.002","10.1283","0.0014","90","","91.197","0.004","90","","1096.1","0.3","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O2 -","- C8 H18 Cl2 N2 O2 -","- C32 H72 Cl8 N8 O8 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0383","0.0304","","","0.0752","0.0782","","","","","","1.063","","","","has coordinates","223024","2020-10-21","18:00:00",""
"4034520","6.9635","0.0002","6.8977","0.0002","14.8768","0.0004","90","","95.7031","0.0018","90","","711.03","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl N O -","- C6 H12 Cl N O -","- C24 H48 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0515","0.0392","","","0.0889","0.0932","","","","","","1.087","","","","has coordinates","223025","2020-10-21","18:00:00",""
"4034521","13.372","0.003","5.9409","0.0015","12.492","0.003","90","","116.478","0.005","90","","888.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl N O -","- C8 H14 Cl N O -","- C32 H56 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0467","0.0359","","","0.0877","0.0936","","","","","","1.036","","","","has coordinates","223026","2020-10-21","18:00:00",""
"4034522","24.981","0.005","7.1333","0.0013","12.15","0.002","90","","90","","90","","2165.1","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 Cl N O -","- C10 H18 Cl N O -","- C80 H144 Cl8 N8 O8 -","8","2","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.1006","0.0677","","","0.1717","0.1958","","","","","","1.051","","","","has coordinates","223027","2020-10-21","18:00:00",""
"4034523","8.521","0.002","5.6665","0.0013","32.043","0.009","90","","90","","90","","1547.2","0.7","220","","220","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 F O2 S -","- C19 H15 F O2 S -","- C76 H60 F4 O8 S4 -","4","1","","Ni, Jiabin; Nishonov, Bekzod; Pardaev, Azizbek; Zhang, Ao","Palladium-Catalyzed Ring-Opening Coupling of <i>gem</i>-Difluorocyclopropanes for the Construction of 2-Fluoroallylic Sulfones.","The Journal of organic chemistry","2019","84","21","13646","13654","10.1021/acs.joc.9b01897","","","0.71073","MoKα","","0.0864","0.0538","","","0.0965","0.114","","","","","","0.993","","","","has coordinates","223028","2020-10-21","18:00:00",""
"4034524","19.2816","0.0006","14.7591","0.0004","20.9864","0.0007","90","","90","","90","","5972.3","0.3","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Br4 I2 In N2 O3 -","- C23 H21 Br4 I2 In N2 O3 -","- C184 H168 Br32 I16 In8 N16 O24 -","8","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0456","","","","0.0332","","","","","","1.663","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034525","8.4308","0.0009","8.9813","0.0007","10.4867","0.0011","77.69","0.008","66.808","0.01","83.175","0.008","712.56","0.13","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 I O3 -","- C14 H17 I O3 -","- C28 H34 I2 O6 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0372","","","","0.0436","","","","","","0.99","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034526","7.53781","0.00014","10.20563","0.00017","11.60365","0.00018","73.547","0.0014","78.527","0.0014","86.886","0.0014","838.99","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C38 H36 I2 N2 O2 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0278","","","","0.0264","","","","","","2.037","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034527","10.0928","0.0003","11.2539","0.0003","15.7207","0.0005","110.444","0.003","93.094","0.003","104.384","0.002","1601.09","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 Br4 I2 In N2 O -","- C27 H19 Br4 I2 In N2 O -","- C54 H38 Br8 I4 In2 N4 O2 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0388","","","","0.0406","","","","","","1.364","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034528","15.7256","0.0011","7.8647","0.0005","12.5283","0.0008","90","","107.452","0.007","90","","1478.14","0.18","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 I O -","- C17 H13 I O -","- C68 H52 I4 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0339","","","","0.0769","","","","","","0.951","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034529","10.7276","0.0003","6.04195","0.00012","21.376","0.0005","90","","92.5","0.002","90","","1384.18","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","1.54184","CuKα","","","0.057","","","","0.0701","","","","","","3.418","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034530","7.51047","0.00005","20.79595","0.00011","11.09437","0.00006","90","","90.0347","0.0006","90","","1732.8","0.017","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O -","- C24 H20 O -","- C96 H80 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","1.54184","CuKα","","","0.0635","","","","0.1574","","","","","","0.802","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034531","10.9644","0.0002","30.3343","0.0005","11.0367","0.0002","90","","98.842","0.0008","90","","3627.15","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 Br N2 O9 -","- C35 H41 Br N2 O9 -","- C140 H164 Br4 N8 O36 -","4","2","","Sato, Ryo; Tosaka, Takuya; Masu, Hyuma; Arai, Takayoshi","Catalytic Asymmetric Synthesis of Chiral Bis(indolyl)methanes Using a Ts-PyBidine-Nickel Complex.","The Journal of organic chemistry","2019","84","21","14248","14257","10.1021/acs.joc.9b02006","","","1.54178","CuKα","","0.0385","0.0379","","","0.0982","0.0989","","","","","","1.021","","","","has coordinates","223030","2020-10-21","18:00:00",""
"4034532","9.413","0.003","10.263","0.003","11.789","0.003","82.581","0.004","78.044","0.004","79.541","0.003","1090.7","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","tosaka20161121","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Sato, Ryo; Tosaka, Takuya; Masu, Hyuma; Arai, Takayoshi","Catalytic Asymmetric Synthesis of Chiral Bis(indolyl)methanes Using a Ts-PyBidine-Nickel Complex.","The Journal of organic chemistry","2019","84","21","14248","14257","10.1021/acs.joc.9b02006","","","0.71073","MoKα","","0.1304","0.0931","","","0.176","0.1914","","","","","","1.157","","","","has coordinates,has disorder","223031","2020-10-21","18:00:00",""
"4034533","7.0678","0.0007","24.954","0.002","11.6047","0.001","90","","91.286","0.006","90","","2046.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O4 -","- C23 H25 N3 O4 -","- C92 H100 N12 O16 -","4","1","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","","1.54187","CuKα","","0.1603","0.0657","","","0.1595","0.2241","","","","","","0.995","","","","has coordinates","223032","2020-10-21","18:00:00",""
"4034534","14.9275","0.0004","13.8231","0.0003","23.3215","0.0006","90","","107.109","0.003","90","","4599.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N3 O5.5 -","- C24 H28 N3 O5.5 -","- C192 H224 N24 O44 -","8","2","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","x-ray","0.71073","MoKα","","0.0695","0.0513","","","0.1363","0.1469","","","","","","1.048","","","","has coordinates","223033","2020-10-21","18:00:00",""
"4034535","15.119","0.015","6.98","0.005","23.971","0.015","90","","98.71","0.03","90","","2501","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F3 N3 O3 -","- C28 H24 F3 N3 O3 -","- C112 H96 F12 N12 O12 -","4","1","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","","1.54187","CuKα","","0.1456","0.0792","","","0.2168","0.2618","","","","","","0.924","","","","has coordinates,has disorder","223034","2020-10-21","18:00:00",""
"4034536","45.984","0.003","14.1262","0.0009","15.9483","0.001","90","","92.21","0.003","90","","10352","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C480 H480 N96 O48 -","48","12","","Bisht, Girish Singh; Gnanaprakasam, Boopathy","Transition-Metal-Free Addition Reaction for the Synthesis of 3-(Aminobenzylidene/aminoalkylidene)indolin-2-ones and Its Synthetic Applications.","The Journal of organic chemistry","2019","84","21","13516","13527","10.1021/acs.joc.9b01771","","","1.54178","CuKα","","0.0561","0.0465","","","0.1424","0.1495","","","","","","1.13","","","","has coordinates","223035","2020-10-21","18:00:00",""
"4034537","32.615","0.003","7.5572","0.0008","23.266","0.002","90","","129.639","0.003","90","","4416.1","0.8","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C224 H192 N16 O8 -","8","1","","Cardoza, Savio; Das, Parthasarathi; Tandon, Vibha","Pd-Catalyzed Sequential Arylation of 7-Azaindoles: Aggregate-Induced Emission of Tetra-Aryl 7-Azaindoles.","The Journal of organic chemistry","2019","84","21","14015","14029","10.1021/acs.joc.9b02187","","","0.71073","MoKα","","0.0548","0.0479","","","0.203","0.2241","","","","","","1.04","","","","has coordinates","223036","2020-10-21","18:00:00",""
"4034538","9.286","0.0014","32.685","0.004","10.0857","0.0012","90","","113.399","0.004","90","","2809.4","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 N2 O2 -","- C35 H30 N2 O2 -","- C140 H120 N8 O8 -","4","1","","Cardoza, Savio; Das, Parthasarathi; Tandon, Vibha","Pd-Catalyzed Sequential Arylation of 7-Azaindoles: Aggregate-Induced Emission of Tetra-Aryl 7-Azaindoles.","The Journal of organic chemistry","2019","84","21","14015","14029","10.1021/acs.joc.9b02187","","","0.71073","MoKα","","0.077","0.0533","","","0.1576","0.1814","","","","","","1.067","","","","has coordinates","223037","2020-10-21","18:00:00",""
"4034539","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223038","2020-10-21","18:00:00",""
"4034540","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","223039","2020-10-21","18:00:00",""
"4034541","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","223040","2020-10-21","18:00:00",""
"4034542","10.4256","0.0014","12.6372","0.0014","16.616","0.002","90","","96.095","0.012","90","","2176.8","0.5","293","2","293","2","","","","","","","oganic synthesis","4","P 1 21/n 1","-P 2yn","14","","(10-ethyl-7-phenyl-6,7-dihydro-5H-benzo[b]pyrrolo[1,2-d][1,4]diazepin-5-yl)(phenyl)methanone","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zelina, Elena Y.; Nevolina, Tatyana A.; Skvortsov, Dmitry A.; Trushkov, Igor V.; Uchuskin, Maxim G.","A Route to (Het)arene-Annulated Pyrrolo[1,2-<i>d</i>][1,4]diazepines via the Expanded Intramolecular Paal-Knorr Reaction: Nitro Group and Furan Ring as Equivalents of Amino Group and 1,4-Diketone.","The Journal of organic chemistry","2019","84","21","13707","13720","10.1021/acs.joc.9b01925","","x-ray","0.71073","MoKα","","0.0822","0.0649","","","0.1833","0.197","","","","","","1.034","","","","has coordinates","223041","2020-10-21","18:00:00",""
"4034543","17.08","0.03","14.32","0.02","7.997","0.012","90","","80.212","0.018","90","","1927","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.1209","0.0781","","","0.1993","0.2334","","","","","","1.008","","","","has coordinates","223042","2020-10-21","18:00:00",""
"4034544","7.564","0.003","10.325","0.004","11.849","0.004","80.459","0.009","89.468","0.009","88.028","0.009","912","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C40 H40 N4 O8 S2 -","2","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.0343","0.0324","","","0.091","0.0927","","","","","","0.998","","","","has coordinates","223043","2020-10-21","18:00:00",""
"4034545","25.468","0.005","4.6287","0.0008","23.093","0.004","90","","113.58","0.005","90","","2495","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 Br N2 O -","- C16 H9 Br N2 O -","- C128 H72 Br8 N16 O8 -","8","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.0797","0.0592","","","0.1713","0.1984","","","","","","1.005","","","","has coordinates","223044","2020-10-21","18:00:00",""
"4034546","9.3851","0.0019","10.325","0.002","13.344","0.003","89.257","0.002","74.918","0.002","67.207","0.002","1145.4","0.4","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 N6 -","- C24 H36 N6 -","- C48 H72 N12 -","2","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","0.71073","MoKα","","0.0473","0.0412","","","0.1053","0.11","","","","","","0.967","","","","has coordinates","223045","2020-10-21","18:00:00",""
"4034547","25.9278","0.0011","10.4781","0.0004","23.3336","0.001","90","","123.115","0.004","90","","5309.5","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N6 -","- C30 H36 N6 -","- C240 H288 N48 -","8","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","1.54178","CuKα","","0.0883","0.0544","","","0.1193","0.131","","","","","","1.053","","","","has coordinates,has disorder","223046","2020-10-21","18:00:00",""
"4034548","11.0095","0.0006","23.1808","0.0013","13.2505","0.0007","90","","114.06","0.003","90","","3087.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 N6 -","- C32 H46 N6 -","- C128 H184 N24 -","4","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","1.54178","CuKα","","0.0887","0.069","","","0.1814","0.2012","","","","","","1.053","","","","has coordinates,has disorder","223047","2020-10-21","18:00:00",""
"4034549","33.097","0.003","12.1277","0.0012","7.263","0.0007","90","","101.451","0.006","90","","2857.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C136 H96 F8 N8 O24 -","8","1","","Vadivelu, Murugan; Sampath, Sugirdha; Muthu, Kesavan; Karthikeyan, Kesavan; Praveen, Chandrasekar","Harnessing the TEMPO-Catalyzed Aerobic Oxidation for Machetti-De Sarlo Reaction toward Sustainable Synthesis of Isoxazole Libraries.","The Journal of organic chemistry","2019","84","21","13636","13645","10.1021/acs.joc.9b01896","","","0.71073","MoKα","","0.0837","0.0515","","","0.1042","0.1223","","","","","","1.07","","","","has coordinates","223048","2020-10-21","18:00:00",""
"4034550","13.752","0.002","10.6347","0.001","12.4145","0.0018","90","","114.16","0.018","90","","1656.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N7 O3 S -","- C13 H17 N7 O3 S -","- C52 H68 N28 O12 S4 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","0.71073","MoKα","","0.1289","0.0626","","","0.1488","0.2048","","","","","","1.002","","","","has coordinates","223049","2020-10-21","18:00:00",""
"4034551","8.9035","0.0005","10.0161","0.0007","10.3084","0.0007","90.185","0.006","108.341","0.005","112.269","0.006","799.62","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 F N5 O2 S2 -","- C13 H16 F N5 O2 S2 -","- C26 H32 F2 N10 O4 S4 -","2","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","0.7107","MoKα","","0.056","0.0431","","","0.1351","0.1525","","","","","","1.009","","","","has coordinates","223050","2020-10-21","18:00:00",""
"4034552","8.53","0.006","9.037","0.004","23.329","0.016","90","","90","","90","","1798.3","1.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N6 O2 S2 -","- C13 H24 N6 O2 S2 -","- C52 H96 N24 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","1.54184","CuKα","","0.0507","0.045","","","0.1028","0.1042","","","","","","1.038","","","","has coordinates","223051","2020-10-21","18:00:00",""
"4034553","11.6527","0.0019","16.548","0.0019","12.5581","0.0019","90","","109.183","0.017","90","","2287.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Tong, Pei; Sun, Zhou; Wang, Shutao; Zhang, Yuan; Li, Ying","Zn(OTf)<sub>2</sub>-Catalyzed Formal [3 + 3] Cascade Annulation of Propargylic Alcohols with 2-Aminochromones: Accessing the Chromeno[2,3-<i>b</i>]pyridines.","The Journal of organic chemistry","2019","84","21","13967","13974","10.1021/acs.joc.9b02120","","","0.71073","MoKα","","0.1387","0.0637","","","0.1198","0.1576","","","","","","1.026","","","","has coordinates","223052","2020-10-21","18:00:00",""
"4034554","8.153","0.0006","10.6538","0.0008","18.3193","0.0014","90","","90","","90","","1591.2","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.1082","0.1045","","","0.2425","0.2494","","","","","","1.144","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034555","7.4919","0.0005","13.2055","0.0009","15.9971","0.0011","90","","90","","90","","1582.66","0.19","120","","120","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C19 H19 N2 O3 -","- C19 H19 N2 O3 -","- C76 H76 N8 O12 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.0465","0.0399","","","0.1013","0.1084","","","","","","1.046","","","","has coordinates","223054","2020-10-21","18:00:00",""
"4034556","9.2943","0.0004","10.1497","0.0004","19.3054","0.0007","90","","90","","90","","1821.16","0.13","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","1.54178","CuKα","","0.0274","0.0267","","","0.07","0.0708","","","","","","1.048","","","","has coordinates","223055","2020-10-21","18:00:00",""
"4034557","6.9459","0.0013","19.489","0.004","15.671","0.003","90","","90.077","0.004","90","","2121.4","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","2","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","0.71073","MoKα","","0.1686","0.0877","","","0.1834","0.2342","","","","","","0.976","","","","has coordinates","223056","2020-10-21","18:00:00",""
"4034558","11.04919","0.00018","12.5553","0.0003","13.5552","0.0003","73.9262","0.0019","79.3366","0.0016","79.3046","0.0016","1757.67","0.07","294.1","0.2","294.1","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N S -","- C24 H17 N S -","- C96 H68 N4 S4 -","4","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0626","0.0501","","","0.1324","0.1421","","","","","","1.044","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034559","18.3659","0.0012","11.7207","0.0009","8.8736","0.0007","90","","102.469","0.007","90","","1865.1","0.2","294.13","0.16","294.13","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 S -","- C24 H16 N2 O2 S -","- C96 H64 N8 O8 S4 -","4","1","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.1505","0.065","","","0.1187","0.1589","","","","","","1.037","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034560","12.1121","0.0003","14.1893","0.0003","21.9733","0.0006","90","","104.932","0.003","90","","3648.86","0.16","293.9","0.3","293.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 S -","- C25 H16 N2 S -","- C200 H128 N16 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0564","0.0417","","","0.1004","0.1106","","","","","","1.029","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034561","15.0652","0.0003","12.5113","0.0003","19.6794","0.0005","90","","90","","90","","3709.28","0.15","293.6","0.19","293.6","0.19","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H17 N O2 S -","- C25 H17 N O2 S -","- C200 H136 N8 O16 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0646","0.0521","","","0.1187","0.1307","","","","","","1.047","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034562","22.6911","0.0013","20.5795","0.0009","8.1911","0.0004","90","","90","","90","","3825","0.3","293.9","0.4","293.9","0.4","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C200 H144 N16 O8 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0981","0.0603","","","0.1343","0.1553","","","","","","1.044","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034563","4.3237","0.0002","19.2147","0.0006","21.1017","0.0008","90","","94.738","0.004","90","","1747.11","0.12","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 S -","- C24 H18 N2 S -","- C96 H72 N8 S4 -","4","1","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0973","0.0602","","","0.133","0.1553","","","","","","1.059","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034565","21.15","0.003","9.7675","0.0013","16.065","0.002","90","","104.705","0.002","90","","3210","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O6 S -","- C16 H16 O6 S -","- C128 H128 O48 S8 -","8","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","","0.71073","MoKα","","0.0473","0.0387","","","0.1074","0.1117","","","","","","1.008","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034566","15.573","0.0011","15.4582","0.0011","11.9655","0.0009","90","","106.128","0.002","90","","2767.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 Ru S -","- C30 H32 O4 Ru S -","- C120 H128 O16 Ru4 S4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0383","0.03","","","0.0743","0.0814","","","","","","1.043","","","","has coordinates,has disorder","223058","2020-10-21","18:00:00",""
"4034567","11.0617","0.0008","10.3249","0.0008","15.3097","0.0011","90","","104.003","0.003","90","","1696.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0541","0.0406","","","0.0894","0.0952","","","","","","1.059","","","","has coordinates,has disorder","223058","2020-10-21","18:00:00",""
"4034568","15.5019","0.0008","8.5732","0.0005","14.4028","0.0008","90","","107.173","0.002","90","","1828.81","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O5 S Si -","- C17 H22 O5 S Si -","- C68 H88 O20 S4 Si4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0456","0.0349","","","0.0845","0.0905","","","","","","1.051","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034569","8.1249","0.0014","9.0422","0.0014","9.265","0.0015","75.059","0.012","64.69","0.011","71.468","0.011","577.49","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Co F6 O8 -","- C4 H8 Co F6 O8 -","- C8 H16 Co2 F12 O16 -","2","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0784","0.0551","","","0.1087","0.1202","","","","","","1.057","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034570","7.5692","0.0002","11.1619","0.0003","13.8735","0.0004","69.526","0.001","76.891","0.001","78.419","0.001","1059.96","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C48 H42 N2 O12 S2 -","2","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0488","0.0406","","","0.0966","0.1029","","","","","","1.027","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034571","13.4894","0.0001","13.8665","0.0001","22.2258","0.0002","90","","90","","90","","4157.35","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","1","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.0301","0.0294","","","0.0781","0.0788","","","","","","1.023","","","","has coordinates","223059","2020-10-21","18:00:00",""
"4034572","28.4549","0.0014","6.8073","0.0003","70.292","0.003","90","","96.374","0.004","90","","13531.5","1.1","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C46 H63 O8 -","- C46 H63 O8 -","- C552 H756 O96 -","12","3","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.0939","0.0786","","","0.2114","0.2289","","","","","","1.066","","","","has coordinates","223060","2020-10-21","18:00:00",""
"4034573","7.14826","0.00009","21.3979","0.0003","26.9591","0.0004","90","","91.3181","0.0012","90","","4122.51","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","2","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.046","0.0441","","","0.1186","0.1201","","","","","","1.044","","","","has coordinates","223061","2020-10-21","18:00:00",""
"4034574","16.2705","0.0002","23.0829","0.0003","16.4391","0.0002","90","","90","","90","","6174.04","0.13","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O4 -","- C16 H13 Cl N2 O4 -","- C256 H208 Cl16 N32 O64 -","16","2","","Xing, Linlin; Zhang, Yong; Zhang, Yilin; Ai, Zhenkang; Li, Xuemin; Du, Yunfei; Deng, Jun; Zhao, Kang","Regioselective Chlorolactonization of Styrene-Type Carboxylic Esters and Amides via PhICl<sub>2</sub>-Mediated Oxidative C-O/C-Cl Bond Formations.","The Journal of organic chemistry","2019","84","21","13832","13840","10.1021/acs.joc.9b02022","","x-ray","1.54184","CuKα","","0.0698","0.0557","","","0.1443","0.1564","","","","","","1.023","","","","has coordinates,has disorder","223062","2020-10-21","18:00:00",""
"4034575","8.30352","0.00008","8.62547","0.00011","10.50067","0.00011","106.302","0.001","101.893","0.0009","103.836","0.001","670.1","0.015","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl F3 O2 -","- C16 H10 Cl F3 O2 -","- C32 H20 Cl2 F6 O4 -","2","1","","Xing, Linlin; Zhang, Yong; Zhang, Yilin; Ai, Zhenkang; Li, Xuemin; Du, Yunfei; Deng, Jun; Zhao, Kang","Regioselective Chlorolactonization of Styrene-Type Carboxylic Esters and Amides via PhICl<sub>2</sub>-Mediated Oxidative C-O/C-Cl Bond Formations.","The Journal of organic chemistry","2019","84","21","13832","13840","10.1021/acs.joc.9b02022","","x-ray","1.54184","CuKα","","0.0298","0.0282","","","0.0752","0.0778","","","","","","1.08","","","","has coordinates","223063","2020-10-21","18:00:00",""
"4034576","8.345","0.003","11.25","0.003","30.833","0.009","90","","90","","90","","2894.6","1.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 Cl O3 -","- C16 H15 Cl O3 -","- C128 H120 Cl8 O24 -","8","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0482","0.0343","","","0.0878","0.0946","","","","","","0.901","","","","has coordinates","223064","2020-10-21","18:00:00",""
"4034577","14.851","0.015","4.703","0.005","16.195","0.016","90","","107.694","0.012","90","","1077.6","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl O3 -","- C11 H13 Cl O3 -","- C44 H52 Cl4 O12 -","4","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0705","0.0529","","","0.1263","0.1322","","","","","","1.178","","","","has coordinates","223065","2020-10-21","18:00:00",""
"4034578","5.6203","0.0003","8.9365","0.0005","14.7908","0.001","90","","92.213","0.003","90","","742.33","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0526","0.036","","","0.1049","0.1219","","","","","","0.933","","","","has coordinates","223066","2020-10-21","18:00:00",""
"4034579","11.9718","0.0007","10.0001","0.0005","13.155","0.0007","90","","94.144","0.005","90","","1570.79","0.15","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0363","0.0298","","","0.0806","0.083","","","","","","1.07","","","","has coordinates","223067","2020-10-21","18:00:00",""
"4034580","11.4273","0.0002","12.1982","0.0002","12.8395","0.0002","90","","90","","90","","1789.73","0.05","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0288","","","0.08","0.0806","","","","","","1.052","","","","has coordinates","223068","2020-10-21","18:00:00",""
"4034581","5.7829","0.0002","13.4141","0.0005","20.7255","0.0006","90","","90","","90","","1607.73","0.09","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0283","","","0.0784","0.0792","","","","","","1.081","","","","has coordinates","223069","2020-10-21","18:00:00",""
"4034582","12.9091","0.0009","18.649","0.0012","16.3846","0.0011","90","","106.745","0.003","90","","3777.2","0.4","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 O2 -","- C43 H60 O2 -","- C172 H240 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.0658","0.0501","","","0.1321","0.1417","","","","","","1.041","","","","has coordinates","223070","2020-10-21","18:00:00",""
"4034583","14.5479","0.0012","13.8161","0.0012","19.0946","0.0016","90","","94.938","0.004","90","","3823.7","0.6","109","2","108.97","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 O2 -","- C47 H52 O2 -","- C188 H208 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.2031","0.1876","","","0.496","0.503","","","","","","1.102","","","","has coordinates","223070","2020-10-21","18:00:00",""
"4034584","10.1187","0.0002","21.3827","0.0005","23.195","0.0006","90","","90","","90","","5018.6","0.2","102","2","102.49","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 O2 -","- C59 H76 O2 -","- C236 H304 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.0668","0.0466","","","0.1066","0.1165","","","","","","1.016","","","","has coordinates,has disorder","223070","2020-10-21","18:00:00",""
"4034585","9.834","0.003","23.521","0.006","10.229","0.003","90","","102.582","0.003","90","","2309.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N2 O S2 -","- C25 H21 Br N2 O S2 -","- C100 H84 Br4 N8 O4 S8 -","4","1","","Bodhak, Chandan; Pramanik, Animesh","One-Pot, Three-Component Synthesis of 5-Sulfenyl-2-iminothiazolines by Cross-Dehydrogenative C-S Coupling Using I<sub>2</sub>/DMSO in Open Air.","The Journal of organic chemistry","2019","84","11","7265","7278","10.1021/acs.joc.9b00785","","","0.71073","MoKα","","0.0469","0.0325","","","0.0783","0.0845","","","","","","1.028","","","","has coordinates","223071","2020-10-21","18:00:00",""
"4034586","4.7639","0.0003","10.5335","0.0006","23.7167","0.0013","90","","94.668","0.007","90","","1186.17","0.12","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 F6 N3 -","- C12 H7 F6 N3 -","- C48 H28 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0597","","","","0.1286","","","","","","0.916","","","","has coordinates","223072","2020-10-21","18:00:00",""
"4034587","11.716","0.0004","5.04263","0.00015","21.6594","0.0007","90","","103.028","0.008","90","","1246.69","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F6 N3 -","- C13 H9 F6 N3 -","- C52 H36 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0399","","","","0.1113","","","","","","1.071","","","","has coordinates","223073","2020-10-21","18:00:00",""
"4034588","9.2235","0.0003","9.2912","0.0003","31.3829","0.001","90","","90","","90","","2689.43","0.15","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C112 H88 F48 N24 -","8","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0657","","","","0.1414","","","","","","1.048","","","","has coordinates","223074","2020-10-21","18:00:00",""
"4034589","5.05749","0.00017","29.7507","0.001","9.2553","0.0003","90","","104.672","0.008","90","","1347.18","0.09","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C56 H44 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0671","","","","0.1709","","","","","","0.959","","","","has coordinates","223075","2020-10-21","18:00:00",""
"4034590","4.5879","0.0003","10.6241","0.0005","11.9829","0.0006","90","","92.543","0.007","90","","583.5","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H7 F6 N3 -","- C12 H7 F6 N3 -","- C24 H14 F12 N6 -","2","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0441","","","","0.1066","","","","","","1.013","","","","has coordinates","223076","2020-10-21","18:00:00",""
"4034591","15.2452","0.0003","17.0853","0.0003","19.0868","0.0003","90","","90","","90","","4971.52","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C272 H216 N8 O16 -","8","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0392","0.037","","","0.0919","0.0935","","","","","","1.031","","","","has coordinates","223077","2020-10-21","18:00:00",""
"4034592","9.7016","0.0004","11.6604","0.0004","11.727","0.0005","88.483","0.003","86.881","0.003","89.643","0.003","1324.17","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","2","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","","0.71073","MoKα","","0.0791","0.0721","","","0.1929","0.1984","","","","","","1.101","","","","has coordinates","223078","2020-10-21","18:00:00",""
"4034593","16.4257","0.0002","18.3154","0.0001","16.5931","0.0002","90","","111.952","0.001","90","","4629.99","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 N O3 -","- C30 H27 N O3 -","- C240 H216 N8 O24 -","8","2","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0441","0.0416","","","0.105","0.1071","","","","","","1.031","","","","has coordinates,has disorder","223079","2020-10-21","18:00:00",""
"4034594","12.92","0.0004","10.2331","0.0003","15.3199","0.0004","90","","99.36","0.003","90","","1998.5","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0464","0.0435","","","0.1081","0.1101","","","","","","1.053","","","","has coordinates","223080","2020-10-21","18:00:00",""
"4034595","16.7112","0.0006","18.8566","0.0007","15.79","0.0006","90","","110.115","0.004","90","","4672.2","0.3","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54184","CuKα","","0.0645","0.0563","","","0.1529","0.1655","","","","","","1.063","","","","has coordinates","223081","2020-10-21","18:00:00",""
"4034596","21.6654","0.0004","9.6032","0.0002","29.9888","0.0007","90","","90","","90","","6239.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C272 H272 Cl16 N32 O16 -","16","2","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54178","CuKα","","0.0851","0.0754","","","0.1657","0.1694","","","","","","1.239","","","","has coordinates,has disorder","223081","2020-10-21","18:00:00",""
"4034597","8.8011","0.0004","16.3251","0.0007","21.7086","0.001","104.967","0.002","99.429","0.002","98.308","0.002","2914.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Iron tricarbonyl triaminocyclopentadienyl tetrafuloroborate","Iron tricarbonyl triaminocyclopentadienyl tetrafuloroborate","","- C27 H27 B F4 Fe N3 O3 -","- C27 H27 B F4 Fe N3 O3 -","- C108 H108 B4 F16 Fe4 N12 O12 -","4","2","","Lator, Alexis; Gaillard, Quentin Gaignard; Mérel, Delphine S; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc","Room-Temperature Chemoselective Reductive Alkylation of Amines Catalyzed by a Well-Defined Iron(II) Complex Using Hydrogen.","The Journal of organic chemistry","2019","84","11","6813","6829","10.1021/acs.joc.9b00581","","","0.71073","MoKα","","0.0989","0.0831","","","0.1917","0.1989","","","","","","1.097","","","","has coordinates","223082","2020-10-21","18:00:00",""
"4034598","19.0715","0.0007","19.0715","0.0007","18.6402","0.0011","90","","90","","90","","6779.9","0.5","291.9","0.2","291.9","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C320 H240 Cl16 N32 O16 -","16","1","","Dagar, Anuradha; Bae, Gi Hun; Lee, Jeong Hwa; Kim, Ikyon","Tandem [4+1+1] Annulation Approach to 4-Acyl-3,4-dihydropyrrolo[1,2- a]pyrazines: Diastereoselective Construction of Dihydropyrazine Units from Pyrroles.","The Journal of organic chemistry","2019","84","11","6916","6927","10.1021/acs.joc.9b00724","","x-ray","0.71073","MoKα","","0.1342","0.0642","","","0.1104","0.1343","","","","","","1.044","","","","has coordinates","223083","2020-10-21","18:00:00",""
"4034599","10.1429","0.0005","11.3255","0.0006","28.5157","0.0015","101.224","0.002","94.472","0.002","94.362","0.002","3189.3","0.3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C37.5 H29 Cl Fe N2 O2 S Se -","- C37.5 H28.5 Cl Fe N2 O2 S Se -","- C150 H114 Cl4 Fe4 N8 O8 S4 Se4 -","4","2","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.0988","0.0538","","","0.0893","0.1026","","","","","","1.031","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4034600","7.2892","0.0014","10.772","0.002","16.748","0.004","90.548","0.01","94.001","0.011","100.253","0.01","1290.6","0.5","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Br Cl3 Fe N2 O S -","- C27 H20 Br Cl3 Fe N2 O S -","- C54 H40 Br2 Cl6 Fe2 N4 O2 S2 -","2","1","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.1188","0.0581","","","0.1336","0.164","","","","","","0.94","","","","has coordinates","223086","2020-10-21","18:00:00",""
"4034601","10.2382","0.0007","10.5403","0.0006","14.96","0.0009","101.312","0.003","96.876","0.003","101.715","0.003","1528.5","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H25 Cl2 Fe N2 O2 S Se -","- C34 H25 Cl2 Fe N2 O2 S Se -","- C68 H50 Cl4 Fe2 N4 O4 S2 Se2 -","2","1","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.0618","0.0431","","","0.0936","0.1016","","","","","","1.013","","","","has coordinates","223087","2020-10-21","18:00:00",""
"4034602","7.5106","0.0004","8.1242","0.0003","46.103","0.003","90","","90","","90","","2813.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N3 O9 -","- C31 H27 N3 O9 -","- C124 H108 N12 O36 -","4","1","","Zuo, Xiong; Liu, Xiong-Li; Wang, Jun-Xin; Yao, Yi-Ming; Zhou, Yan-You; Wei, Qi-Di; Gong, Yi; Zhou, Ying","Organocatalytic Reaction of Chromone-Oxindole Synthon: Access to Chromanone-Based Spirocyclohexaneoxindoles with Five Adjacent Stereocenters.","The Journal of organic chemistry","2019","84","11","6679","6688","10.1021/acs.joc.9b00326","","x-ray","1.54184","CuKα","","0.0708","0.0673","","","0.1729","0.1753","","","","","","1.067","","","","has coordinates","223088","2020-10-21","18:00:00",""
"4034603","6.0244","0.0002","10.8597","0.0004","12.0848","0.0004","90","","90.221","0.002","90","","790.62","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C32 H42 Cl2 N4 O4 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0392","0.0354","","","0.0818","0.0835","","","","","","1.065","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034604","8.8127","0.0002","12.4251","0.0003","16.7855","0.0004","90","","90","","90","","1837.99","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O4 -","- C18 H25 Cl N2 O4 -","- C72 H100 Cl4 N8 O16 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0314","0.0298","","","0.0681","0.0687","","","","","","1.069","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034605","5.9927","0.0001","15.8308","0.0003","16.9752","0.0003","90","","90","","90","","1610.42","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl F N2 O2 -","- C16 H20 Cl F N2 O2 -","- C64 H80 Cl4 F4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0401","0.036","","","0.0915","0.0938","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034606","10.0063","0.0003","12.9939","0.0004","14.0411","0.0003","90","","106.272","0.0017","90","","1752.51","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl N3 O4 -","- C16 H20 Cl N3 O4 -","- C64 H80 Cl4 N12 O16 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0449","0.0364","","","0.0811","0.0854","","","","","","1.027","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034607","6.154","0.0004","14.8883","0.001","15.8902","0.001","90","","90","","90","","1455.9","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N2 O2 -","- C15 H19 Cl N2 O2 -","- C60 H76 Cl4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0316","0.0283","","","0.0651","0.0669","","","","","","1.045","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034608","6.6026","0.0001","16.0983","0.0003","11.7124","0.0002","90","","103.279","0.001","90","","1211.63","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl N2 O2 -","- C10 H17 Cl N2 O2 -","- C40 H68 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.031","0.0282","","","0.0647","0.066","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034609","8.11","0.0001","14.6693","0.0002","11.5814","0.0002","90","","94.617","0.001","90","","1373.35","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 Cl N2 O2 -","- C12 H21 Cl N2 O2 -","- C48 H84 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.034","0.0302","","","0.068","0.0698","","","","","","1.038","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034610","12.1176","0.0004","7.5277","0.0003","12.3487","0.0004","90","","114.006","0.002","90","","1028.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0475","0.041","","","0.0926","0.0962","","","","","","1.058","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034611","10.6364","0.0002","5.2321","0.0001","18.8702","0.0003","90","","103.104","0.001","90","","1022.79","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 O7 S -","- C19 H32 O7 S -","- C38 H64 O14 S2 -","2","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0348","0.0342","","","0.0933","0.0936","","","","","","1.16","","","","has coordinates","223090","2020-10-21","18:00:00",""
"4034612","21.5846","0.00002","5.0243","0.00001","19.5658","0.00002","90","","98.775","0.003","90","","2097.03","0.018","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H33 O7.5 S -","- C19 H33 O7.5 S -","- C76 H132 O30 S4 -","4","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0343","0.0303","","0.0786","0.0765","0.0786","","","","","","1.0202","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4034613","12.18","0.002","13.002","0.003","23.231","0.005","90","","102.88","0.03","90","","3586.4","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 F3 N2 O -","- C20 H19 F3 N2 O -","- C160 H152 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71075","MoKα","","0.0684","0.0516","","","0.1216","0.1303","","","","","","1.032","","","","has coordinates","223091","2020-10-21","18:00:00",""
"4034614","8.9628","0.0018","9.4248","0.0019","9.828","0.002","72.59","0.03","76.23","0.03","66.65","0.03","720.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C34 H26 F6 N4 O2 -","2","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71075","MoKα","","0.0945","0.0601","","","0.132","0.1501","","","","","","1.027","","","","has coordinates","223092","2020-10-21","18:00:00",""
"4034615","27.797","0.003","12.3377","0.0013","22.253","0.002","90","","124.115","0.003","90","","6318.4","1.1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H50 Br4 N8 O9 Pd4 -","- C65 H50 Br4 N8 O9 Pd4 -","- C260 H200 Br16 N32 O36 Pd16 -","4","0.5","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71073","MoKα","","0.0311","0.025","","","0.0576","0.061","","","","","","1.049","","","","has coordinates,has disorder","223093","2020-10-21","18:00:00",""
"4034616","11.9093","0.0004","4.2046","0.0001","17.3663","0.0006","90","","92.247","0.002","90","","868.93","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I N2 -","- C9 H7 I N2 -","- C36 H28 I4 N8 -","4","1","","Kazi, Imran; Guha, Somraj; Sekar, Govindasamy","Halogen Bond-Assisted Electron-Catalyzed Atom Economic Iodination of Heteroarenes at Room Temperature.","The Journal of organic chemistry","2019","84","11","6642","6654","10.1021/acs.joc.9b00174","","","0.71073","MoKα","","0.0245","0.0202","","","0.0423","0.0442","","","","","","1.068","","","","has coordinates","223094","2020-10-21","18:00:00",""
"4034617","8.835","0.004","10.618","0.005","21.406","0.01","90","","94.091","0.008","90","","2003","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.1186","0.0568","","","0.1202","0.15","","","","","","0.997","","","","has coordinates","223095","2020-10-21","18:00:00",""
"4034618","9.395","0.003","10.61","0.003","11.09","0.004","75.545","0.006","84.22","0.007","76.423","0.007","1039.5","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F O2 P -","- C27 H20 F O2 P -","- C54 H40 F2 O4 P2 -","2","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.083","0.0454","","","0.0943","0.1166","","","","","","1.029","","","","has coordinates,has disorder","223096","2020-10-21","18:00:00",""
"4034619","10.256","0.005","23.54","0.012","9.465","0.005","90","","94.141","0.009","90","","2279","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F3 O2 P -","- C28 H20 F3 O2 P -","- C112 H80 F12 O8 P4 -","4","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.1106","0.0597","","","0.15","0.1832","","","","","","1.019","","","","has coordinates,has disorder","223097","2020-10-21","18:00:00",""
"4034620","8.33461","0.00016","10.798","0.0002","17.6151","0.0003","90","","103.262","0.0019","90","","1543.03","0.05","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylisatin","1-methylindole-2,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C72 H56 N8 O16 -","8","2","","Martínez Suárez, Jaime F; Caram, José A; Echeverría, Gustavo A; Piro, Oscar E.; Gennaro, Ana M.; Mirífico, María V","Electrosynthesis of N-Methylisatin.","The Journal of organic chemistry","2019","84","11","6879","6885","10.1021/acs.joc.9b00690","","x-ray","1.54184","CuKα","","0.0479","0.0413","","","0.1189","0.1287","","","","","","1.038","","","","has coordinates","223098","2020-10-21","18:00:00",""
"4034621","12.8491","0.0003","12.8491","0.0003","22.5713","0.0005","90","","90","","120","","3227.25","0.13","253","0.1","253","0.1","","","","","","","","7","P 61","P 61","169","","","","- C19 H23 Cl N O4 P S -","- C19 H23 Cl N O4 P S -","- C114 H138 Cl6 N6 O24 P6 S6 -","6","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0313","0.0306","","","0.0832","0.0842","","","","","","1.062","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4034622","6.1288","0.0012","16.1","0.003","22.181","0.004","90","","90","","90","","2188.7","0.7","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl N O4 P S -","- C19 H25 Cl N O4 P S -","- C76 H100 Cl4 N4 O16 P4 S4 -","4","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0557","0.0468","","","0.1203","0.1308","","","","","","1.044","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4034623","6.1681","0.0017","8.599","0.002","45.381","0.012","90","","91.368","0.006","90","","2406.3","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F3 N O2 S -","- C26 H23 Cl F3 N O2 S -","- C104 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.194","0.0771","","","0.166","0.2044","","","","","","1.037","","","","has coordinates","223100","2020-10-21","18:00:00",""
"4034624","6.5738","0.0003","9.2172","0.0004","35.5118","0.0013","90","","90","","90","","2151.73","0.16","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl F3 N O2 S -","- C22 H23 Cl F3 N O2 S -","- C88 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.0514","0.0396","","","0.0912","0.096","","","","","","1.032","","","","has coordinates","223101","2020-10-21","18:00:00",""
"4034625","12.6698","0.001","12.0237","0.0009","15.1369","0.0011","90","","108.243","0.002","90","","2190","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl F3 N O2 S -","- C22 H23 Cl F3 N O2 S -","- C88 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.1484","0.0724","","","0.1785","0.2178","","","","","","1.045","","","","has coordinates","223102","2020-10-21","18:00:00",""
"4034626","11.1571","0.0002","12.454","0.0002","11.9","0.0002","90","","90.045","0.001","90","","1653.51","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Arutiunov, Nikolai A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Zhao, Zhenze; Du, Liqin; Kornienko, Alexander; Rubin, Michael","Synthesis of Spiro[indole-3,5'-isoxazoles] with Anticancer Activity via a Formal [4 + 1]-Spirocyclization of Nitroalkenes to Indoles.","The Journal of organic chemistry","2019","84","11","7123","7137","10.1021/acs.joc.9b00808","","x-ray","1.54184","CuKα","","0.0483","0.0452","","","0.1197","0.1221","","","","","","1.049","","","","has coordinates","223103","2020-10-21","18:00:00",""
"4034627","20.7396","0.0004","8.9839","0.0002","21.9017","0.0005","90","","90","","90","","4080.78","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Yoshida, Yasushi; Hiroshige, Tomohiko; Omori, Kazuki; Mino, Takashi; Sakamoto, Masami","Chemo- and Regioselective Asymmetric Synthesis of Cyclic Enamides through the Catalytic Umpolung Organocascade Reaction of α-Imino Amides.","The Journal of organic chemistry","2019","84","11","7362","7371","10.1021/acs.joc.9b01036","","","1.54178","CuKα","","0.0419","0.0376","","","0.1037","0.1081","","","","","","1.05","","","","has coordinates","223104","2020-10-21","18:00:00",""
"4034628","14.0004","0.0003","11.9503","0.0003","17.5757","0.0004","90","","107.37","0.0009","90","","2806.47","0.11","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N2 O -","- C34 H36 N2 O -","- C136 H144 N8 O4 -","4","1","","Su, Yingpeng; Zhao, Yanan; Chang, Bingbing; Zhao, Xiaolong; Zhang, Rong; Liu, Xuan; Huang, Danfeng; Wang, Ke-Hu; Huo, Congde; Hu, Yulai","[3 + 2] Cycloaddition of para-Quinone Methides with Nitrile Imines: Approach to Spiro-pyrazoline-cyclohexadienones.","The Journal of organic chemistry","2019","84","11","6719","6728","10.1021/acs.joc.9b00434","","","1.54178","CuKα","","0.0644","0.0621","","","0.1693","0.1725","","","","","","1.065","","","","has coordinates","223105","2020-10-21","18:00:00",""
"4034629","5.566","0.0002","13.8503","0.0005","16.9333","0.0006","90","","91.13","0.001","90","","1305.15","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","","Yi, Fengping; Sun, Qihui; Sun, Jing; Fu, Chao; Yi, Weiyin","Terminal Alkyne-Assisted One-Pot Synthesis of Arylamidines: Carbon Source of the Amidine Group from Oxime Chlorides.","The Journal of organic chemistry","2019","84","11","6780","6787","10.1021/acs.joc.9b00538","","","1.54178","CuKα","","0.0343","0.0314","","","0.0822","0.0843","","","","","","1.086","","","","has coordinates","223106","2020-10-21","18:00:00",""
"4034630","10.3734","0.0005","10.4862","0.0005","16.0455","0.0007","71.411","0.002","82.811","0.003","60.942","0.002","1445.17","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 Cl2 N4 -","- C31 H34 Cl2 N4 -","- C62 H68 Cl4 N8 -","2","1","","Dutta, Ranjan; Samala, Srinivas; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","meso-Bis(ethynyl) Versus meso-Bis(aryl) Calix[4]pyrroles: Dimensionally Well-Modulated Receptors That Can Regulate the Anion Binding Domains.","The Journal of organic chemistry","2019","84","11","6851","6857","10.1021/acs.joc.9b00639","","","0.71073","MoKα","","0.0962","0.0572","","","0.1194","0.1393","","","","","","1.015","","","","has coordinates","223107","2020-10-21","18:00:00",""
"4034631","10.509","0.002","14.05","0.003","14.974","0.003","69.53","0.03","87.69","0.03","81.67","0.03","2049.3","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H54 N4 O Si2 -","- C39 H54 N4 O Si2 -","- C78 H108 N8 O2 Si4 -","2","1","","Dutta, Ranjan; Samala, Srinivas; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","meso-Bis(ethynyl) Versus meso-Bis(aryl) Calix[4]pyrroles: Dimensionally Well-Modulated Receptors That Can Regulate the Anion Binding Domains.","The Journal of organic chemistry","2019","84","11","6851","6857","10.1021/acs.joc.9b00639","","x-ray","0.63","synchrotron","","0.0816","0.071","","","0.2227","0.2346","","","","","","1.087","","","","has coordinates","223108","2020-10-21","18:00:00",""
"4034632","9.1144","0.001","9.4623","0.001","10.9816","0.0012","79.346","0.009","72.139","0.01","65.185","0.011","816.48","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C32 H34 Br2 N4 O8 -","2","1","","Babu, Venkata Nagarjuna; Murugan, Arumugavel; Katta, Narenderreddy; Devatha, Suman; Sharada, Duddu S.","Exocyclic N-Acyliminium Ion (NAI) Cyclization: Access to Fully Substituted Oxazoles and Furocoumarins.","The Journal of organic chemistry","2019","84","11","6631","6641","10.1021/acs.joc.9b00096","","","1.5418","CuKα","","0.0626","0.0453","","","0.1389","0.1473","","","","","","1.179","","","","has coordinates","223109","2020-10-21","18:00:00",""
"4034633","23.969","0.0012","8.5622","0.0004","19.4153","0.0009","90","","128.055","0.001","90","","3137.5","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C152 H128 N32 -","8","1","","Li, Na; Bai, Jinku; Zheng, Xiaolin; Rao, Honghua","Formation of Methylene Linkage for N-Heterocycles: Sequential C-H and C-O Bond Functionalization of Methanol with Cosolvent Water.","The Journal of organic chemistry","2019","84","11","6928","6939","10.1021/acs.joc.9b00729","","","0.71073","MoKα","","0.1009","0.0743","","","0.2006","0.2205","","","","","","1.042","","","","has coordinates","223110","2020-10-21","18:00:00",""
"4034634","9.3487","0.0015","10.2759","0.0016","14.892","0.002","77.916","0.002","79.1443","0.0019","89.242","0.002","1373.4","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H35 B F4 N P S -","- C29 H35 B F4 N P S -","- C58 H70 B2 F8 N2 P2 S2 -","2","1","","Heiss, Tyler K.; Prescher, Jennifer A.","Cyclopropeniminium Ions Exhibit Unique Reactivity Profiles with Bioorthogonal Phosphines.","The Journal of organic chemistry","2019","84","11","7443","7448","10.1021/acs.joc.9b00518","","","0.71073","MoKα","","0.0557","0.0465","","","0.1175","0.1232","","","","","","1.026","","","","has coordinates","223111","2020-10-21","18:00:00",""
"4034635","9.02944","0.00009","10.3803","0.0002","23.2249","0.0002","90","","90","","90","","2176.83","0.05","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-N,N-dimethyl-1-(2-phenylferrocenyl)ethan-1-amine - phenol (1/1)","","- C26 H29 Fe N O -","- C26 H29 Fe N O -","- C104 H116 Fe4 N4 O4 -","4","1","","Plevová, Kristína; Mudráková, Brigita; Rakovský, Erik; Šebesta, Radovan","Diastereoselective Pd-Catalyzed C-H Arylation of Ferrocenylmethanamines with Arylboronic Acids or Pinacol Esters.","The Journal of organic chemistry","2019","84","11","7312","7319","10.1021/acs.joc.9b00953","","","1.54186","CuKα","","0.0309","0.0292","","","0.0699","0.0713","","","","","","1.043","","","","has coordinates","223112","2020-10-21","18:00:00",""
"4034636","12.3322","0.0006","9.6323","0.0005","21.0939","0.001","90","","91.129","0.003","90","","2505.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O5 -","- C32 H28 O5 -","- C128 H112 O20 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.0721","0.0469","","","0.1032","0.1154","","","","","","1.022","","","","has coordinates","223113","2020-10-21","18:00:00",""
"4034637","14.3284","0.0006","16.2797","0.0008","21.9001","0.001","90","","92.092","0.004","90","","5105.1","0.4","100.2","0.9","100.2","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N0 O5 -","- C34 H28 O5 -","- C272 H224 O40 -","8","2","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.2598","0.2366","","","0.5669","0.5761","","","","","","1.101","","","","has coordinates","223114","2020-10-21","18:00:00",""
"4034638","10.8152","0.0018","18.697","0.003","12.86","0.002","90","","96.46","0.003","90","","2583.9","0.7","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cl2 N4 O2 -","- C30 H22 Cl2 N4 O2 -","- C120 H88 Cl8 N16 O8 -","4","1","","Li, Ming; Li, Wei; Lin, Cheng-Dong; Wang, Jia-Hui; Wen, Li-Rong","One Base for Two Shots: Metal-Free Substituent-Controlled Synthesis of Two Kinds of Oxadiazine Derivatives from Alkynylbenziodoxolones and Amidoximes.","The Journal of organic chemistry","2019","84","11","6904","6915","10.1021/acs.joc.9b00659","","","0.71073","MoKα","","0.0601","0.0546","","","0.1111","0.1142","","","","","","1.169","","","","has coordinates","223115","2020-10-21","18:00:00",""
"4034639","12.8072","0.0007","6.0525","0.0004","16.8346","0.0009","90","","91.053","0.005","90","","1304.72","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","x-ray","1.54184","CuKα","","0.0466","0.0428","","","0.111","0.1147","","","","","","1.032","","","","has coordinates","223116","2020-10-21","18:00:00",""
"4034640","11.1472","0.0003","8.8578","0.0002","14.7757","0.0004","90","","101.894","0.003","90","","1427.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl3 N2 O -","- C13 H13 Cl3 N2 O -","- C52 H52 Cl12 N8 O4 -","4","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","","0.71073","MoKα","","0.0426","0.0325","","","0.0686","0.0733","","","","","","1.052","","","","has coordinates","223117","2020-10-21","18:00:00",""
"4034641","8.5663","0.0004","9.2482","0.0004","10.8111","0.0005","105.441","0.004","113.046","0.004","97.005","0.004","734.57","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl3 N2 O3 -","- C13 H13 Cl3 N2 O3 -","- C26 H26 Cl6 N4 O6 -","2","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","","0.71073","MoKα","","0.0255","0.0232","","","0.054","0.0553","","","","","","1.07","","","","has coordinates","223118","2020-10-21","18:00:00",""
"4034642","7.5047","0.0003","9.2211","0.0004","11.4499","0.0006","90.884","0.004","103.956","0.004","95.264","0.004","765.14","0.06","114","2","114","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C36 H34 F2 N4 O2 -","2","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","x-ray","1.54184","CuKα","","0.0497","0.0411","","","0.1097","0.1156","","","","","","1.07","","","","has coordinates","223119","2020-10-21","18:00:00",""
"4034643","6.5779","0.0009","11.3665","0.0014","12.6177","0.0018","64.977","0.013","78.727","0.012","84.893","0.011","838.3","0.2","292.87","0.1","292.87","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 I N2 O2 -","- C18 H15 I N2 O2 -","- C36 H30 I2 N4 O4 -","2","1","","Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai","Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones.","The Journal of organic chemistry","2019","84","11","6946","6961","10.1021/acs.joc.9b00733","","","0.71073","MoKα","","0.0924","0.0593","","","0.1363","0.1671","","","","","","1.084","","","","has coordinates","223120","2020-10-21","18:00:00",""
"4034644","17.28","0.004","7.0153","0.0011","7.3724","0.001","90","","102.57","0.02","90","","872.3","0.3","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai","Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones.","The Journal of organic chemistry","2019","84","11","6946","6961","10.1021/acs.joc.9b00733","","","0.71073","MoKα","","0.0476","0.0442","","","0.1112","0.1152","","","","","","1.103","","","","has coordinates","223121","2020-10-21","18:00:00",""
"4034645","8.3012","0.0003","11.343","0.0004","13.0055","0.0005","93.515","0.002","103.769","0.002","110.518","0.002","1099.77","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N O4 P S -","- C25 H20 N O4 P S -","- C50 H40 N2 O8 P2 S2 -","2","1","","Deng, Chun-Lin; Bard, Jeremy P.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Naphtho[2,1- e]-1,2-azaphosphorine 2-Oxide Derivatives: Synthesis, Optoelectronic Properties, and Self-Dimerization Phenomena.","The Journal of organic chemistry","2019","84","12","8131","8139","10.1021/acs.joc.9b00994","","","1.54178","CuKα","","0.0424","0.037","","","0.0993","0.1039","","","","","","1.029","","","","has coordinates","223122","2020-10-21","18:00:00",""
"4034646","12.7196","0.0006","14.8501","0.0007","15.4304","0.0007","117.135","0.003","106.977","0.003","94.402","0.004","2404.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cl3 N2 O2 P -","- C25 H17 N2 O2 P -","- C100 H68 N8 O8 P4 -","4","2","","Deng, Chun-Lin; Bard, Jeremy P.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Naphtho[2,1- e]-1,2-azaphosphorine 2-Oxide Derivatives: Synthesis, Optoelectronic Properties, and Self-Dimerization Phenomena.","The Journal of organic chemistry","2019","84","12","8131","8139","10.1021/acs.joc.9b00994","","","1.54178","CuKα","","0.1241","0.1027","","","0.2856","0.3052","","","","","","1.115","","","","has coordinates","223123","2020-10-21","18:00:00",""
"4034647","9.2466","0.0002","18.4489","0.0005","20.5607","0.0005","104.176","0.002","99.4171","0.0019","94.7816","0.0019","3326.75","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C177 H123 F9 O33 S3 -","- C177 H123 F9 O33 S3 -","- C177 H123 F9 O33 S3 -","1","0.5","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","A Protonated Quinone Methide Stabilized by a Combination of Partial Aromatization and π-Interaction: Spectroscopic and Crystallographic Analysis.","The Journal of organic chemistry","2019","84","12","8284","8288","10.1021/acs.joc.9b00923","","","0.71073","MoKα","","0.0528","0.0419","","","0.1183","0.1288","","","","","","1.019","","","","has coordinates,has disorder","223124","2020-10-21","18:00:00",""
"4034648","7.9839","0.0004","9.8531","0.0004","15.2245","0.0007","72.988","0.004","89.602","0.004","80.801","0.004","1129.51","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","1","0.5","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","A Protonated Quinone Methide Stabilized by a Combination of Partial Aromatization and π-Interaction: Spectroscopic and Crystallographic Analysis.","The Journal of organic chemistry","2019","84","12","8284","8288","10.1021/acs.joc.9b00923","","","0.71073","MoKα","","0.0636","0.0479","","","0.1066","0.1158","","","","","","1.039","","","","has coordinates,has disorder","223125","2020-10-21","18:00:00",""
"4034649","8.8449","0.0004","18.7623","0.0008","11.3664","0.0005","90","","95.801","0.001","90","","1876.6","0.14","273","0.2","273","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H19 Cl N4 O3 S -","- C17 H19 Cl N4 O3 S -","- C68 H76 Cl4 N16 O12 S4 -","4","2","","Hajra, Saumen; Abu Saleh, S. K.; Hazra, Atanu; Singh, Maya Shankar","Organocatalytic Domino Reaction of Spiroaziridine Oxindoles and Malononitrile for the Enantiopure Synthesis of Spiro[dihydropyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2019","84","12","8194","8201","10.1021/acs.joc.9b01226","","","0.71073","MoKα","","0.0343","0.0339","","","0.0886","0.089","","","","","","1.048","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034650","9.1234","0.0001","16.3488","0.0001","37.5189","0.0003","90","","90","","90","","5596.19","0.08","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O3 -","- C33 H39 N O3 -","- C264 H312 N8 O24 -","8","2","","Yang, Guo-Hui; Zhao, Qun; Zhang, Zhi-Pei; Zheng, Han-Liang; Chen, Li; Li, Xin","Asymmetric Cycloaddition of ortho-Hydroxyphenyl-Substituted para-Quinone Methides and Enamides Catalyzed by Chiral Phosphoric Acid.","The Journal of organic chemistry","2019","84","12","7883","7893","10.1021/acs.joc.9b00749","","x-ray","1.54184","CuKα","","0.0382","0.0355","","","0.0937","0.0958","","","","","","1.046","","","","has coordinates","223127","2020-10-21","18:00:00",""
"4034651","9.7016","0.0003","11.9655","0.0003","20.8347","0.0006","90","","90","","90","","2418.59","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O2 S -","- C26 H37 N O2 S -","- C104 H148 N4 O8 S4 -","4","1","","Kikuchi, Yuki; Nakamura, Chisato; Matsuoka, Mizuki; Asami, Rina; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Sulfonamides through Chiral Palladium-Catalyzed N-Allylation.","The Journal of organic chemistry","2019","84","12","8112","8120","10.1021/acs.joc.9b00989","","","0.71073","MoKα","","0.0345","0.0299","","","0.0766","0.08","","","","","","1.06","","","","has coordinates","223128","2020-10-21","18:00:00",""
"4034652","8.433","0.0005","10.8448","0.0006","12.9749","0.0008","90","","90","","90","","1186.61","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0474","0.0379","","","0.085","0.0904","","","","","","0.914","","","","has coordinates","223129","2020-10-21","18:00:00",""
"4034653","16.7645","0.0009","7.1009","0.0004","15.2474","0.0008","90","","108.694","0.006","90","","1719.34","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O4 -","- C19 H16 N4 O4 -","- C76 H64 N16 O16 -","4","1","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0946","0.0643","","","0.1551","0.1719","","","","","","1.022","","","","has coordinates","223130","2020-10-21","18:00:00",""
"4034654","13.0333","0.0003","6.8004","0.0002","17.1688","0.0004","90","","90","","90","","1521.7","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","0.5","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0421","0.0377","","","0.0935","0.0965","","","","","","1.073","","","","has coordinates","223131","2020-10-21","18:00:00",""
"4034655","8.7124","0.0004","28.1168","0.001","15.7854","0.0005","90","","94.165","0.004","90","","3856.7","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H33 Cl2 F2 N7 O2 Pd -","- C43 H33 Cl2 F2 N7 O2 Pd -","- C172 H132 Cl8 F8 N28 O8 Pd4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0644","0.0471","","","0.0987","0.1102","","","","","","1.043","","","","has coordinates","223132","2020-10-21","18:00:00",""
"4034656","3.9295","0.0004","18.2181","0.0016","10.247","0.001","90","","97.12","0.009","90","","727.91","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.33 H8 N2.67 S1.33 -","- C9.33333 H8 N2.66667 S1.33333 -","- C28 H24 N8 S4 -","3","0.75","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0867","0.0734","","","0.1698","0.1772","","","","","","1.156","","","","has coordinates","223133","2020-10-21","18:00:00",""
"4034657","20.8007","0.0015","14.1869","0.0011","15.5305","0.0014","90","","92.242","0.008","90","","4579.5","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 F2 N6 O2 Pd -","- C45 H30 F2 N6 O2 Pd -","- C180 H120 F8 N24 O8 Pd4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","","0.71073","MoKα","","0.0957","0.065","","","0.1926","0.2454","","","","","","1.08","","","","has coordinates","223134","2020-10-21","18:00:00",""
"4034658","8.2188","0.0005","19.2559","0.0009","6.6689","0.0004","90","","90","","90","","1055.42","0.1","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C32 H20 Cl4 F12 N4 O8 S4 -","8","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.044","0.0369","","","0.088","0.0941","","","","","","1.107","","","","has coordinates","223135","2020-10-21","18:00:00",""
"4034659","11.2985","0.0015","6.4748","0.0009","15.103","0.002","90","","104.709","0.015","90","","1068.7","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.1298","0.0705","","","0.141","0.186","","","","","","1.058","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034660","7.4999","0.0002","10.9169","0.0006","14.4193","0.0007","78.395","0.004","81.878","0.003","82.656","0.003","1138.82","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F5 N S -","- C12 H6 F5 N S -","- C48 H24 F20 N4 S4 -","4","2","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0637","0.0544","","","0.1629","0.1755","","","","","","1.073","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034661","11.3033","0.0007","10.9964","0.0007","17.009","0.001","90","","106.577","0.002","90","","2026.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C84 H80 N8 O16 S4 -","4","1","","Qiu, Jiashen; Wu, Di; Yuan, Lexia; Long, Pingliang; Yin, Hongquan; Chen, Fu-Xue","Organocatalyzed Asymmetric α-Thiocyanation of Oxindoles: Synthesis of Chiral Tertiary 3-Thiocyanatoxindoles.","The Journal of organic chemistry","2019","84","12","7917","7926","10.1021/acs.joc.9b00782","","","0.71073","MoKα","","0.0441","0.0378","","","0.1048","0.1114","","","","","","1.034","","","","has coordinates","223138","2020-10-21","18:00:00",""
"4034662","8.6581","0.001","9.964","0.0012","23.395","0.003","90","","90","","90","","2018.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl N2 O3 S -","- C20 Cl N2 O3 S -","- C80 Cl4 N8 O12 S4 -","4","1","","Qiu, Jiashen; Wu, Di; Yuan, Lexia; Long, Pingliang; Yin, Hongquan; Chen, Fu-Xue","Organocatalyzed Asymmetric α-Thiocyanation of Oxindoles: Synthesis of Chiral Tertiary 3-Thiocyanatoxindoles.","The Journal of organic chemistry","2019","84","12","7917","7926","10.1021/acs.joc.9b00782","","","0.71073","MoKα","","0.0614","0.0539","","","0.1548","0.1666","","","","","","1.097","","","","has coordinates","223139","2020-10-21","18:00:00",""
"4034663","7.3636","0.0008","8.0204","0.0009","18.386","0.002","90.452","0.002","94.406","0.002","105.314","0.002","1043.8","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 S3 -","- C10 H8 S3 -","- C40 H32 S12 -","4","2","","Xu, Hong-Hui; Zhang, Xiao-Hong; Zhang, Xing-Guo","Copper-Catalyzed Tandem Sulfuration/Annulation of Propargylamines with Sulfur via C-N Bond Cleavage.","The Journal of organic chemistry","2019","84","12","7894","7900","10.1021/acs.joc.9b00685","","","0.71073","MoKα","","0.0587","0.0364","","","0.0884","0.1006","","","","","","1.03","","","","has coordinates","223140","2020-10-21","18:00:00",""
"4034664","19.2701","0.0014","8.2426","0.0006","20.874","0.0016","90","","115.56","0.002","90","","2991.1","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 N7 O3 Pd S -","- C32 H35 N7 O3 Pd S -","- C128 H140 N28 O12 Pd4 S4 -","4","1","","Wisniewski, Steven R.; Savage, Scott A.; Romero, Evan O.; Eastgate, Martin D.; Tan, Yichen; Simmons, Eric M.; Plata, R. Erik; Sowa, Jr, John R; Blackmond, Donna G.","Utilizing Native Directing Groups: Mechanistic Understanding of a Direct Arylation Leads to Formation of Tetracyclic Heterocycles via Tandem Intermolecular, Intramolecular C-H Activation.","The Journal of organic chemistry","2019","84","12","7961","7970","10.1021/acs.joc.9b00823","","x-ray","0.71073","MoKα","","0.0749","0.0489","","","0.1258","0.1423","","","","","","1.042","","","","has coordinates","223141","2020-10-21","18:00:00",""
"4034665","15.447","0.003","4.7022","0.0009","16.247","0.003","90","","103.12","0.03","90","","1149.3","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Zhang, Wei; Pan, Yu-Liang; Yang, Chen; Chen, Li; Li, Xin; Cheng, Jin-Pei","Metal-Free Direct C-H Cyanoalkylation of Quinoxalin-2(1 H)-Ones by Organic Photoredox Catalysis.","The Journal of organic chemistry","2019","84","12","7786","7795","10.1021/acs.joc.9b00657","","","0.71073","MoKα","","0.0551","0.0437","","","0.1281","0.1393","","","","","","1.072","","","","has coordinates","223142","2020-10-21","18:00:00",""
"4034666","7.3559","0.0003","15.3767","0.0004","9.9606","0.0004","90","","109.59","0.004","90","","1061.42","0.07","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Chiral Bifunctional Amine-Squaramide-Catalyzed Highly Diastereo- and Enantioselective Michael/Aldol Cascade Reaction of 2-Mercaptobenzaldehyde and α,β-Unsaturated 7-Azaindoline Amides.","The Journal of organic chemistry","2019","84","12","7984","7994","10.1021/acs.joc.9b00837","","","0.71073","MoKα","","0.0468","0.037","","","0.0835","0.0886","","","","","","1.022","","","","has coordinates","223143","2020-10-21","18:00:00",""
"4034667","9.2446","0.0002","11.9262","0.0002","20.0912","0.0004","90","","90","","90","","2215.11","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O2 -","- C26 H22 Br N3 O2 -","- C104 H88 Br4 N12 O8 -","4","1","","Yang, Xiao-Chao; Liu, Meng-Meng; Mathey, François; Yang, Hua; Hua, Yuan-Zhao; Wang, Min-Can","Access to Chiral 2,5-Pyrrolidinyl Dispirooxindoles via Dinuclear Zinc-Catalyzed Asymmetric Cascade Reactions.","The Journal of organic chemistry","2019","84","12","7762","7775","10.1021/acs.joc.9b00645","","x-ray","1.54184","CuKα","","0.0348","0.0317","","","0.0799","0.0824","","","","","","1.038","","","","has coordinates","223144","2020-10-21","18:00:00",""
"4034668","7.8472","0.0002","13.1693","0.0004","15.6331","0.0004","65.377","0.003","82.399","0.003","87.32","0.003","1455.69","0.08","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N6 O2 -","- C34 H40 N6 O2 -","- C68 H80 N12 O4 -","2","1","","Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.","Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.","The Journal of organic chemistry","2019","84","12","7804","7814","10.1021/acs.joc.9b00603","","","1.54184","CuKα","","0.0403","0.036","","","0.0917","0.0953","","","","","","1.041","","","","has coordinates","223145","2020-10-21","18:00:00",""
"4034669","19.1887","0.0003","7.82212","0.00014","43.4449","0.0007","90","","93.6972","0.0014","90","","6507.35","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 B2 F4 N6 O2 -","- C34 H38 B2 F4 N6 O2 -","- C272 H304 B16 F32 N48 O16 -","8","4","","Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.","Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.","The Journal of organic chemistry","2019","84","12","7804","7814","10.1021/acs.joc.9b00603","","","1.54184","CuKα","","0.0377","0.0357","","","0.0924","0.0941","","","","","","1.028","","","","has coordinates,has disorder","223145","2020-10-21","18:00:00",""
"4034670","8.7072","0.0001","15.9416","0.0002","18.7685","0.0003","90","","90","","90","","2605.19","0.06","170","2","169.91","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C120 H140 N4 O12 -","4","1","","Wang, Jin-Rong; Jiang, Xiao-Li; Hang, Qing-Qing; Zhang, Shu; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Conjugate Addition of Indoles to para-Quinone Methide Derivatives.","The Journal of organic chemistry","2019","84","12","7829","7839","10.1021/acs.joc.9b00710","","","1.34139","GaKα","","0.0401","0.0349","","","0.0821","0.0858","","","","","","1.07","","","","has coordinates","223146","2020-10-21","18:00:00",""
"4034671","9.206","0.007","10.422","0.009","13.489","0.011","70.7","0.03","86.07","0.03","64.49","0.04","1098.2","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-(1S,3R,6R)-7,9-Dimethoxy-5,6-dimethyl-1,3-diphenyl-1,3,4,6-tetrahydroindeno[7,1-cd]oxepine","","- C28 H28 O3 -","- C28 H28 O3 -","- C56 H56 O6 -","2","1","","Mahesh, S. K.; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","Tandem Addition/Electrocyclization/Benzylation of Alkyl Aryl-1,3-dienes and Aromatic Aldehydes: Access to Highly Substituted Indenes.","The Journal of organic chemistry","2019","84","12","7815","7828","10.1021/acs.joc.9b00679","","","0.71073","MoKα","","0.0674","0.052","","","0.1573","0.1722","","","","","","1.243","","","","has coordinates","223147","2020-10-21","18:00:00",""
"4034672","7.8869","0.0004","9.3365","0.0005","19.477","0.0011","81.863","0.002","80.9818","0.0017","65.5329","0.0017","1284.59","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±)-(1S,3R,6R)-1,3-Bis(2,6-dichlorophenyl)-7,9-dimethoxy-5,6-dimethyl-1,3,4,6-tetrahydroindeno[7,1-cd]oxepine","","- C28 H24 Cl4 O3 -","- C28 H24 Cl4 O3 -","- C56 H48 Cl8 O6 -","2","1","","Mahesh, S. K.; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","Tandem Addition/Electrocyclization/Benzylation of Alkyl Aryl-1,3-dienes and Aromatic Aldehydes: Access to Highly Substituted Indenes.","The Journal of organic chemistry","2019","84","12","7815","7828","10.1021/acs.joc.9b00679","","","0.71073","MoKα","","0.1044","0.0593","","","0.1451","0.1678","","","","","","1.024","","","","has coordinates","223148","2020-10-21","18:00:00",""
"4034673","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","223149","2020-10-21","18:00:00",""
"4034674","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","223150","2020-10-21","18:00:00",""
"4034675","6.6417","0.0003","10.7582","0.0005","22.9878","0.0011","90","","90","","90","","1642.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23.76 Cl0.24 O5 -","- C19 H23.757 Cl0.243 O5 -","- C76 H95.028 Cl0.972 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0351","0.0336","","","0.0822","0.0831","","","","","","1.002","","","","has coordinates,has disorder","223151","2020-10-21","18:00:00",""
"4034676","8.4827","0.0002","11.6842","0.0003","20.2986","0.0005","90","","93.727","0.002","90","","2007.61","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Thorve, Pradip Ramdas; Guru, Murali Mohan; Maji, Biplab","Manganese-Catalyzed Divergent Markovnikov Addition and [2+2+2] Cycloaddition of 2-Carbonyl Indanone with Terminal Alkyne.","The Journal of organic chemistry","2019","84","12","8185","8193","10.1021/acs.joc.9b01173","","x-ray","0.71073","MoKα","","0.052","0.0444","","","0.1033","0.1074","","","","","","1.069","","","","has coordinates","223152","2020-10-21","18:00:00",""
"4034677","10.06","0.009","19.154","0.018","10.988","0.01","90","","92.904","0.012","90","","2115","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 S2 -","- C23 H20 N2 O2 S2 -","- C92 H80 N8 O8 S8 -","4","1","","Xiao, Xinsheng; Huang, Sanping; Tang, Shanshan; Jia, Guokai; Ou, Guangchuan; Li, Yangyan","Ligand-Free, Quinoline N-Assisted Copper-Catalyzed Nitrene Transfer Reaction To Synthesize 8-Quinolylsulfimides.","The Journal of organic chemistry","2019","84","12","7618","7629","10.1021/acs.joc.9b00281","","","0.71073","MoKα","","0.088","0.0447","","","0.1237","0.1599","","","","","","1.07","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034678","10.6007","0.0003","11.6604","0.0003","12.0513","0.0003","108.277","0.001","103.559","0.0012","92.6408","0.001","1363.48","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O3 S -","- C32 H32 N2 O3 S -","- C64 H64 N4 O6 S2 -","2","1","","Rajasekar, Shanmugam; Anbarasan, Pazhamalai","One-Pot Transannulation of N-Sulfonyl-1,2,3-triazoles to Dihydro-β-carbolines and Dihydroisoquinolines via Rhodium-Catalyzed C-H Insertion-cum-Base-Mediated Aza-Michael Reaction.","The Journal of organic chemistry","2019","84","12","7747","7761","10.1021/acs.joc.9b00644","","x-ray","0.71073","MoKα","","0.06","0.0414","","","0.1007","0.1123","","","","","","1.041","","","","has coordinates","223154","2020-10-21","18:00:00",""
"4034679","16.0521","0.0004","8.5382","0.0002","20.395","0.0005","90","","112.092","0.001","90","","2590.03","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O4 S -","- C29 H28 N2 O4 S -","- C116 H112 N8 O16 S4 -","4","1","","Rajasekar, Shanmugam; Anbarasan, Pazhamalai","One-Pot Transannulation of N-Sulfonyl-1,2,3-triazoles to Dihydro-β-carbolines and Dihydroisoquinolines via Rhodium-Catalyzed C-H Insertion-cum-Base-Mediated Aza-Michael Reaction.","The Journal of organic chemistry","2019","84","12","7747","7761","10.1021/acs.joc.9b00644","","","0.71073","MoKα","","0.0772","0.0512","","","0.1246","0.1463","","","","","","1.029","","","","has coordinates","223155","2020-10-21","18:00:00",""
"4034680","30.464","0.003","10.2578","0.0011","10.0765","0.001","90","","90","","90","","3148.8","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C65 H8 O2 -","- C65 H8 O2 -","- C260 H32 O8 -","4","1","","Li, Dan; Li, Zong-Jun; He, Fa-Gui; Geng, Chao; Gao, Xiang","Synthesizing 1,23-C60 Adducts with Improved Efficiency: A Type of Stable and Highly Soluble C60 Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02272","","","0.71073","MoKα","","0.1386","0.0533","","","0.1023","0.1323","","","","","","0.733","","","","has coordinates","223264","2020-10-21","18:00:00",""
"4034681","14.35","0.0014","17.5032","0.0017","20.228","0.002","73.507","0.002","87.844","0.002","85.918","0.002","4858.5","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H30 O8 S2 -","- C79 H30 O8 S2 -","- C316 H120 O32 S8 -","4","2","","Li, Dan; Li, Zong-Jun; He, Fa-Gui; Geng, Chao; Gao, Xiang","Synthesizing 1,23-C60 Adducts with Improved Efficiency: A Type of Stable and Highly Soluble C60 Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02272","","","0.71073","MoKα","","0.1993","0.1249","","","0.3221","0.3727","","","","","","1.173","","","","has coordinates","223265","2020-10-21","18:00:00",""
"4034682","9.6177","0.0019","11.43","0.002","13.27","0.003","90","","90.27","0.03","90","","1458.8","0.5","113","2","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O7 -","- C15 H13 N O7 -","- C60 H52 N4 O28 -","4","1","","Shen, Hui-Jie; Duan, Ya-Nan; Zheng, Ke; Zhang, Chi","Redetermination of the Structure of a Water-Soluble Hypervalent Iodine(V) Reagent AIBX and Its Synthetic Utility in the Oxidation of Alcohols and Synthesis of Isoxazoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02328","","","0.71073","MoKα","","0.0668","0.0415","","","0.0936","0.1184","","","","","","0.93","","","","has coordinates","223380","2020-10-21","18:00:00",""
"4034683","7.3732","0.0007","9.8713","0.0009","13.3675","0.0012","99.627","0.002","97.603","0.002","102.719","0.003","921.11","0.15","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Zhou, Peng; Yang, Wei-Tao; Rahman, Anis Ur; Li, Guigen; Jiang, Bo","Rh(III)-Catalyzed [3 + 3] Annulation Reaction of Cyclopropenones and Sulfoxonium Ylides toward Trisubstituted 2-Pyrones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02253","","","0.71073","MoKα","","0.0873","0.0499","","","0.1028","0.1134","","","","","","1.076","","","","has coordinates","223430","2020-10-21","18:00:00",""
"4034684","12.6714","0.0004","6.1189","0.0002","24.3445","0.0008","90","","98.6402","0.0013","90","","1866.13","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Manoharan, Ramasamy; Logeswaran, Ravichandran; Jeganmohan, Masilamani","Ru(II)- or Rh(III)-Catalyzed Difunctionalization of Alkenes by Tandem Cyclization of N-Aryl Acrylamides with Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02527","","","0.71073","MoKα","","0.0537","0.0405","","","0.0976","0.1084","","","","","","1.033","","","","has coordinates","223431","2020-10-21","18:00:00",""
"4034685","8.9275","0.0005","10.3757","0.0007","21.3167","0.0013","90","","90","","90","","1974.5","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Manoharan, Ramasamy; Logeswaran, Ravichandran; Jeganmohan, Masilamani","Ru(II)- or Rh(III)-Catalyzed Difunctionalization of Alkenes by Tandem Cyclization of N-Aryl Acrylamides with Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02527","","","0.71073","MoKα","","0.0719","0.044","","","0.0837","0.0975","","","","","","1.02","","","","has coordinates","223432","2020-10-21","18:00:00",""
"4034686","8.9419","0.0003","28.4755","0.0006","9.9467","0.0003","90","","116.669","0.004","90","","2263.24","0.14","294.53","0.1","294.53","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Y2","","- C31 H22 N O3 -","- C30 H22 N2 O3 -","- C120 H88 N8 O12 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0452","0.0402","","","0.102","0.1075","","","","","","1.049","","","","has coordinates","224704","2020-10-21","18:00:00",""
"4034687","8.1949","0.0005","8.5852","0.0005","10.9177","0.0007","79.529","0.005","87.131","0.005","85.915","0.005","752.86","0.08","296.2","0.4","296.2","0.4","","","","","","","","4","P -1","-P 1","2","","y2","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0481","0.0397","","","0.1003","0.1084","","","","","","1.027","","","","has coordinates","224706","2020-10-21","18:00:00",""
"4034688","18.544","0.0004","11.7459","0.0004","14.8965","0.0004","90","","93.306","0.002","90","","3239.3","0.16","294.8","0.4","294.8","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Y2","","- C19 H12 F3 N O3 -","- C19 H12 F3 N O3 -","- C152 H96 F24 N8 O24 -","8","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0615","0.0514","","","0.1482","0.1588","","","","","","1.081","","","","has coordinates","224708","2020-10-21","18:00:00",""
"4034689","17.301","0.0004","7.8804","0.0002","12.3166","0.0003","90","","93.197","0.002","90","","1676.62","0.07","294.47","0.1","294.47","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Y2","","- C22 H15 N O3 -","- C22 H15 N O3 -","- C88 H60 N4 O12 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.1024","0.1089","","","","","","1.049","","","","has coordinates","224710","2020-10-21","18:00:00",""
"4034690","13.9277","0.0003","14.1983","0.0003","18.4795","0.0004","90","","110.551","0.003","90","","3421.75","0.14","294.41","0.1","294.41","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Y-II-162","","- C38 H34 N2 O8 -","- C2.375 H2.125 N0.125 O0.5 -","- C152 H136 N8 O32 -","64","16","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1201","0.1297","","","","","","1.02","","","","has coordinates","224712","2020-10-21","18:00:00",""
"4034691","7.7017","0.0003","10.8099","0.0005","11.7377","0.0006","115.04","0.005","102.168","0.004","97.486","0.003","838.48","0.08","296.7","0.17","296.7","0.17","","","","","","","","4","P -1","-P 1","2","","Y2","","- C20 H14 N O5 -","- C20 H15 N O5 -","- C40 H30 N2 O10 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0457","0.0427","","","0.1148","0.119","","","","","","1.046","","","","has coordinates","224715","2020-10-21","18:00:00",""
"4034692","7.5278","0.0005","7.5377","0.0005","13.1321","0.0006","98.873","0.004","94.769","0.005","106.281","0.006","700.4","0.08","295.11","0.1","295.11","0.1","","","","","","","","5","P -1","-P 1","2","","116","","- C18 H12 F N O3 -","- C18 H12 F N O3 -","- C36 H24 F2 N2 O6 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0512","0.0488","","","0.128","0.1314","","","","","","1.042","","","","has coordinates","224717","2020-10-21","18:00:00",""
"4034693","7.9444","0.0003","8.8275","0.0004","10.9655","0.0005","78.813","0.004","87.457","0.004","86.807","0.004","752.78","0.06","295.5","0.6","295.5","0.6","","","","","","","","4","P -1","-P 1","2","","1","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.046","0.0435","","","0.115","0.1191","","","","","","1.081","","","","has coordinates","224719","2020-10-21","18:00:00",""
"4034694","5.47677","0.00015","12.5741","0.0004","23.342","0.0006","90","","94.306","0.003","90","","1602.92","0.08","294.54","0.13","294.54","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Y","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0551","0.0431","","","0.1099","0.1213","","","","","","1.036","","","","has coordinates","224721","2020-10-21","18:00:00",""
"4034695","15.3481","0.0006","8.6768","0.0004","21.2841","0.0008","90","","93.94","0.004","90","","2827.8","0.2","294.31","0.15","294.31","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Y2","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C144 H104 N8 O24 -","8","2","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0532","0.0418","","","0.1078","0.1186","","","","","","1.023","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4034696","8.727","0.0007","9.2667","0.0008","12.6797","0.0012","74.37","0.008","72.94","0.008","84.241","0.007","943.79","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","Y2","","- C21 H21 N O3 Si -","- C21 H21 N O3 Si -","- C42 H42 N2 O6 Si2 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0454","0.0383","","","0.0905","0.0962","","","","","","1.066","","","","has coordinates","224725","2020-10-21","18:00:00",""
"4034697","7.704","0.0002","13.0756","0.0004","15.2485","0.0004","90","","91.757","0.003","90","","1535.33","0.07","294.87","0.1","294.87","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","76","","- C19 H13 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.049","0.045","","","0.1156","0.1199","","","","","","1.094","","","","has coordinates","224727","2020-10-21","18:00:00",""
"4034698","7.817","0.0005","8.4933","0.0006","12.0759","0.0007","76.529","0.005","72.019","0.006","89.646","0.006","739.73","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","164","","- C19 H13 N O4 -","- C19 H13 N O4 -","- C38 H26 N2 O8 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.043","0.0366","","","0.0913","0.0974","","","","","","1.035","","","","has coordinates","224729","2020-10-21","18:00:00",""
"4034699","7.1537","0.0001","19.3801","0.0003","20.9999","0.0004","90","","90","","90","","2911.41","0.08","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0694","0.0671","","","0.15","0.1511","","","","","","1.363","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034700","7.2788","0.0002","8.7498","0.0002","13.49","0.0005","81.525","0.002","83.346","0.003","82.899","0.002","839.07","0.04","110","2","110.15","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 N4 O2 -","- C40 H50 N4 O2 -","- C40 H50 N4 O2 -","1","0.5","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0665","0.0425","","","0.1071","0.1228","","","","","","1.055","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034701","6.9887","0.0002","10.3971","0.0002","14.9094","0.0004","72.261","0.002","78.663","0.002","80.202","0.002","1004.63","0.05","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 N3 O2 S -","- C22 H13 N3 O2 S -","- C44 H26 N6 O4 S2 -","2","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0431","0.0362","","","0.0971","0.1029","","","","","","1.029","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034702","5.1447","0.0003","9.3119","0.0005","10.5693","0.0005","80.705","0.004","79.917","0.005","89.967","0.005","491.78","0.05","110","2","110.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 S2 -","- C24 H18 N4 S2 -","- C24 H18 N4 S2 -","1","0.5","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","0.71073","MoKα","","0.0773","0.0708","","","0.1907","0.1964","","","","","","1.177","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034703","4.5752","0.0012","22.619","0.006","15.627","0.005","90","","96.157","0.01","90","","1607.9","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 F N4 O2 -","- C20 H11 F N4 O2 -","- C80 H44 F4 N16 O8 -","4","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","","0.71073","MoKα","","0.0409","0.0322","","","0.085","0.0914","","","","","","1.026","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034704","23.1591","0.0006","5.7258","0.0002","7.1647","0.0002","90","","94.102","0.003","90","","947.64","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 2-(4-fluorophenyl)oxazole-4-carboxylate","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C44 H32 F4 N4 O12 -","4","1","","Serebryannikova, Anna V.; Galenko, Ekaterina E.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","Synthesis of Isoxazole- and Oxazole-4-carboxylic Acids Derivatives by Controlled Isoxazole-Azirine-Isoxazole/Oxazole Isomerization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02536","","x-ray","1.54184","CuKα","","0.0414","0.0392","","","0.1017","0.1037","","","","","","1.083","","","","has coordinates","224735","2020-10-21","18:00:00",""
"4034705","13.389","0.0005","15.2225","0.0006","22.965","0.0008","81.3234","0.0012","80.0883","0.0013","70.721","0.0013","4329.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H57 Cl2 N5 O S Si2 -","- C42 H57 Cl2 N5 O S Si2 -","- C168 H228 Cl8 N20 O4 S4 Si8 -","4","2","","Zhao, Kexiang; Yu, Fei; Liu, Wenbo; Huang, Yinjuan; Said, Ahmed Ali; Li, Yang; Zhang, Qichun","Unexpected Synthesis, Properties, and Nonvolatile Memory Device Application of Imidazole-Fused Azaacenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02156","","","0.71073","MoKα","","0.1731","0.0729","","","0.1347","0.1752","","","","","","1.017","","","","has coordinates","225396","2020-10-21","18:00:00",""
"4034706","5.093","0.002","5.618","0.002","11.155","0.005","84.307","0.015","83.682","0.014","78.046","0.015","309.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H3 F2 N O3 -","- C5 H3 F2 N O3 -","- C10 H6 F4 N2 O6 -","2","1","","Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O.","Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02258","","","0.71073","MoKα","","0.0649","0.0432","","","0.1293","0.1517","","","","","","1.04","","","","has coordinates,has disorder","225397","2020-10-21","18:00:00",""
"4034707","17.197","0.003","6.3032","0.0012","14.879","0.003","90","","119.429","0.006","90","","1404.7","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F2 N O3 -","- C6 H5 F2 N O3 -","- C48 H40 F16 N8 O24 -","8","1","","Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O.","Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02258","","","0.71073","MoKα","","0.0485","0.0364","","","0.0867","0.0935","","","","","","1.025","","","","has coordinates","225398","2020-10-21","18:00:00",""
"4034708","7.914","0.004","10.509","0.005","9.039","0.005","90","","105.295","0.011","90","","725.1","0.6","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 F2 N2 O -","- C6 H8 F2 N2 O -","- C24 H32 F8 N8 O4 -","4","1","","Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O.","Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02258","","","0.71073","MoKα","","0.0825","0.0475","","","0.1168","0.14","","","","","","1.074","","","","has coordinates","225399","2020-10-21","18:00:00",""
"4034709","6.08424","0.00009","18.4274","0.0002","28.6542","0.0004","90","","93.835","0.0012","90","","3205.42","0.07","297.2","0.5","297.2","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 N O5 -","- C43 H35 N O5 -","- C172 H140 N4 O20 -","4","1","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","1.54184","CuKα","","0.0814","0.0709","","","0.2067","0.2211","","","","","","1.046","","","","has coordinates","225400","2020-10-21","18:00:00",""
"4034710","24.706","0.01","8.715","0.002","4.1298","0.001","90","","93.86","0.03","90","","887.2","0.5","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H19 N O -","- C25 H19 N O -","- C50 H38 N2 O2 -","2","0.5","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","0.71073","MoKα","","0.1008","0.0928","","","0.2498","0.2722","","","","","","1.09","","","","has coordinates","225401","2020-10-21","18:00:00",""
"4034711","9.7838","0.0009","10.6982","0.0009","12.8472","0.001","79.071","0.007","79.762","0.007","88.94","0.007","1299.1","0.2","297.6","0.5","297.6","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O -","- C36 H25 N O -","- C72 H50 N2 O2 -","2","1","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","1.54184","CuKα","","0.111","0.0796","","","0.2072","0.2315","","","","","","1.051","","","","has coordinates,has disorder","225402","2020-10-21","18:00:00",""
"4034712","9.7491","0.0005","10.3104","0.0005","13.5196","0.0007","82.709","0.004","71.806","0.005","87.816","0.004","1280.57","0.12","291.16","0.1","291.16","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O2 -","- C36 H25 N O2 -","- C72 H50 N2 O4 -","2","1","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","1.54184","CuKα","","0.0692","0.06","","","0.1617","0.1737","","","","","","1.047","","","","has coordinates","225403","2020-10-21","18:00:00",""
"4034713","6.0307","0.0001","16.4179","0.0004","22.933","0.0005","90","","90","","90","","2270.63","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Wan, Qian; Li, Shiwu; Kang, Qiang; Yuan, Yaofeng; Du, Yu","Chiral-at-Metal Rh(III) Complex Catalyzed Cascade Reduction-Michael Addition Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02243","","","1.54184","CuKα","","0.0469","0.0448","","","0.117","0.1194","","","","","","1.073","","","","has coordinates","225404","2020-10-21","18:00:00",""
"4034714","5.8139","0.0001","13.3695","0.0002","12.326","0.0001","90","","91.911","0.001","90","","957.55","0.02","297.01","0.1","297.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N2 O5 -","- C21 H19 N2 O5 -","- C42 H38 N4 O10 -","2","1","","Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.","The Journal of organic chemistry","2018","83","24","15512","15523","10.1021/acs.joc.8b02442","","x-ray","1.54184","CuKα","","0.0423","0.0391","","","0.1028","0.1049","","","","","","1.052","","","","has coordinates","226243","2020-10-21","18:00:00",""
"4034715","23.3389","0.0003","15.1799","0.0002","42.3532","0.0006","90","","102.714","0.002","90","","14637.1","0.4","298.3","1","298.3","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C22 H31 N5 O3 Si -","- C21.5 H28.5 N5 O3 Si -","- C344 H456 N80 O48 Si16 -","16","4","","Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.","The Journal of organic chemistry","2018","83","24","15512","15523","10.1021/acs.joc.8b02442","","x-ray","1.54184","CuKα","","0.1005","0.0872","","","0.275","0.3009","","","","","","1.004","","","","has coordinates","226244","2020-10-21","18:00:00",""
"4034716","6.9849","0.0002","13.9288","0.0004","18.099","0.0006","90","","90","","90","","1760.87","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C72 H64 Br8 N8 O8 -","4","1","","Guo, Lin-E; Hong, Yuan; Zhang, Shu-Ying; Zhang, Miao; Yan, Xiao-Sheng; Cao, Jin-Lian; Li, Zhao; James, Tony D.; Jiang, Yun-Bao","Proline-Based Boronic Acid Receptors for Chiral Recognition of Glucose.","The Journal of organic chemistry","2018","83","24","15128","15135","10.1021/acs.joc.8b02425","","","1.54178","CuKα","","0.0462","0.0435","","","0.1133","0.1167","","","","","","1.058","","","","has coordinates","226245","2020-10-21","18:00:00",""
"4034717","9.625","0.002","11.22","0.003","12.37","0.003","105.068","0.01","103.743","0.009","112.523","0.009","1103.2","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C60 H44 N4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0507","0.0413","","","0.1014","0.1067","","","","","","1.045","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034718","10.0035","0.0006","13.0323","0.0009","13.1608","0.0008","108.315","0.002","107.297","0.002","100.516","0.002","1481.36","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 Cl2 N2 -","- C35 H29 Cl2 N2 -","- C70 H58 Cl4 N4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0985","0.0853","","","0.227","0.2383","","","","","","1.055","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034719","21.1443","0.0009","14.1022","0.0006","15.9946","0.0007","90","","110.27","0.001","90","","4473.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","2","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0711","0.0553","","","0.1712","0.1982","","","","","","0.716","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034720","15.9963","0.0008","15.7038","0.001","13.4664","0.0006","90","","97.196","0.005","90","","3356.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N2 O2 S -","- C40 H36 N2 O2 S -","- C160 H144 N8 O8 S4 -","4","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","1.54184","CuKα","","0.0969","0.0567","","","0.1308","0.1606","","","","","","0.997","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034721","8.7173","0.0004","11.0589","0.0005","13.363","0.0006","84.109","0.001","86.375","0.002","78.641","0.001","1255.12","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O2 S2 -","- C30 H24 N2 O2 S2 -","- C60 H48 N4 O4 S4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0759","0.063","","","0.1792","0.1898","","","","","","1.033","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034722","10.7608","0.0015","11.6326","0.0016","11.9031","0.0016","83.679","0.011","67.103","0.013","65.229","0.014","1243.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","1.54184","CuKα","","0.1308","0.0673","","","0.1322","0.1796","","","","","","1.032","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034723","14.5928","0.0011","8.432","0.0005","25.9668","0.0019","90","","102.539","0.002","90","","3118.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N O4 S -","- C36 H31 N O4 S -","- C144 H124 N4 O16 S4 -","4","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.1746","0.0712","","","0.1193","0.1456","","","","","","1.018","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034724","6.4112","0.0012","8.4234","0.0015","27.491","0.005","90","","90","","90","","1484.6","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Rajesh, Manda; Singam, Maneesh Kumar Reddy; Puri, Surendra; Balasubramanian, Sridhar; Sridhar Reddy, Maddi","Nickel Catalyzed syn-Selective Aryl Nickelation and Cyclization of Aldehyde/Enone-Tethered Terminal Alkynes with Arylboronic Acids.","The Journal of organic chemistry","2018","83","24","15361","15371","10.1021/acs.joc.8b02618","","","0.71073","MoKα","","0.0423","0.0378","","","0.1004","0.1038","","","","","","1.021","","","","has coordinates","226247","2020-10-21","18:00:00",""
"4034725","7.1796","0.0006","7.6864","0.0006","14.4003","0.001","101.655","0.006","95.515","0.006","113.279","0.008","701.13","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 Br2 N2 -","- C15 H8 Br2 N2 -","- C30 H16 Br4 N4 -","2","1","","Wang, Manman; Hou, Jiao; Yu, Wenquan; Chang, Junbiao","Synthesis of 2 H-Azirines via Iodine-Mediated Oxidative Cyclization of Enamines.","The Journal of organic chemistry","2018","83","24","14954","14961","10.1021/acs.joc.8b02022","","x-ray","0.71073","MoKα","","0.0823","0.0457","","","0.0811","0.0954","","","","","","1.013","","","","has coordinates","226248","2020-10-21","18:00:00",""
"4034726","9.663","0.003","14.733","0.004","17.972","0.005","90","","90","","90","","2558.6","1.3","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H9 N O2 S2 -","- C12 H9 N O2 S2 -","- C96 H72 N8 O16 S16 -","8","1","","Hu, Biao; Zhou, Pan; Zhang, Qiaohe; Wang, Yanqin; Zhao, Siyun; Lu, Lingling; Yan, Shengjiao; Yu, Fuchao","Metal-Free Oxidative Thioesterification of Methyl Ketones with Thiols/Disulfides for the Synthesis of α-Ketothioesters.","The Journal of organic chemistry","2018","83","24","14978","14986","10.1021/acs.joc.8b02235","","","0.71073","MoKα","","0.0506","0.0389","","","0.098","0.1077","","","","","","1.043","","","","has coordinates,has disorder","226249","2020-10-21","18:00:00",""
"4034727","18.3985","0.0009","5.7117","0.0002","13.6214","0.0006","90","","106.615","0.001","90","","1371.66","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","1","","Fernandes, Fábio S; Rodrigues, Jr, Manoel T; Zeoly, Lucas A.; Conti, Caroline; Angolini, Célio F F; Eberlin, Marcos Nogueira; Coelho, Fernando","Vinyl-1,2,4-oxadiazoles Behave as Nucleophilic Partners in Morita-Baylis-Hillman Reactions.","The Journal of organic chemistry","2018","83","24","15118","15127","10.1021/acs.joc.8b02402","","","0.71073","MoKα","","0.0556","0.0412","","","0.0993","0.1107","","","","","","1.0608","","","","has coordinates","226250","2020-10-21","18:00:00",""
"4034728","11.472","0.0005","17.9909","0.0009","24.4226","0.0012","90","","90","","90","","5040.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O6 -","- C29 H32 O6 -","- C232 H256 O48 -","8","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.1097","0.0637","","","0.1802","0.2284","","","","","","0.966","","","","has coordinates","226251","2020-10-21","18:00:00",""
"4034729","12.2759","0.0007","11.3397","0.0006","17.9816","0.001","90","","103.251","0.003","90","","2436.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O6 -","- C28 H30 O6 -","- C112 H120 O24 -","4","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.0703","0.0521","","","0.1435","0.159","","","","","","1.084","","","","has coordinates","226252","2020-10-21","18:00:00",""
"4034730","7.3532","0.0013","12.219","0.002","15.266","0.003","97.16","0.012","90.233","0.011","90.152","0.012","1360.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","2","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.0919","0.052","","","0.1419","0.1732","","","","","","0.954","","","","has coordinates","226253","2020-10-21","18:00:00",""
"4034731","22.2566","0.0014","5.727","0.0003","19.7415","0.0014","90","","107.042","0.007","90","","2405.8","0.3","145","2","145","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","0.5","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0493","0.0433","","","0.1091","0.1138","","","","","","1.053","","","","has coordinates","226254","2020-10-21","18:00:00",""
"4034732","9.5738","0.0002","7.0069","0.0002","18.4103","0.0004","90","","102.979","0.001","90","","1203.46","0.05","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","0.5","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0429","0.0358","","","0.086","0.091","","","","","","1.043","","","","has coordinates","226255","2020-10-21","18:00:00",""
"4034733","7.1205","0.0012","12.529","0.002","15.466","0.003","78.066","0.011","78.089","0.011","78.347","0.01","1302.5","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.1145","0.0546","","","0.1293","0.1592","","","","","","1.011","","","","has coordinates","226256","2020-10-21","18:00:00",""
"4034734","12.2607","0.0003","12.6818","0.0002","22.525","0.0007","90","","95.797","0.002","90","","3484.45","0.15","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N3 O7 S -","- C39 H37 N3 O7 S -","- C156 H148 N12 O28 S4 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","1.54184","CuKα","","0.0527","0.0405","","","0.1003","0.1096","","","","","","1.024","","","","has coordinates","226257","2020-10-21","18:00:00",""
"4034735","15.8188","0.0003","10.00924","0.00019","18.044","0.0004","90","","101.411","0.0019","90","","2800.51","0.1","149","1","149","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C140 H144 N8 O16 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","1.54184","CuKα","","0.0583","0.0516","","","0.1423","0.1478","","","","","","1.042","","","","has coordinates","226258","2020-10-21","18:00:00",""
"4034736","8.2269","0.0003","10.6619","0.0003","14.678","0.0004","86.377","0.002","75.857","0.002","85.172","0.002","1242.81","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0522","0.0391","","","0.0914","0.0997","","","","","","1.014","","","","has coordinates","226259","2020-10-21","18:00:00",""
"4034737","25.0644","0.0008","18.8372","0.0007","13.6807","0.0005","90","","100.82","0.004","90","","6344.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Cl2 N2 O5 -","- C33 H24 Cl2 N2 O5 -","- C264 H192 Cl16 N16 O40 -","8","1","","Marra, Isabellar F. S.; de Almeida, Angelina M.; Silva, Larissa P.; de Castro, Pedro P.; Corrêa, Charlane C; Amarante, Giovanni Wilson","Stereoselective Intermolecular [2 + 2] Cycloadditions of Erlenmeyer-Plöchl Azlactones Using Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2018","83","24","15144","15154","10.1021/acs.joc.8b02430","","x-ray","1.54184","CuKα","","0.0889","0.0675","","","0.1845","0.2117","","","","","","1.066","","","","has coordinates","226260","2020-10-21","18:00:00",""
"4034738","8.41559","0.00015","20.3317","0.0004","21.2577","0.0004","90","","90","","90","","3637.26","0.12","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H15 Cl3 F6 O10 S4 -","- C32 H15 Cl3 F6 O10 S4 -","- C128 H60 Cl12 F24 O40 S16 -","4","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","[1]Benzothiophene-Fused Chiral Spiro Polycyclic Aromatic Compounds: Optical Resolution, Functionalization, and Optical Properties.","The Journal of organic chemistry","2018","83","24","15057","15065","10.1021/acs.joc.8b02301","","","1.54187","CuKα","","0.0423","0.0409","","","0.109","0.1105","","","","","","1.047","","","","has coordinates","226261","2020-10-21","18:00:00",""
"4034739","12.3898","0.0003","8.3356","0.0002","29.3057","0.0006","90","","114.3","0.001","90","","2758.44","0.11","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H164 Cu4 I4 N12 Ni4 O P8 -","- C84 H164 Cu4 I4 N12 Ni4 P8 -","- C84 H164 Cu4 I4 N12 Ni4 P8 -","1","0.25","","Li, Huaifeng; Gonçalves, Théo P; Hu, Jinsong; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","A Pseudodearomatized PN<sup>3</sup>P*Ni-H Complex as a Ligand and σ-Nucleophilic Catalyst.","The Journal of organic chemistry","2018","83","24","14969","14977","10.1021/acs.joc.8b02205","","","1.54178","CuKα","","0.0639","0.0595","","","0.1523","0.1553","","","","","","1.081","","","","has coordinates","226262","2020-10-21","18:00:00",""
"4034740","5.6204","0.0004","21.5493","0.0012","10.8922","0.0006","90","","98.449","0.002","90","","1304.9","0.14","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 O6 S2 -","- C29 H28 O6 S2 -","- C58 H56 O12 S4 -","2","1","","Song, Wei-Syun; Liu, Si-Xian; Chang, Che-Chien","Synthesis of l-Deoxyribonucleosides from d-Ribose.","The Journal of organic chemistry","2018","83","24","14923","14932","10.1021/acs.joc.8b02002","","","0.71073","MoKα","","0.0282","0.0269","","","0.0644","0.0653","","","","","","1.038","","","","has coordinates","226263","2020-10-21","18:00:00",""
"4034741","6.5102","0.0006","10.6554","0.001","14.2094","0.0013","90","","90","","90","","985.69","0.16","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Li, Chaoran; Yuan, Jingwen; Zhang, Qian; Bhujanga Rao, Chitturi; Zhang, Rui; Zhao, Yanning; Deng, Bicheng; Dong, Dewen","Oxidative Cyclization of β-Aminoacrylamides Mediated by PhIO: Chemoselective Synthesis of Isoxazoles and 2 H-Azirines.","The Journal of organic chemistry","2018","83","24","14999","15008","10.1021/acs.joc.8b02132","","","0.71073","MoKα","","0.0554","0.0447","","","0.1029","0.1099","","","","","","1.029","","","","has coordinates","226264","2020-10-21","18:00:00",""
"4034742","19.403","0.003","5.6089","0.0008","37.416","0.006","90","","104.542","0.002","90","","3941.5","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C208 H176 O32 -","8","1","","Rouh, Hossein; Liu, Yangxue; Katakam, Nandakumar; Pham, Lilian; Zhu, Yi-Long; Li, Guigen","Synthesis of Functionalized Chromene and Chroman Derivatives via Cesium Carbonate Promoted Formal [4 + 2] Annulation of 2'-Hydroxychalcones with Allenoates.","The Journal of organic chemistry","2018","83","24","15372","15379","10.1021/acs.joc.8b02627","","","0.71073","MoKα","","0.0573","0.0401","","","0.0853","0.0927","","","","","","1.053","","","","has coordinates","226265","2020-10-21","18:00:00",""
"4034743","11.8445","0.001","17.0045","0.0014","19.8152","0.0016","90","","90","","90","","3991","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C184 H160 N16 O24 S8 -","8","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0508","0.0379","","","0.0982","0.1115","","","","","","1.054","","","","has coordinates","226266","2020-10-21","18:00:00",""
"4034744","9.987","0.002","11.818","0.002","21.197","0.004","90","","96.944","0.007","90","","2483.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 O4 S -","- C29 H24 N2 O4 S -","- C116 H96 N8 O16 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0484","0.0388","","","0.0996","0.1081","","","","","","1.038","","","","has coordinates","226267","2020-10-21","18:00:00",""
"4034745","9.1431","0.0004","10.9188","0.0003","24.715","0.0009","90","","90","","90","","2467.34","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl N2 O3 S -","- C29 H23 Cl N2 O3 S -","- C116 H92 Cl4 N8 O12 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0709","0.0495","","","0.1075","0.12","","","","","","1.074","","","","has coordinates","226268","2020-10-21","18:00:00",""
"4034746","10.8105","0.0003","11.2376","0.0002","11.9765","0.0003","100.257","0.001","114.315","0.001","104.674","0.001","1215.07","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl N2 O3 S -","- C29 H23 Cl N2 O3 S -","- C58 H46 Cl2 N4 O6 S2 -","2","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0374","0.0337","","","0.0885","0.0922","","","","","","1.045","","","","has coordinates","226269","2020-10-21","18:00:00",""
"4034747","10.343","0.0012","14.8904","0.0013","17.0572","0.0019","90","","92.282","0.003","90","","2624.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O6 -","- C32 H27 N O6 -","- C128 H108 N4 O24 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.1171","0.0794","","","0.1976","0.2354","","","","","","1.051","","","","has coordinates","226270","2020-10-21","18:00:00",""
"4034748","10.6183","0.0003","11.3107","0.0003","11.6094","0.0003","104.956","0.001","111.862","0.001","104.146","0.001","1156.54","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O3 S2 -","- C27 H22 N2 O3 S2 -","- C54 H44 N4 O6 S4 -","2","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0425","0.0383","","","0.1043","0.1082","","","","","","1.012","","","","has coordinates","226271","2020-10-21","18:00:00",""
"4034749","7.5699","0.0015","8.2998","0.0015","11.079","0.002","71.037","0.006","72.442","0.006","68.706","0.006","599.9","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","1","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0894","0.0717","","","0.1739","0.19","","","","","","1.044","","","","has coordinates","226272","2020-10-21","18:00:00",""
"4034750","8.2947","0.0002","22.2998","0.0006","13.9173","0.0004","90","","100.276","0.001","90","","2532.99","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","- C120 H104 N8 O12 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0536","0.0412","","","0.0918","0.0999","","","","","","1.07","","","","has coordinates","226273","2020-10-21","18:00:00",""
"4034751","10.6301","0.0004","12.319","0.0003","13.3645","0.0005","95.356","0.002","92.661","0.003","96.203","0.002","1729.44","0.1","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","2","","Agirre, Maddalen; Henrion, Sylvain; Rivilla, Ivan; Miranda, José I; Cossío, Fernando P; Carboni, Bertrand; Villalgordo, José M; Carreaux, François","1,3-Dioxa-[3,3]-sigmatropic Oxo-Rearrangement of Substituted Allylic Carbamates: Scope and Mechanistic Studies.","The Journal of organic chemistry","2018","83","24","14861","14881","10.1021/acs.joc.8b01320","","x-ray","1.54184","CuKα","","0.0651","0.0525","","","0.1359","0.1467","","","","","","1.047","","","","has coordinates,has disorder","226274","2020-10-21","18:00:00",""
"4034752","11.6203","0.0006","13.0651","0.0007","13.7482","0.0007","116.11","0.002","101.916","0.002","90.03","0.002","1823.92","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 F3 N S -","- C23 H16 F3 N S -","- C92 H64 F12 N4 S4 -","4","2","","Shi, Wen-Qiang; Liu, Shuai; Wang, Chen-Ze; Huang, Yangen; Qing, Feng-Ling; Xu, Xiu-Hua","Synthesis of CMe<sub>2</sub>CF<sub>3</sub>-Containing Heteroarenes via Tandem 1,1-Dimethyltrifluoroethylation and Cyclization of Isonitriles.","The Journal of organic chemistry","2018","83","24","15236","15244","10.1021/acs.joc.8b02506","","","0.71073","MoKα","","0.0572","0.0472","","","0.1244","0.134","","","","","","1.039","","","","has coordinates","226275","2020-10-21","18:00:00",""
"4034753","40.1484","0.0011","10.5557","0.0003","11.3092","0.0003","90","","97.518","0.003","90","","4751.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 B N3 O7 S -","- C21 H26 B N3 O7 S -","- C168 H208 B8 N24 O56 S8 -","8","2","","Havel, Stepan; Khirsariya, Prashant; Akavaram, Naresh; Paruch, Kamil; Carbain, Benoit","Preparation of 3,4-Substituted-5-Aminopyrazoles and 4-Substituted-2-Aminothiazoles.","The Journal of organic chemistry","2018","83","24","15380","15405","10.1021/acs.joc.8b02655","","","0.71073","MoKα","","0.0973","0.0821","","","0.1893","0.1961","","","","","","1.216","","","","has coordinates","226276","2020-10-21","18:00:00",""
"4034754","18.2472","0.0006","8.4518","0.0003","12.4155","0.0004","90","","93.856","0.002","90","","1910.4","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O7 -","- C24 H18 O7 -","- C96 H72 O28 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.101","0.0737","","","0.168","0.1853","","","","","","1.048","","","","has coordinates,has disorder","226277","2020-10-21","18:00:00",""
"4034755","24.0009","0.0011","8.5212","0.0004","31.56","0.002","90","","93.151","0.002","90","","6444.8","0.6","150","","150","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H40 O13 -","- C34 H40 O13 -","- C272 H320 O104 -","8","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1295","0.0811","","","0.2113","0.2532","","","","","","1.031","","","","has coordinates,has disorder","226278","2020-10-21","18:00:00",""
"4034756","15.7405","0.0003","15.7405","0.0003","11.9054","0.0003","90","","90","","120","","2554.53","0.09","150","","150","","","","","","","","","4","P 63","P 6c","173","","","","- C22 H11 N O6 -","- C22 H11 N O6 -","- C132 H66 N6 O36 -","6","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1035","0.0968","","","0.2556","0.2804","","","","","","1.252","","","","has coordinates,has disorder","226279","2020-10-21","18:00:00",""
"4034757","21.3113","0.0008","43.3656","0.0017","8.4955","0.0003","90","","90","","90","","7851.3","0.5","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H20 O7 -","- C24 H20 O7 -","- C384 H320 O112 -","16","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0547","0.0535","","","0.1477","0.149","","","","","","1.042","","","","has coordinates,has disorder","226280","2020-10-21","18:00:00",""
"4034758","17.2624","0.0005","8.6308","0.0002","16.1531","0.0005","90","","109.286","0.002","90","","2271.57","0.11","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O9 -","- C26 H22 O9 -","- C104 H88 O36 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0654","0.0539","","","0.1298","0.1397","","","","","","1.031","","","","has coordinates,has disorder","226281","2020-10-21","18:00:00",""
"4034759","11.6237","0.0009","13.3004","0.001","13.6633","0.001","62.625","0.003","81.097","0.004","82.543","0.004","1849.1","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H50 O15 -","- C38 H50 O15 -","- C76 H100 O30 -","2","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1066","0.0671","","","0.1431","0.1629","","","","","","1.03","","","","has coordinates,has disorder","226282","2020-10-21","18:00:00",""
"4034760","8.4894","0.0001","11.0722","0.0002","12.8612","0.0002","90","","90","","90","","1208.91","0.03","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Spindler, Benedikt; Kataeva, Olga; Knölker, Hans-Joachim","Enantioselective Total Synthesis and Assignment of the Absolute Configuration of the Furo[3,2- a]carbazole Alkaloid Furoclausine-B.","The Journal of organic chemistry","2018","83","24","15136","15143","10.1021/acs.joc.8b02426","","","1.54178","CuKα","","0.0281","0.0276","","","0.0763","0.0766","","","","","","1.054","","","","has coordinates","226283","2020-10-21","18:00:00",""
"4034761","7.9772","0.0005","9.3301","0.0005","11.0632","0.0006","87.994","0.003","71.069","0.003","79.461","0.003","765.47","0.08","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.1223","0.1081","","","","0.288","","","","","","1.123","","","","has coordinates","226284","2020-10-21","18:00:00",""
"4034762","7.265","0.0011","7.4678","0.0013","20.714","0.003","99.558","0.006","94.814","0.006","98.928","0.006","1087.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","2","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","0.71073","MoKα","","0.1581","0.0882","","","","0.2252","","","","","","1.053","","","","has coordinates","226285","2020-10-21","18:00:00",""
"4034763","7.8531","0.0002","9.8132","0.0002","11.2755","0.0003","89.328","0.001","73.167","0.001","78.439","0.001","813.84","0.03","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0636","0.0556","","","","0.1668","","","","","","1.048","","","","has coordinates","226286","2020-10-21","18:00:00",""
"4034764","22.487","0.004","5.6204","0.0012","7.7323","0.0019","90","","90","","90","","977.3","0.4","117","2","117","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0675","0.0408","","","","0.1171","","","","","","1.061","","","","has coordinates","226287","2020-10-21","18:00:00",""
"4034765","6.1508","0.0012","8.0778","0.0016","16.666","0.003","89.39","0.03","82.57","0.03","68.88","0.03","765.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C34 H34 N2 O10 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0638","0.0476","","","","0.141","","","","","","1.025","","","","has coordinates","226288","2020-10-21","18:00:00",""
"4034766","12.4667","0.0003","15.7431","0.0003","33.5575","0.0007","90","","90","","90","","6586.1","0.2","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 Br N2 O5 S -","- C39 H29 Br N2 O5 S -","- C312 H232 Br8 N16 O40 S8 -","8","2","","Gao, Zhong-Hua; Chen, Kun-Quan; Zhang, Yan; Kong, Ling-Mei; Li, Yan; Ye, Song","Enantioselective N-Heterocyclic Carbene-Catalyzed Synthesis of Spirocyclic Oxindole-benzofuroazepinones.","The Journal of organic chemistry","2018","83","24","15225","15235","10.1021/acs.joc.8b02497","","","0.71073","MoKα","","0.1517","0.0723","","","0.1012","0.1243","","","","","","1.035","","","","has coordinates","226289","2020-10-21","18:00:00",""
"4034767","13.762","0.003","5.5167","0.0011","17.167","0.003","90","","101.75","0.03","90","","1276","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O S2 -","- C15 H12 O S2 -","- C60 H48 O4 S8 -","4","1","","Xia, Fei; Chen, Xiang-Yu; Ye, Song","[3 + 4] Annulation of Bromoenals and 1,2-Benzenedithiol: Base-Promoted [2 + 4] Reaction and N-Heterocyclic Carbene-Catalyzed Ring-Expansion.","The Journal of organic chemistry","2018","83","24","15178","15185","10.1021/acs.joc.8b02460","","","0.71073","MoKα","","0.0514","0.0471","","","0.0934","0.0959","","","","","","1.118","","","","has coordinates","226290","2020-10-21","18:00:00",""
"4034768","5.68","0.003","8.711","0.004","15.304","0.007","74.081","0.015","83.934","0.018","83.108","0.019","720.8","0.6","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","1","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.1783","0.0676","","","0.1081","0.1399","","","","","","0.889","","","","has coordinates,has disorder","226291","2020-10-21","18:00:00",""
"4034769","15.5695","0.0018","10.944","0.0012","14.1194","0.0018","90","","95.015","0.007","90","","2396.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 N7 O3 S -","- C22 H19 Cl2 N7 O3 S -","- C88 H76 Cl8 N28 O12 S4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.1732","0.0693","","","0.1356","0.1707","","","","","","0.928","","","","has coordinates,has disorder","226292","2020-10-21","18:00:00",""
"4034770","6.623","0.003","18.287","0.009","33.616","0.015","90","","90","","90","","4071","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N7 O6 S -","- C18 H21 N7 O6 S -","- C144 H168 N56 O48 S8 -","8","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.398","0.0773","","","0.1124","0.1844","","","","","","0.852","","","","has coordinates","226293","2020-10-21","18:00:00",""
"4034771","8.9212","0.0008","8.8067","0.0006","20.9373","0.0016","90","","92.791","0.008","90","","1643","0.2","294.56","0.12","294.56","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Song, Xia; Gao, Cai; Zhang, Xinying; Fan, Xuesen","Synthesis of Diversely Functionalized 2 H-Chromenes through Pd-Catalyzed Cascade Reactions of 1,1-Dibromoolefin Derivatives with Arylboronic Acids.","The Journal of organic chemistry","2018","83","24","15256","15267","10.1021/acs.joc.8b02456","","x-ray","0.71073","MoKα","","0.1033","0.0647","","","0.1318","0.1507","","","","","","1.037","","","","has coordinates","226294","2020-10-21","18:00:00",""
"4034772","6.575","0.0003","9.8384","0.0006","28.6228","0.0015","90","","90","","90","","1851.54","0.17","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chennamadhavuni, Spandan; Panek, James S.; Porco, Jr, John A; Brown, Lauren E.","Diastereodivergent Synthesis of Chiral Tetrahydropyrrolodiazepinediones via a One-Pot Intramolecular aza-Michael/Lactamization Sequence.","The Journal of organic chemistry","2018","83","24","15449","15462","10.1021/acs.joc.8b02724","","","1.54178","CuKα","","0.0284","0.0282","","","0.0693","0.0695","","","","","","1.029","","","","has coordinates","226295","2020-10-21","18:00:00",""
"4034773","5.1322","0.0003","10.6941","0.0007","36.958","0.002","90","","90","","90","","2028.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,6S,8S,9R)-8-Butyl-9-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Nolsøe, Jens M J; Antonsen, Simen; Görbitz, Carl H; Hansen, Trond V.; Nesman, Jannicke I.; Røhr, Åsmund K; Stenstrøm, Yngve H","Total Synthesis of (-)-Mucosin and Revision of Structure.","The Journal of organic chemistry","2018","83","24","15066","15076","10.1021/acs.joc.8b02318","","","0.71073","MoKα","","0.0947","0.0543","","","0.106","0.1311","","","","","","1.041","","","","has coordinates","226296","2020-10-21","18:00:00",""
"4034774","6.4402","0.0002","16.5039","0.0006","19.2685","0.0007","90","","90","","90","","2048.02","0.12","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Lu, Hong; Tan, Chang-Yin; Zhang, Huan-Xin; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","Participation of β-Ketothioamides in N-Heterocyclic Carbene-Catalyzed [3 + 3] Spiroannulation: Asymmetric Synthesis of Functionalized Spiro-piperidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15245","15255","10.1021/acs.joc.8b02520","","","1.54178","CuKα","","0.0481","0.0472","","","0.1278","0.1289","","","","","","1.036","","","","has coordinates","226297","2020-10-21","18:00:00",""
"4034775","6.16338","0.00008","33.2578","0.0005","9.94383","0.00014","90","","100.205","0.0008","90","","2006.04","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4'-benzylidene-3'-(4-chlorophenyl)-1-methylspiro[indoline-3,5'-oxazolidine]-2,2'-dione","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C96 H68 Cl4 N8 O12 -","4","1","","Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula","Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15186","15194","10.1021/acs.joc.8b02461","","","0.71073","MoKα","","0.0697","0.0506","","","0.1467","0.1603","","","","","","1.128","","","","has coordinates,has disorder","226298","2020-10-21","18:00:00",""
"4034776","27.583","0.002","13.6001","0.001","10.2013","0.001","90","","104.589","0.004","90","","3703.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-4-benzylidene-3-(4-chlorophenyl)-1-oxa-3-azaspiro[4.5]decan-2-one'","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C168 H160 Cl8 N8 O16 -","8","1","","Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula","Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15186","15194","10.1021/acs.joc.8b02461","","","0.71073","MoKα","","0.0921","0.055","","","0.1412","0.1641","","","","","","1.066","","","","has coordinates,has disorder","226299","2020-10-21","18:00:00",""
"4034777","10.8054","0.0008","7.8126","0.0006","28.528","0.003","90","","90","","90","","2408.3","0.4","298.84","0.1","298.84","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C88 H96 F24 N8 O16 S8 -","8","1","","Wang, Xue-Juan; Su, Yan; Li, Rui; Gu, Peiming","Tf<sub>2</sub>O-Promoted Intramolecular Schmidt Reaction of the ω-Azido Carboxylic Acids.","The Journal of organic chemistry","2018","83","10","5816","5824","10.1021/acs.joc.8b00475","","x-ray","0.71073","MoKα","","0.0626","0.0447","","","0.1321","0.1499","","","","","","0.966","","","","has coordinates","226300","2020-10-21","18:00:00",""
"4034778","7.651","0.0007","18.5007","0.0015","38.062","0.003","90","","90","","90","","5387.6","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N2 O2 Si -","- C26 H41 N2 O2 Si -","- C208 H328 N16 O16 Si8 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.1136","0.0657","","","0.1384","0.1621","","","","","","0.938","","","","has coordinates,has disorder","226301","2020-10-21","18:00:00",""
"4034779","7.278","0.0002","17.8268","0.0005","18.0726","0.0005","90","","90","","90","","2344.8","0.11","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.0723","0.0579","","","0.1412","0.1601","","","","","","1.117","","","","has coordinates","226302","2020-10-21","18:00:00",""
"4034780","8.9373","0.0011","14.855","0.0015","8.7225","0.0011","90","","94.186","0.006","90","","1154.9","0.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Guchhait, Sankar K.; Sisodiya, Shailendra; Saini, Meenu; Shah, Yesha V.; Kumar, Gulshan; Daniel, Divine P.; Hura, Neha; Chaudhary, Vikas","Synthesis of Polyfunctionalized Pyrroles via a Tandem Reaction of Michael Addition and Intramolecular Cyanide-Mediated Nitrile-to-Nitrile Condensation.","The Journal of organic chemistry","2018","83","10","5807","5815","10.1021/acs.joc.8b00465","","","0.71075","MoKα","","0.0674","0.0534","","","0.1379","0.1502","","","","","","1.083","","","","has coordinates","226303","2020-10-21","18:00:00",""
"4034781","16.0106","0.0004","6.6008","0.0001","18.147","0.0004","90","","110.687","0.003","90","","1794.17","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,3R,4S,7S)-7-(2,4-dichlorophenyl)-4,5-dimethyl-3-phenyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0521","0.0509","","","0.1394","0.1417","","","","","","1.085","","","","has coordinates","226304","2020-10-21","18:00:00",""
"4034782","7.52861","0.00009","7.52861","0.00009","32.1688","0.0009","90","","90","","90","","1823.33","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","1","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0756","0.0758","","","","","","1.044","","","","has coordinates","226305","2020-10-21","18:00:00",""
"4034783","7.8387","0.0001","15.5575","0.0002","15.9678","0.0002","90","","90.449","0.001","90","","1947.22","0.04","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 F N O2 -","- C23 H26 F N O2 -","- C92 H104 F4 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0799","0.0817","","","","","","1.036","","","","has coordinates","226306","2020-10-21","18:00:00",""
"4034784","10.8287","0.0001","8.7361","0.0001","14.9004","0.0001","90","","91.5711","0.0007","90","","1409.06","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C31 H38 Cl N O4 -","- C31 H38 Cl N O4 -","- C62 H76 Cl2 N2 O8 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0243","0.024","","0.0619","0.0615","0.0619","","","","","","1.0015","","","","has coordinates","226307","2020-10-21","18:00:00",""
"4034785","10.6785","0.0004","10.7888","0.0007","12.4332","0.0008","98.711","0.006","101.123","0.004","92.413","0.004","1385.53","0.14","150","","150","","","","","","","","from U of Wollongong","4","P 1","P 1","1","","","","- C29 H39 N O8 -","- C29 H39 N O8 -","- C58 H78 N2 O16 -","2","2","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0637","0.0539","","0.134","0.1269","0.134","","","","","","0.9928","","","","has coordinates","226308","2020-10-21","18:00:00",""
"4034786","5.8947","0.0001","11.9409","0.0001","32.5277","0.0004","90","","90","","90","","2289.56","0.05","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30.11 N O7.55 -","- C24 H30.106 N O7.553 -","- C96 H120.424 N4 O30.212 -","4","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0297","0.0286","","0.073","0.0721","0.073","","","","","","1.0012","","","","has coordinates","226309","2020-10-21","18:00:00",""
"4034787","13.3461","0.0002","5.1418","0.0001","19.3686","0.0002","90","","97.7303","0.0012","90","","1317.05","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0389","0.038","","0.1038","0.1025","0.1038","","","","","","1.0125","","","","has coordinates","226310","2020-10-21","18:00:00",""
"4034788","12.1681","0.0002","13.7635","0.0004","19.2104","0.0006","100.542","0.002","90.699","0.002","90.063","0.002","3162.72","0.15","150","","150","","","","","","","","from U of Wollongong","5","P 1","P 1","1","","","","- C28 H39 N O10 S2 -","- C28 H39 N O10 S2 -","- C112 H156 N4 O40 S8 -","4","4","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0676","0.0603","","0.1597","0.1518","0.1597","","","","","","0.9806","","","","has coordinates","226311","2020-10-21","18:00:00",""
"4034789","31.1008","0.0007","15.905","0.0006","22.8099","0.0007","90","","90","","90","","11283.1","0.6","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H30 F8 N2 O3 -","- C30 H30 F8 N2 O3 -","- C480 H480 F128 N32 O48 -","16","2","","Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien","[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.","The Journal of organic chemistry","2018","83","10","5619","5628","10.1021/acs.joc.8b00601","","","1.54178","CuKα","","0.0472","0.0423","","","0.1114","0.1181","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034790","12.554","0.0006","13.1199","0.0007","16.8258","0.0008","89.804","0.004","72.121","0.004","87.944","0.004","2635.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H62 F8 N2 O8 -","- C58 H62 F8 N2 O8 -","- C116 H124 F16 N4 O16 -","2","1","","Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien","[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.","The Journal of organic chemistry","2018","83","10","5619","5628","10.1021/acs.joc.8b00601","","","1.54178","CuKα","","0.0712","0.055","","","0.1444","0.1616","","","","","","1.037","","","","has coordinates,has disorder","226313","2020-10-21","18:00:00",""
"4034791","9.6013","0.0004","15.5775","0.0006","20.8542","0.0008","90","","90","","90","","3119","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C120 H136 N8 O24 S8 -","8","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.068","0.0497","","","0.13","0.1478","","","","","","1.023","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034792","9.7993","0.0006","25.1148","0.0012","17.0761","0.0008","90","","104.997","0.005","90","","4059.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","2","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0737","0.0466","","","0.1021","0.1166","","","","","","1.029","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034793","7.4724","0.0006","24.2647","0.0016","10.0623","0.0009","90","","107.984","0.01","90","","1735.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 F3 N O4 S -","- C15 H16 F3 N O4 S -","- C60 H64 F12 N4 O16 S4 -","4","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0689","0.0509","","","0.1259","0.1383","","","","","","1.052","","","","has coordinates,has disorder","226314","2020-10-21","18:00:00",""
"4034794","5.2705","0.0003","14.2552","0.0011","21.578","0.0015","90","","91.648","0.006","90","","1620.53","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F N O3 S -","- C16 H18 F N O3 S -","- C64 H72 F4 N4 O12 S4 -","4","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0689","0.0437","","","0.0976","0.1123","","","","","","1.039","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034795","5.4695","0.0015","7.8263","0.0016","17.704","0.003","90","","94.45","0.02","90","","755.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C30 H34 N2 O6 S2 -","2","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0501","0.0372","","","0.0723","0.0798","","","","","","1.048","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034796","9.7904","0.0003","9.9854","0.0003","11.9075","0.0004","66.686","0.003","83.345","0.002","75.053","0.003","1032.75","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C40 H44 N4 O10 S2 -","2","1","","Andrés, José M; Maestro, Alicia; Valle, María; Pedrosa, Rafael","Chiral Bifunctional Thioureas and Squaramides and Their Copolymers as Recoverable Organocatalysts. Stereoselective Synthesis of 2-Substituted 4-Amino-3-nitrobenzopyrans and 3-Functionalized 3,4-Diamino-4 H-Chromenes.","The Journal of organic chemistry","2018","83","10","5546","5557","10.1021/acs.joc.8b00567","","x-ray","1.54184","CuKα","","0.0441","0.0375","","","0.0959","0.102","","","","","","1.027","","","","has coordinates","226315","2020-10-21","18:00:00",""
"4034797","4.8209","0.0002","19.1877","0.0007","23.923","0.0008","109.218","0.002","95.529","0.002","96.646","0.002","2054.13","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80.99 B2 N6 O4 S2 -","- C96 H80.988 B2 N6 O4 S2 -","- C96 H80.988 B2 N6 O4 S2 -","1","0.5","","Li, Guangfeng; Chen, Yijing; Qiao, Yanjun; Lu, Yifan; Zhou, Gang","Charge Transfer Switching in Donor-Acceptor Systems Based on BN-Fused Naphthalimides.","The Journal of organic chemistry","2018","83","10","5577","5587","10.1021/acs.joc.8b00597","","","1.54178","CuKα","","0.0703","0.0525","","","0.1578","0.1711","","","","","","1.194","","","","has coordinates,has disorder","226316","2020-10-21","18:00:00",""
"4034798","14.755","0.002","6.0419","0.0007","16.653","0.002","90","","105.827","0.01","90","","1428.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Che, Chao; Qian, Zhaosheng; Wu, Mingchang; Zhao, Ying; Zhu, Gangguo","Intermolecular Oxidative Radical Addition to Aromatic Aldehydes: Direct Access to 1,4- and 1,5-Diketones via Silver-Catalyzed Ring-Opening Acylation of Cyclopropanols and Cyclobutanols.","The Journal of organic chemistry","2018","83","10","5665","5673","10.1021/acs.joc.8b00666","","","0.71073","MoKα","","","0.0874","","","0.1472","0.1776","","","","","","1.152","","","","has coordinates","226317","2020-10-21","18:00:00",""
"4034799","6.4182","0.001","8.0455","0.001","20.61","0.003","79.262","0.006","88.226","0.008","85.037","0.007","1041.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Cl O4 S -","- C26 H19 Cl O4 S -","- C52 H38 Cl2 O8 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Phosphine-Catalyzed Domino Reaction of Thioaurones and Allenoate: Synthesis of Benzothiophene-Fused Dioxabicyclo[3.3.1]nonane Derivatives.","The Journal of organic chemistry","2018","83","10","5410","5419","10.1021/acs.joc.8b00145","","","0.71073","MoKα","","0.0336","0.0287","","","0.0751","0.0778","","","","","","1.044","","","","has coordinates","226318","2020-10-21","18:00:00",""
"4034800","14.852","0.009","5.609","0.003","23.749","0.014","90","","95.694","0.009","90","","1969","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 F3 O S -","- C22 H19 F3 O S -","- C88 H76 F12 O4 S4 -","4","1","","Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun","Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.","The Journal of organic chemistry","2018","83","10","5836","5843","10.1021/acs.joc.8b00650","","","0.71073","MoKα","","0.2759","0.136","","","0.3528","0.4104","","","","","","1.018","","","","has coordinates","226320","2020-10-21","18:00:00",""
"4034801","12.3929","0.0013","18.2045","0.0019","14.051","0.0014","90","","101.083","0.002","90","","3110.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2.6 H2.4 Cu F3 N0.8 S -","- C2.6 H2.4 Cu F3 N0.8 S -","- C52 H48 Cu20 F60 N16 S20 -","20","5","","Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun","Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.","The Journal of organic chemistry","2018","83","10","5836","5843","10.1021/acs.joc.8b00650","","","0.71073","MoKα","","0.0508","0.0288","","","0.0754","0.0861","","","","","","1.045","","","","has coordinates,has disorder","226321","2020-10-21","18:00:00",""
"4034802","10.0279","0.001","10.7137","0.0011","12.0696","0.0013","114.501","0.011","105.583","0.009","99.683","0.009","1077.2","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C54 H48 N4 O4 -","2","1","","Cheng, Cheng; Zhang, Jiayong; Wang, Xue; Miao, Zhiwei","DBU-Promoted [4 + 4] Domino Cycloaddition of Ynones with Benzylidenepyrazolones To Access Eight-Membered Cyclic Ethers.","The Journal of organic chemistry","2018","83","10","5450","5457","10.1021/acs.joc.8b00352","","","0.71073","MoKα","","0.0657","0.0527","","","0.1414","0.1534","","","","","","1.022","","","","has coordinates","226322","2020-10-21","18:00:00",""
"4034803","13.5592","0.0003","13.5592","0.0003","5.6888","0.0002","90","","90","","120","","905.77","0.04","173","2","173","2","","","","","","","","3","P 31","P 31","144","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","1","","Scholl, Katie; Dillashaw, John; Timpy, Evan; Lam, Yu-Hong; DeRatt, Lindsey; Benton, Tyler R.; Powell, Jacqueline P.; Houk, K. N.; Morgan, Jeremy B.","Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation.","The Journal of organic chemistry","2018","83","10","5756","5765","10.1021/acs.joc.8b00938","","","1.54178","CuKα","","0.028","0.0279","","","0.0727","0.0728","","","","","","1.07","","","","has coordinates","226323","2020-10-21","18:00:00",""
"4034804","13.0957","0.0004","19.0281","0.0007","19.8599","0.0006","68.022","0.003","88.534","0.003","87.009","0.003","4582.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H122 Cl2 O2 Si2 -","- C101.001 H122.002 Cl2.002 O2 Si2 -","- C202.002 H244.004 Cl4.004 O4 Si4 -","2","1","","Nagaoka, Maiko; Tsurumaki, Eiji; Nishiuchi, Mai; Iwanaga, Tetsuo; Toyota, Shinji","Synthesis and Electronic Properties of Length-Defined 9,10-Anthrylene-Butadiynylene Oligomers.","The Journal of organic chemistry","2018","83","10","5784","5790","10.1021/acs.joc.8b00311","","","0.71073","MoKα","","0.1564","0.0992","","","0.2599","0.3037","","","","","","1.01","","","","has coordinates,has disorder","226324","2020-10-21","18:00:00",""
"4034805","23.7477","0.0013","7.4516","0.0003","7.8082","0.0004","90","","90","","90","","1381.73","0.12","292","","292","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","0.5","","Espinoza-Hicks, Carlos; Montoya, Pablo; Bautista, Rafael; Jiménez-Vázquez, Hugo A; Rodríguez-Valdez, Luz M; Camacho-Dávila, Alejandro A; Cossío, Fernando P; Delgado, Francisco; Tamariz, Joaquín","Synthesis of exo-Imidazolidin-2-one Dienes, Their Isomerization, and Selectivity in Diels-Alder Cycloadditions.","The Journal of organic chemistry","2018","83","10","5347","5364","10.1021/acs.joc.7b02344","","","0.71073","MoKα","","0.08","0.0577","","","0.1268","0.1384","","","","","","1.075","","","","has coordinates","226325","2020-10-21","18:00:00",""
"4034806","32.1108","0.0018","32.1108","0.0018","8.1217","0.0005","90","","90","","120","","7252.4","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2,2,5,5-Tetraethyl-3,4-bis(hydroxymethyl)pyrrolidin-1-oxyl","","- C14 H28 N O3 -","- C14 H28 N O3 -","- C252 H504 N18 O54 -","18","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.1199","0.0774","","","0.2323","0.2916","","","","","","1.017","","","","has coordinates","226326","2020-10-21","18:00:00",""
"4034807","13.9856","0.0005","12.0156","0.0005","15.6049","0.0006","90","","90","","90","","2622.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,5-Triethyl-3,4-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole 1-oxide","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C96 H184 N8 O24 -","8","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.0643","0.0517","","","0.1318","0.1419","","","","","","1.058","","","","has coordinates","226327","2020-10-21","18:00:00",""
"4034808","9.5531","0.0019","10.421","0.002","13.525","0.003","90","","90","","90","","1346.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0411","","","0.0788","0.0825","","","","","","1.078","","","","has coordinates","226328","2020-10-21","18:00:00",""
"4034809","9.3072","0.0019","11.839","0.002","13.106","0.003","90","","90","","90","","1444.1","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0458","","","0.1194","0.1236","","","","","","1.093","","","","has coordinates","226329","2020-10-21","18:00:00",""
"4034810","7.3827","0.0003","11.4509","0.0005","14.5547","0.0006","77.556","0.002","86.847","0.002","77.599","0.002","1173.44","0.09","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H36 -","- C38 H36 -","- C76 H72 -","2","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0588","0.0445","","","0.1156","0.1241","","","","","","1.018","","","","has coordinates","226330","2020-10-21","18:00:00",""
"4034811","11.9655","0.0003","15.3718","0.0004","16.7007","0.0004","90","","90","","90","","3071.78","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I2 -","- C19 H18 I2 -","- C152 H144 I16 -","8","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0319","0.0253","","","0.0672","0.0711","","","","","","1.04","","","","has coordinates","226331","2020-10-21","18:00:00",""
"4034812","5.9104","0.0004","11.1856","0.0008","19.9679","0.0014","105.046","0.002","96.566","0.002","90.113","0.002","1265.8","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C19 H20 -","- C19 H20 -","- C76 H80 -","4","2","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0651","0.0545","","","0.1622","0.17","","","","","","1.044","","","","has coordinates","226332","2020-10-21","18:00:00",""
"4034813","11.0791","0.0001","11.8232","0.0001","31.0969","0.0005","90","","90","","90","","4073.4","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 N4 O9 -","- C43 H54 N4 O9 -","- C172 H216 N16 O36 -","4","1","","Li, Ni-Ping; Liu, Miao; Huang, Xiao-Jun; Gong, Xue-Ying; Zhang, Wei; Cheng, Min-Jing; Ye, Wen-Cai; Wang, Lei","Gelsecorydines A-E, Five Gelsedine-Corynanthe-Type Bisindole Alkaloids from the Fruits of Gelsemium elegans.","The Journal of organic chemistry","2018","83","10","5707","5714","10.1021/acs.joc.8b00736","","x-ray","1.54184","CuKα","","0.048","0.0435","","","0.1056","0.1074","","","","","","1.052","","","","has coordinates","226333","2020-10-21","18:00:00",""
"4034814","13.4745","0.0004","16.8109","0.0005","9.146","0.0003","90","","97.968","0.003","90","","2051.74","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F N3 O4 -","- C23 H24 F N3 O4 -","- C92 H96 F4 N12 O16 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0454","0.0377","","","0.0925","0.098","","","","","","1.033","","","","has coordinates","226334","2020-10-21","18:00:00",""
"4034815","14.53442","0.00014","22.08306","0.00016","14.82247","0.00015","90","","113.821","0.0012","90","","4352.2","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 F2 N3 O4 -","- C26 H21 F2 N3 O4 -","- C208 H168 F16 N24 O32 -","8","2","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","1.54184","CuKα","","0.0393","0.0329","","","0.0801","0.0838","","","","","","1.027","","","","has coordinates","226335","2020-10-21","18:00:00",""
"4034816","6.8496","0.0003","10.139","0.0004","12.0844","0.0004","89.339","0.003","77.612","0.003","80.243","0.003","807.57","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 F N3 O3 -","- C17 H20 F N3 O3 -","- C34 H40 F2 N6 O6 -","2","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","1.54184","CuKα","","0.0401","0.0349","","","0.0879","0.0929","","","","","","1.027","","","","has coordinates","226336","2020-10-21","18:00:00",""
"4034817","26.451","0.0009","7.526","0.0002","20.2835","0.0007","90","","99.598","0.003","90","","3981.3","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 N3 O8.5 S -","- C19 H20 N3 O8.5 S -","- C152 H160 N24 O68 S8 -","8","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0404","0.0339","","","0.079","0.0824","","","","","","1.057","","","","has coordinates,has disorder","226337","2020-10-21","18:00:00",""
"4034818","13.6746","0.0002","17.7585","0.0003","8.82977","0.00016","90","","98.9764","0.0017","90","","2117.96","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C104 H92 N12 O16 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","x-ray","1.54184","CuKα","","0.0547","0.044","","","0.1112","0.1205","","","","","","1.029","","","","has coordinates","226338","2020-10-21","18:00:00",""
"4034819","6.8791","0.0003","16.782","0.0007","8.8948","0.0004","90","","95.33","0.004","90","","1022.42","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H24 N2 O8 -","- C21 H25 N2 O8 -","- C42 H50 N4 O16 -","2","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0377","0.0342","","","0.0796","0.0823","","","","","","1.051","","","","has coordinates","226339","2020-10-21","18:00:00",""
"4034820","13.223","0.0003","13.84641","0.00019","13.2855","0.0003","90","","118.705","0.003","90","","2133.52","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F2 N3 O3 -","- C24 H21 F2 N3 O3 -","- C96 H84 F8 N12 O12 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0383","0.0349","","","0.088","0.0909","","","","","","1.027","","","","has coordinates","226340","2020-10-21","18:00:00",""
"4034821","6.5047","0.0003","17.1549","0.0007","16.2889","0.0007","90","","91.085","0.004","90","","1817.31","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","2","","Peng, Xing-Rong; Lu, Shuang-Yang; Shao, Li-Dong; Zhou, Lin; Qiu, Ming-Hua","Structural Elucidation and Biomimetic Synthesis of (±)-Cochlactone A with Anti-Inflammatory Activity.","The Journal of organic chemistry","2018","83","10","5516","5522","10.1021/acs.joc.8b00525","","x-ray","1.54184","CuKα","","0.0995","0.0936","","","0.2703","0.2747","","","","","","1.081","","","","has coordinates,has disorder","226341","2020-10-21","18:00:00",""
"4034822","10.617","0.002","6.9496","0.0014","20.782","0.006","90","","110.52","0.03","90","","1436.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O0 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Wang, Xu; He, Dandan; Huang, Yubing; Fan, Qihang; Wu, Wanqing; Jiang, Huanfeng","Copper-Catalyzed Synthesis of Substituted Quinazolines from Benzonitriles and 2-Ethynylanilines via Carbon-Carbon Bond Cleavage Using Molecular Oxygen.","The Journal of organic chemistry","2018","83","10","5458","5466","10.1021/acs.joc.8b00378","","","0.71073","MoKα","","0.1436","0.0545","","","0.1283","0.1976","","","","","","0.92","","","","has coordinates","226342","2020-10-21","18:00:00",""
"4034823","9.794","0.005","13.608","0.005","23.799","0.005","90","0.005","95.22","0.005","90","0.005","3159","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyclo-adduct","","","- C34 H40 N2 O7 -","- C34 H40 N2 O7 -","- C136 H160 N8 O28 -","4","1","","Dey, Raghunath; Kumar, Pankaj; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Cyclopropane Carbaldehydes and Aryl Hydrazines: Construction of Tetrahydropyridazines and Application Toward a One-Pot Synthesis of Hexahydropyrrolo[1,2- b]pyridazines.","The Journal of organic chemistry","2018","83","10","5438","5449","10.1021/acs.joc.8b00332","","","0.71073","MoKα","","0.1538","0.0768","","","0.1654","0.2017","","","","","","1.049","","","","has coordinates","226343","2020-10-21","18:00:00",""
"4034824","6.587","0.005","10.692","0.005","11.061","0.005","90","0.005","93.961","0.005","90","0.005","777.1","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Dey, Raghunath; Kumar, Pankaj; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Cyclopropane Carbaldehydes and Aryl Hydrazines: Construction of Tetrahydropyridazines and Application Toward a One-Pot Synthesis of Hexahydropyrrolo[1,2- b]pyridazines.","The Journal of organic chemistry","2018","83","10","5438","5449","10.1021/acs.joc.8b00332","","","0.71073","MoKα","","0.0788","0.0576","","","0.1176","0.126","","","","","","1.086","","","","has coordinates","226344","2020-10-21","18:00:00",""
"4034825","11.6786","0.0008","10.5551","0.0006","12.611","0.001","90","","108.536","0.008","90","","1473.9","0.19","293.95","0.1","293.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Br N O -","- C17 H17 Br N O -","- C68 H68 Br4 N4 O4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0582","0.0376","","","0.0793","0.0896","","","","","","1.0465","","","","has coordinates","226345","2020-10-21","18:00:00",""
"4034826","14.3705","0.0012","8.1129","0.0007","10.191","0.0008","90","","93.616","0.007","90","","1185.77","0.17","295.6","0.2","295.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0998","0.0617","","","0.1061","0.1251","","","","","","1.036","","","","has coordinates","226346","2020-10-21","18:00:00",""
"4034827","7.1388","0.0007","18.695","0.002","10.5157","0.0013","90","","104.938","0.01","90","","1356","0.3","295.6","0.3","295.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O3 Se -","- C12 H14 N2 O3 Se -","- C48 H56 N8 O12 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.079","0.0445","","","0.0853","0.1","","","","","","1.0411","","","","has coordinates","226347","2020-10-21","18:00:00",""
"4034828","7.3016","0.0007","11.2744","0.001","16.071","0.0017","90","","102.442","0.01","90","","1291.9","0.2","293.07","0.12","293.07","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N2 O4 -","- C12 H12 Br N2 O4 -","- C48 H48 Br4 N8 O16 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0566","0.038","","","0.0894","0.099","","","","","","1.0607","","","","has coordinates","226348","2020-10-21","18:00:00",""
"4034829","7.6221","0.0012","24.039","0.003","14.983","0.002","90","","94.073","0.016","90","","2738.4","0.7","296.2","0.2","296.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 Se -","- C13 H17 N O2 Se -","- C104 H136 N8 O16 Se8 -","8","2","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0975","0.0494","","","0.0895","0.1106","","","","","","1.0366","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4034830","13.1752","0.0017","7.1057","0.0006","13.7654","0.0016","90","","111.1","0.014","90","","1202.3","0.3","296.5","0.2","296.5","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.1198","0.0764","","","0.1754","0.2013","","","","","","1.076","","","","has coordinates","226350","2020-10-21","18:00:00",""
"4034831","10.079","0.002","9.9043","0.0012","11.905","0.0019","90","","107.125","0.019","90","","1135.7","0.3","294.4","0.3","294.4","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O S Se -","- C10 H11 N O S Se -","- C40 H44 N4 O4 S4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.1099","0.0615","","","0.1371","0.1661","","","","","","1.0279","","","","has coordinates","226351","2020-10-21","18:00:00",""
"4034832","23.367","0.012","70.7","0.04","5.211","0.003","90","","90","","90","","8609","8","296","2","296.15","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C432 H416 O64 -","16","1","","Wang, Cong-Shuai; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Metal-Catalyzed Oxa-[4+2] Cyclizations of Quinone Methides with Alkynyl Benzyl Alcohols.","The Journal of organic chemistry","2018","83","22","13861","13873","10.1021/acs.joc.8b02186","","","0.71073","MoKα","","0.1943","0.0641","","","0.1052","0.1406","","","","","","0.954","","","","has coordinates","226352","2020-10-21","18:00:00",""
"4034833","9.7271","0.0009","12.1139","0.0011","13.3466","0.0012","116.056","0.001","102.825","0.001","98.745","0.001","1320.5","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C62 H72 O8 -","2","1","","Wang, Cong-Shuai; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Metal-Catalyzed Oxa-[4+2] Cyclizations of Quinone Methides with Alkynyl Benzyl Alcohols.","The Journal of organic chemistry","2018","83","22","13861","13873","10.1021/acs.joc.8b02186","","","0.71073","MoKα","","0.056","0.0488","","","0.1325","0.1396","","","","","","1.037","","","","has coordinates","226353","2020-10-21","18:00:00",""
"4034834","10.4367","0.0003","10.9382","0.0003","17.4996","0.0005","95.746","0.001","94.601","0.001","93.95","0.001","1975.32","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile","2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile","","- C23 H16 Cl N5 -","- C23 H16 Cl N5 -","- C92 H64 Cl4 N20 -","4","2","","Shylaja, Adaikalam; Roja, Somi Santharam; Priya, Rakkappan Vishnu; Kumar, Raju Ranjith","Four-Component Domino Synthesis of Pyrazolo[3,4- h]quinoline-3-carbonitriles: ""Turn-Off"" Fluorescent Chemosensor for Fe<sup>3+</sup> Ions.","The Journal of organic chemistry","2018","83","22","14084","14090","10.1021/acs.joc.8b01991","","","1.54178","CuKα","","0.0836","0.0655","","","0.1597","0.1633","","","","","","1.434","","","","has coordinates","226354","2020-10-21","18:00:00",""
"4034835","9.871","0.0006","12.4156","0.0008","20.595","0.0011","90","","90","","90","","2524","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 B F4 N4 S -","- C22 H35 B F4 N4 S -","- C88 H140 B4 F16 N16 S4 -","4","1","","Smajlagic, Ivor; Durán, Rocio; Pilkington, Melanie; Dudding, Travis","Cyclopropenium Enhanced Thiourea Catalysis.","The Journal of organic chemistry","2018","83","22","13973","13980","10.1021/acs.joc.8b02321","","","0.71073","MoKα","","0.0486","0.0434","","","0.0848","0.0861","","","","","","1.607","","","","has coordinates","226355","2020-10-21","18:00:00",""
"4034836","13.876","0.0016","8.3029","0.001","16.3492","0.0019","90","","109.509","0.002","90","","1775.5","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Liu, Si-Wei; Gao, Ying-Juan; Shi, Yin; Zhou, Lin; Tang, Xue; Cui, Hai-Lei","Synthesis of Benzoindolizines through 1,5-Electrocyclization/Oxidation Cascades.","The Journal of organic chemistry","2018","83","22","13754","13764","10.1021/acs.joc.8b02065","","","0.71073","MoKα","","0.0732","0.0438","","","0.106","0.1241","","","","","","1.021","","","","has coordinates","226356","2020-10-21","18:00:00",""
"4034837","49.965","0.003","11.2745","0.0006","17.0005","0.0009","90","","106.754","0.002","90","","9170.4","0.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 F3 O2 -","- C20 H11 F3 O2 -","- C480 H264 F72 O48 -","24","3","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.1221","0.0714","","","0.1321","0.1494","","","","","","1.101","","","","has coordinates","226357","2020-10-21","18:00:00",""
"4034838","16.332","0.0007","5.8285","0.0003","18.1478","0.0009","90","","110.894","0.002","90","","1613.91","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C80 H60 Br4 O8 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0784","0.0435","","","0.0665","0.0742","","","","","","1.077","","","","has coordinates","226358","2020-10-21","18:00:00",""
"4034839","18.9528","0.0012","8.6413","0.0004","20.2208","0.0012","90","","90","","90","","3311.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F O2 -","- C22 H17 F O2 -","- C176 H136 F8 O16 -","8","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0874","0.048","","","0.0998","0.119","","","","","","1.067","","","","has coordinates","226359","2020-10-21","18:00:00",""
"4034840","8.8809","0.0007","9.9983","0.0008","12.0332","0.001","93.22","0.003","110.773","0.003","94.323","0.003","992.23","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F O6 -","- C24 H21 F O6 -","- C48 H42 F2 O12 -","2","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0495","0.0414","","","0.1038","0.1081","","","","","","1.047","","","","has coordinates","226360","2020-10-21","18:00:00",""
"4034841","8.7051","0.0003","17.9724","0.0006","10.7664","0.0004","90","","112.431","0.001","90","","1556.98","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C72 H52 Br4 N8 O8 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0778","0.0454","","","0.0799","0.092","","","","","","1.038","","","","has coordinates","226361","2020-10-21","18:00:00",""
"4034842","7.7883","0.0004","11.6157","0.0006","18.1845","0.001","90","","90","","90","","1645.09","0.15","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0606","0.0447","","","0.0948","0.1014","","","","","","1.055","","","","has coordinates","226362","2020-10-21","18:00:00",""
"4034843","8.002","0.005","10.041","0.006","14.272","0.009","90","","101.839","0.01","90","","1122.3","1.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl N3 O5 -","- C24 H22 Cl N3 O5 -","- C48 H44 Cl2 N6 O10 -","2","1","","Kato, Shuma; Suzuki, Yuko; Suzuki, Kota; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Silver-Catalyzed Diastereo- and Enantioselective Michael Addition and 1,3-Dipolar Cycloaddition Reactions of Imino Esters to 3-Methyl-4-nitro-5-styrylisoxazoles.","The Journal of organic chemistry","2018","83","22","13965","13972","10.1021/acs.joc.8b02309","","","0.71075","MoKα","","0.0675","0.048","","","0.089","0.0998","","","","","","0.96","","","","has coordinates","226363","2020-10-21","18:00:00",""
"4034844","9.8988","0.0007","10.1507","0.0007","10.2605","0.0008","111.653","0.002","95.303","0.002","114.76","0.002","832.05","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","0.71073","MoKα","","0.0662","0.0477","","","0.1223","0.1355","","","","","","1.017","","","","has coordinates","226364","2020-10-21","18:00:00",""
"4034845","18.081","0.002","16.06","0.002","13.683","0.003","90","","97.75","0.014","90","","3937","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Br O4 S -","- C22 H17 Br O4 S -","- C176 H136 Br8 O32 S8 -","8","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.0886","0.0501","","","0.126","0.1739","","","","","","0.977","","","","has coordinates","226365","2020-10-21","18:00:00",""
"4034846","9.945","0.0017","9.9498","0.0015","18.21","0.003","90","","103.549","0.018","90","","1751.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O7 S -","- C18 H18 O7 S -","- C72 H72 O28 S4 -","4","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.086","0.0721","","","0.1844","0.1967","","","","","","1.326","","","","has coordinates","226366","2020-10-21","18:00:00",""
"4034847","8.7061","0.0007","10.3173","0.0007","12.389","0.0008","78.715","0.006","73.044","0.007","87.566","0.006","1043.74","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F O3 S2 -","- C22 H21 F O3 S2 -","- C44 H42 F2 O6 S4 -","2","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.0511","0.0416","","","0.1342","0.1446","","","","","","1.072","","","","has coordinates","226367","2020-10-21","18:00:00",""
"4034848","9.7362","0.0008","14.1432","0.0011","15.9734","0.0012","105.417","0.004","90.289","0.004","98.775","0.004","2093.2","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3.5 H3 Cl0.33 O0.5 S0.33 -","- C3.5 H2.91667 Cl0.333333 O0.5 S0.333333 -","- C84 H70 Cl8 O12 S8 -","24","12","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","1.54178","CuKα","","0.1533","0.1086","","","0.2805","0.3136","","","","","","1.049","","","","has coordinates","226368","2020-10-21","18:00:00",""
"4034849","29.068","0.003","8.7264","0.0008","17.6647","0.0017","90","","98.078","0.01","90","","4436.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl O4 S -","- C22 H19 Cl O4 S -","- C176 H152 Cl8 O32 S8 -","8","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","0.71073","MoKα","","0.099","0.0536","","","0.1284","0.149","","","","","","0.952","","","","has coordinates,has disorder","226369","2020-10-21","18:00:00",""
"4034850","7.312","0.003","8.177","0.003","27.472","0.011","90","","91.36","0.004","90","","1642.1","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Xiao, Xinsheng; Jia, Guokai; Liu, Fang; Ou, Guangchuan; Xie, Ying","RuHCl(CO)(PPh<sub>3</sub>)<sub>3</sub>-Catalyzed Direct Amidation of Arene C-H Bond with Azides.","The Journal of organic chemistry","2018","83","22","13811","13820","10.1021/acs.joc.8b02123","","","0.71073","MoKα","","0.0479","0.0424","","","0.1204","0.1255","","","","","","1.039","","","","has coordinates","226370","2020-10-21","18:00:00",""
"4034851","14.355","0.0007","14.3892","0.0007","14.7769","0.0007","90","","114.37","0.002","90","","2780.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N O2 -","- C35 H33 N O2 -","- C140 H132 N4 O8 -","4","1","","Wu, Xin-Xing; Liu, Anjia; Mou, Mou; Chen, Hengfan; Chen, Shufeng","Palladium-Catalyzed Cascade Carbopalladation/Phenol Dearomatization Reaction: Construction of Diversely Functionalized Spirocarbocyclic Scaffolds.","The Journal of organic chemistry","2018","83","22","14181","14194","10.1021/acs.joc.8b02363","","","0.71073","MoKα","","0.0662","0.0533","","","0.1387","0.1541","","","","","","1.037","","","","has coordinates","226371","2020-10-21","18:00:00",""
"4034852","8.7721","0.0006","10.9916","0.0007","11.762","0.0008","71.533","0.002","76.722","0.002","68.484","0.002","992.41","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl3 N2 S -","- C22 H15 Cl3 N2 S -","- C44 H30 Cl6 N4 S2 -","2","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0391","0.0361","","","0.0918","0.0944","","","","","","1.066","","","","has coordinates","226372","2020-10-21","18:00:00",""
"4034853","19.3518","0.001","16.6426","0.0009","26.0808","0.0014","90","","103.78","0.002","90","","8157.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13.28571 H10.42857 N2.14286 S -","- C13.2857 H10.4286 N2.14286 S -","- C372 H292 N60 S28 -","28","7","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0411","0.034","","","0.0826","0.0868","","","","","","1.058","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034854","19.118","0.0006","9.6242","0.0003","13.9894","0.0004","90","","120.51","0.001","90","","2217.59","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N4 S2 -","- C26 H20 N4 S2 -","- C104 H80 N16 S8 -","4","0.5","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0421","0.0373","","","0.091","0.094","","","","","","1.122","","","","has coordinates","226374","2020-10-21","18:00:00",""
"4034855","9.4912","0.0008","9.683","0.0007","11.2408","0.001","83.928","0.006","81.695","0.007","69.792","0.007","957.57","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Obydennov, Dmitrii L.; El-Tantawy, Asmaa I; Sosnovskikh, Vyacheslav Y.","Synthesis of Multifunctionalized 2,3-Dihydro-4-pyridones and 4-Pyridones via the Reaction of Carbamoylated Enaminones with Aldehydes.","The Journal of organic chemistry","2018","83","22","13776","13786","10.1021/acs.joc.8b02075","","","0.71073","MoKα","","0.1137","0.0637","","","0.1615","0.2151","","","","","","1.007","","","","has coordinates","226375","2020-10-21","18:00:00",""
"4034856","11.2787","0.0002","10.57881","0.00017","31.2091","0.0005","90","","90","","90","","3723.72","0.11","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0547","0.0408","","","0.1096","0.122","","","","","","1.009","","","","has coordinates","226376","2020-10-21","18:00:00",""
"4034857","12.692","0.0018","12.8497","0.0014","19.663","0.005","94.683","0.014","107.646","0.017","90.179","0.01","3044.4","1","100.3","0.1","100.3","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C47.38 H28 O1.5 -","- C47.375 H28 O1.5 -","- C189.5 H112 O6 -","4","2","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.2153","0.1121","","","0.2665","0.3595","","","","","","1.027","","","","has coordinates,has disorder","226377","2020-10-21","18:00:00",""
"4034858","12.7858","0.0006","9.8955","0.0005","11.8458","0.0006","90","","94.954","0.005","90","","1493.15","0.13","100.01","0.01","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O -","- C24 H14 O -","- C96 H56 O4 -","4","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0747","0.0513","","","0.1323","0.1517","","","","","","1.036","","","","has coordinates","226378","2020-10-21","18:00:00",""
"4034859","10.0272","0.0002","15.6481","0.0004","13.5191","0.0004","90","","109.497","0.003","90","","1999.6","0.1","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 O -","- C31 H20 O -","- C124 H80 O4 -","4","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","0.71","MoKα","","0.0592","0.0491","","","0.1352","0.1435","","","","","","1.039","","","","has coordinates","226379","2020-10-21","18:00:00",""
"4034860","8.4239","0.0004","16.551","0.0007","7.518","0.0003","90","","90","","90","","1048.19","0.08","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C9 H11 Cl3 O -","- C9 H11 Cl3 O -","- C36 H44 Cl12 O4 -","4","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","","0.71073","MoKα","","0.0251","0.0218","","0.0281","0.0263","0.0263","","","","","","1.1034","","","","has coordinates","226380","2020-10-21","18:00:00",""
"4034861","7.4888","0.0005","8.8924","0.0006","9.2043","0.0006","83.085","0.006","86.309","0.006","81.87","0.006","601.67","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Br2 Cl O -","- C10 H13 Br2 Cl O -","- C20 H26 Br4 Cl2 O2 -","2","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","x-ray","0.71073","MoKα","","0.0623","0.0404","","","0.082","0.0982","","","","","","1.064","","","","has coordinates","226381","2020-10-21","18:00:00",""
"4034862","7.3031","0.0006","8.917","0.0007","9.1413","0.0008","81.507","0.007","85.452","0.007","80.354","0.007","579.54","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Cl3 O -","- C10 H13 Cl3 O -","- C20 H26 Cl6 O2 -","2","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","x-ray","0.71073","MoKα","","0.0602","0.0412","","","0.0774","0.0913","","","","","","1.058","","","","has coordinates","226382","2020-10-21","18:00:00",""
"4034863","8.6493","0.0003","11.5382","0.0004","39.4347","0.0014","90","","90","","90","","3935.5","0.2","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H48 O10 -","- C45 H48 O10 -","- C180 H192 O40 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0359","0.0337","","","0.0916","0.0934","","","","","","1.027","","","","has coordinates","226383","2020-10-21","18:00:00",""
"4034864","14.8145","0.0014","15.5156","0.0015","19.1787","0.0019","90","","90","","90","","4408.3","0.7","205","","205","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 O13 -","- C45 H50 O13 -","- C180 H200 O52 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0437","0.0403","","","0.1147","0.1175","","","","","","1.038","","","","has coordinates","226384","2020-10-21","18:00:00",""
"4034865","12.4751","0.0004","19.2998","0.0003","24.0776","0.0007","90","","128.667","0.005","90","","4526.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O4 S2 -","- C25 H19 N3 O4 S2 -","- C200 H152 N24 O32 S16 -","8","2","","Lu, Shuai; Tian, Lu-Lu; Cui, Tian-Wei; Zhu, Yu-Shen; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Mediated C-H Amination of Imidazopyridines with N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","22","13991","14000","10.1021/acs.joc.8b02348","","x-ray","1.54184","CuKα","","0.0583","0.047","","","0.1432","0.1555","","","","","","1.072","","","","has coordinates","226385","2020-10-21","18:00:00",""
"4034866","8.5148","0.0009","20.027","0.002","21.654","0.002","90","","90","","90","","3692.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 Cl3 N4 O4 -","- C39 H43 Cl3 N4 O4 -","- C156 H172 Cl12 N16 O16 -","4","1","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via <sup>1</sup>H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.0446","0.04","","","0.1068","0.1101","","","","","","1.047","","","","has coordinates","226386","2020-10-21","18:00:00",""
"4034867","15.809","0.003","37.886","0.008","26.539","0.005","90","","92.29","0.03","90","","15883","5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H40 Cl2 N4 O4 -","- C38 H40 Cl2 N4 O4 -","- C608 H640 Cl32 N64 O64 -","16","8","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via <sup>1</sup>H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.1138","0.1032","","","0.2902","0.3035","","","","","","1.081","","","","has coordinates","226387","2020-10-21","18:00:00",""
"4034868","10.2343","0.001","22.018","0.002","19.33","0.0019","90","","91.074","0.002","90","","4355","0.7","172","2","172","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 F3 O3.5 P2 Pd S -","- C50 H44 F3 O3.5 P2 Pd S -","- C200 H176 F12 O14 P8 Pd4 S4 -","4","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.1175","0.0905","","","0.2009","0.2124","","","","","","0.994","","","","has coordinates,has disorder","276331","2022-06-28","15:21:15",""
"4034869","21.679","0.006","8.287","0.002","15.398","0.005","90","","106.663","0.005","90","","2650.1","1.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0523","0.041","","","0.1122","0.118","","","","","","1.079","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034870","16.0549","0.0014","6.3429","0.0006","27.394","0.003","90","","90","","90","","2789.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0793","0.0463","","","0.1299","0.1488","","","","","","1.022","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034871","9.5733","0.0003","11.0102","0.0005","12.0302","0.0004","77.447","0.004","67.451","0.003","85.529","0.003","1143.08","0.08","150","","150","","","","","","","","local","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","","1.54184","CuKα","","0.0439","0.0406","","0.1094","0.1063","0.1094","","","","","","0.9894","","","","has coordinates","226391","2020-10-21","18:00:00",""
"4034872","9.5839","0.0001","12.703","0.0001","24.8305","0.0003","90","","90","","90","","3022.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C128 H224 O16 -","8","2","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.04","0.0396","","","0.1085","0.1092","","","","","","1.037","","","","has coordinates","226392","2020-10-21","18:00:00",""
"4034873","6.3617","0.0002","8.7528","0.0002","26.7339","0.0007","90","","90","","90","","1488.62","0.07","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C64 H112 O8 -","4","1","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.0513","0.0449","","","0.1091","0.1125","","","","","","1.034","","","","has coordinates","226393","2020-10-21","18:00:00",""
"4034874","28.813","0.002","28.813","0.002","6.1244","0.0007","90","","90","","90","","5084.4","0.8","93","","93","","","","","","","","","4","I 4","I 4","79","","","","- C26 H40 O5.25 Si -","- C26 H40 O5.0625 Si -","- C208 H320 O40.5 Si8 -","8","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0699","0.0584","","","0.1425","0.1485","","","","","","1.053","","","","has coordinates,has disorder","226394","2020-10-21","18:00:00",""
"4034875","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","226395","2020-10-21","18:00:00",""
"4034876","18.622","0.003","14.558","0.002","13.376","0.002","90","","124.061","0.002","90","","3004.1","0.8","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H39 Br Cl2 O7 -","- C31 H39 Br Cl2 O7 -","- C124 H156 Br4 Cl8 O28 -","4","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0865","0.0613","","","0.1364","0.1495","","","","","","1.041","","","","has coordinates,has disorder","226396","2020-10-21","18:00:00",""
"4034877","13.866","0.002","9.4032","0.0015","22.169","0.004","90","","90","","90","","2890.5","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C128 H128 O32 S8 -","8","1","","Gao, Yuzhen; Zhang, Pengbo; Li, Gang; Zhao, Yufen","Cascade Annulation of 2-Alkynylthioanisoles with Unsaturated α-Bromocarbonyls Leading to Thio-Benzobicyclic Skeletons.","The Journal of organic chemistry","2018","83","22","13726","13733","10.1021/acs.joc.8b02001","","","0.71073","MoKα","","0.0667","0.0609","","","0.1888","0.1982","","","","","","0.764","","","","has coordinates","226397","2020-10-21","18:00:00",""
"4034878","19.084","0.004","7.094","0.0012","19.804","0.003","90","","104.739","0.018","90","","2592.9","0.8","295","2","295.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-((1E,3E)-4-(4-chlorophenyl)buta-1,3-dien-1-yl)-1-tosyl-1H-indole","","- C31 H24 Cl N O2 S -","- C31 H24 Cl N O2 S -","- C124 H96 Cl4 N4 O8 S4 -","4","1","","Makarov, Anton S.; Uchuskin, Maxim G.; Gevorgyan, Vladimir","Intramolecular Palladium-Catalyzed Oxidative Amination of Furans: Synthesis of Functionalized Indoles.","The Journal of organic chemistry","2018","83","22","14010","14021","10.1021/acs.joc.8b02470","","x-ray","0.71073","MoKα","","0.104","0.0542","","","0.1293","0.1616","","","","","","0.985","","","","has coordinates","226398","2020-10-21","18:00:00",""
"4034879","11.655","0.003","28.028","0.006","7.709","0.002","90","","100.72","0.03","90","","2474.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cl N O2 S -","- C31 H22 Cl N O2 S -","- C124 H88 Cl4 N4 O8 S4 -","4","1","","Makarov, Anton S.; Uchuskin, Maxim G.; Gevorgyan, Vladimir","Intramolecular Palladium-Catalyzed Oxidative Amination of Furans: Synthesis of Functionalized Indoles.","The Journal of organic chemistry","2018","83","22","14010","14021","10.1021/acs.joc.8b02470","","x-ray","0.71073","MoKα","","0.2182","0.1092","","","0.2409","0.3253","","","","","","1.0444","","","","has coordinates","226399","2020-10-21","18:00:00",""
"4034880","9.3106","0.0008","8.6278","0.0006","29.283","0.003","90","","93.252","0.008","90","","2348.5","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br N2 O2 S2 -","- C25 H21 Br N2 O2 S2 -","- C100 H84 Br4 N8 O8 S8 -","4","1","","Wu, Li; Li, Zhenmin; Lu, Ping; Wang, Yanguang","Copper-Catalyzed Syntheses of 3-Allyl-3-arylthioindolin-2-imines and 3-Allenyl-3-arylthioindolin-2-imines from 3-Diazoindolin-2-imines.","The Journal of organic chemistry","2018","83","22","13956","13964","10.1021/acs.joc.8b02307","","","0.71073","MoKα","","0.0962","0.0597","","","0.12","0.1389","","","","","","1.02","","","","has coordinates","226400","2020-10-21","18:00:00",""
"4034881","13.2579","0.0002","26.1617","0.0004","6.9156","0.0001","90","","101.944","0.002","90","","2346.74","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1S,8S)-tert-butyl 8-(3-bromophenyl)-6-(4-fluorobenzyl)-7-oxo-2,6-diazabicyclo[6.1.0]nonane-2-carboxylate","","- C25 H28 Br F N2 O3 -","- C25 H28 Br F N2 O3 -","- C100 H112 Br4 F4 N8 O12 -","4","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0352","0.0293","","","0.0731","0.0771","","","","","","1.038","","","","has coordinates","226401","2020-10-21","18:00:00",""
"4034882","12.4593","0.0002","6.8297","0.0001","13.4353","0.0002","90","","101.635","0.001","90","","1119.76","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,7S)-tert-butyl 5-benzyl-7-(3-chlorophenyl)-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C24 H27 Cl N2 O3 -","- C24 H27 Cl N2 O3 -","- C48 H54 Cl2 N4 O6 -","2","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0366","0.033","","","0.0873","0.0907","","","","","","1.061","","","","has coordinates","226402","2020-10-21","18:00:00",""
"4034883","46.2855","0.0008","9.98373","0.00017","11.17619","0.00019","90","","96.7896","0.0017","90","","5128.32","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 6-oxo-5,7,8-triphenyl-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C30 H32 N2 O3 -","- C30 H32 N2 O3 -","- C240 H256 N16 O24 -","8","2","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0573","0.053","","","0.1411","0.1472","","","","","","1.047","","","","has coordinates","226403","2020-10-21","18:00:00",""
"4034884","10.1247","0.0001","13.3032","0.0001","18.0026","0.0001","90","","90","","90","","2424.79","0.03","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,4S,7S)-tert-butyl 5-benzyl-7-(4-hydroxyphenyl)-4-isopropyl-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C27 H33 F N2 O3 -","- C27 H33 F N2 O3 -","- C108 H132 F4 N8 O12 -","4","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0261","0.0259","","","0.0668","0.067","","","","","","1.069","","","","has coordinates","226404","2020-10-21","18:00:00",""
"4034885","9.7058","0.0008","8.7259","0.0007","10.6058","0.0009","90","","93.731","0.002","90","","896.32","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Br O2 -","- C9 H11 Br O2 -","- C36 H44 Br4 O8 -","4","1","","Kim, Simon J.; Lough, Alan J.; Batey, Robert A.","An Approach to the 9-Oxo-10-oxabicyclo[5.3.0]dec-2-ene Core of the Guaianolide and Pseudoguaianolide Sesquiterpenes via a Domino Electrocyclic Ring-Opening/Carboxylic Acid Trapping of a gem-Dibromocyclopropane.","The Journal of organic chemistry","2018","83","22","13799","13810","10.1021/acs.joc.8b02081","","","0.71073","MoKα","","0.0464","0.0353","","","0.0748","0.081","","","","","","1.071","","","","has coordinates,has disorder","226405","2020-10-21","18:00:00",""
"4034886","8.6931","0.0006","10.0516","0.0007","9.0312","0.0007","90","","97.883","0.002","90","","781.69","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Br O2 -","- C8 H9 Br O2 -","- C32 H36 Br4 O8 -","4","1","","Kim, Simon J.; Lough, Alan J.; Batey, Robert A.","An Approach to the 9-Oxo-10-oxabicyclo[5.3.0]dec-2-ene Core of the Guaianolide and Pseudoguaianolide Sesquiterpenes via a Domino Electrocyclic Ring-Opening/Carboxylic Acid Trapping of a gem-Dibromocyclopropane.","The Journal of organic chemistry","2018","83","22","13799","13810","10.1021/acs.joc.8b02081","","","0.71073","MoKα","","0.0233","0.0176","","","0.0438","0.046","","","","","","1.079","","","","has coordinates","226406","2020-10-21","18:00:00",""
"4034887","8.0587","0.0006","8.869","0.0007","10.2746","0.0008","82.634","0.003","75.552","0.003","88.084","0.003","705.26","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0405","0.0354","","","0.0889","0.0928","","","","","","1.053","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034888","22.457","0.003","5.2177","0.0007","25.976","0.003","90","","95.828","0.004","90","","3028","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0983","0.0561","","","0.1437","0.1661","","","","","","1.057","","","","has coordinates,has disorder","226407","2020-10-21","18:00:00",""
"4034889","6.8432","0.0002","18.7402","0.0007","11.7029","0.0004","90","","91.367","0.002","90","","1500.39","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0542","0.0421","","","0.1042","0.1116","","","","","","1.067","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034890","12.0101","0.0014","10.6094","0.0013","15.9081","0.0019","90","","111.667","0.003","90","","1883.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0542","0.0388","","","0.0968","0.1079","","","","","","1.022","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034891","35.856","0.006","5.1944","0.001","19.808","0.003","90","","118.174","0.01","90","","3252.1","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 O4.5 -","- C19 H23 O4.5 -","- C152 H184 O36 -","8","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.1516","0.1046","","","0.2618","0.2804","","","","","","1.236","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034892","7.5282","0.0006","8.2601","0.0007","13.8286","0.0012","93.465","0.004","104.206","0.003","116.505","0.003","731.54","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C36 H32 O10 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0427","0.0392","","","0.1054","0.1079","","","","","","1.134","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034893","9.1643","0.0002","15.052","0.0003","21.5352","0.0005","90","","90","","90","","2970.59","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Ryu, Heesun; Seo, Jeongseob; Ko, Haye Min","Synthesis of Spiro[oxindole-3,2'-pyrrolidine] Derivatives from Benzynes and Azomethine Ylides through 1,3-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","22","14102","14109","10.1021/acs.joc.8b02117","","","0.71073","MoKα","","0.0582","0.0444","","","0.1056","0.1138","","","","","","1.034","","","","has coordinates","226408","2020-10-21","18:00:00",""
"4034894","7.9342","0.0017","16.527","0.004","21.431","0.005","90","","90","","90","","2810.2","1.1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C160 H96 O16 S8 -","8","1","","Shi, Juan; Kang, Yang; Wang, Tao; Liang, Yong; Zhang, Zunting","Synthesis of Polycyclic Heteroaromatic Coumarins via Photoinduced Dehydrogenative Annulation of 4-Phenyl-3-heteroarylcoumarins.","The Journal of organic chemistry","2018","83","22","13940","13948","10.1021/acs.joc.8b02290","","","1.54178","CuKα","","0.0551","0.0444","","","0.1175","0.1201","","","","","","1.109","","","","has coordinates","226409","2020-10-21","18:00:00",""
"4034895","19.682","0.003","12.2539","0.0016","20.071","0.003","90","","97.184","0.003","90","","4802.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H20 O2 S2 -","- C87 H20 O2 S2 -","- C348 H80 O8 S8 -","4","1","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1646","0.0877","","","0.143","0.1702","","","","","","1.077","","","","has coordinates","226410","2020-10-21","18:00:00",""
"4034896","10.1383","0.0009","26.353","0.002","34.019","0.003","90","","90","","90","","9089","1.3","293","2","293","2","","","","","","","","3","F d 2 d","F -2d -2d","43","","","","- C86 H20 O2 -","- C86 H20 O2 -","- C688 H160 O16 -","8","0.5","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1006","0.0608","","","0.1127","0.1332","","","","","","1.041","","","","has coordinates","226411","2020-10-21","18:00:00",""
"4034897","10.9355","0.0007","19.3692","0.0012","23.4651","0.0014","90","","91.993","0.001","90","","4967.2","0.5","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C86 H20 O2 -","- C86 H20 O2 -","- C344 H80 O8 -","4","1","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1055","0.0662","","","0.1421","0.1584","","","","","","0.982","","","","has coordinates","226412","2020-10-21","18:00:00",""
"4034898","8.8193","0.0007","14.8781","0.001","12.257","0.0008","90","","108.396","0.002","90","","1526.11","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H44 Cl Ir N3 O P -","- C29 H44 Cl Ir N3 O P -","- C58 H88 Cl2 Ir2 N6 O2 P2 -","2","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0349","0.0323","","","0.0841","0.0906","","","","","","1.034","","","","has coordinates","226413","2020-10-21","18:00:00",""
"4034899","10.079","0.0004","17.3965","0.0007","19.094","0.0007","90","","90","","90","","3347.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Cl3 Ir N3 O P -","- C30 H45 Cl3 Ir N3 O P -","- C120 H180 Cl12 Ir4 N12 O4 P4 -","4","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0422","0.0335","","","0.0587","0.0614","","","","","","1.024","","","","has coordinates,has disorder","226414","2020-10-21","18:00:00",""
"4034900","8.7586","0.0004","10.9593","0.0005","16.2878","0.0007","90","","90","","90","","1563.44","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C72 H76 N4 O28 -","4","1","","Borisova, Kseniya K.; Kvyatkovskaya, Elizaveta A.; Nikitina, Eugeniya V.; Aysin, Rinat R.; Novikov, Roman A.; Zubkov, Fedor I.","Classical Example of Total Kinetic and Thermodynamic Control: The Diels-Alder Reaction between DMAD and Bis-furyl Dienes.","The Journal of organic chemistry","2018","83","8","4840","4850","10.1021/acs.joc.8b00336","","","0.71073","MoKα","","0.0407","0.0346","","","0.0846","0.0876","","","","","","1.032","","","","has coordinates","226416","2020-10-21","18:00:00",""
"4034901","11.8081","0.0006","8.2915","0.0004","16.5801","0.0009","90","","91.337","0.001","90","","1622.86","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C72 H76 N4 O28 -","4","1","","Borisova, Kseniya K.; Kvyatkovskaya, Elizaveta A.; Nikitina, Eugeniya V.; Aysin, Rinat R.; Novikov, Roman A.; Zubkov, Fedor I.","Classical Example of Total Kinetic and Thermodynamic Control: The Diels-Alder Reaction between DMAD and Bis-furyl Dienes.","The Journal of organic chemistry","2018","83","8","4840","4850","10.1021/acs.joc.8b00336","","","0.71073","MoKα","","0.0718","0.0483","","","0.1209","0.1289","","","","","","1.069","","","","has coordinates","226417","2020-10-21","18:00:00",""
"4034902","5.6312","0.0002","13.6957","0.0006","15.9894","0.0006","90","","90","","90","","1233.15","0.08","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Richardson, Mark B.; Brown, Derek B.; Vasquez, Carlos A.; Ziller, Joseph W.; Johnston, Kevin M.; Weiss, Gregory A.","Synthesis and Explosion Hazards of 4-Azido-l-phenylalanine.","The Journal of organic chemistry","2018","83","8","4525","4536","10.1021/acs.joc.8b00270","","","0.71073","MoKα","","0.027","0.0253","","","0.064","0.065","","","","","","1.062","","","","has coordinates","226418","2020-10-21","18:00:00",""
"4034903","10.0969","0.0003","24.9962","0.0007","13.2961","0.0004","90","","110.034","0.001","90","","3152.67","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl4 N O2 P -","- C34 H28 Cl4 N O2 P -","- C136 H112 Cl16 N4 O8 P4 -","4","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.0798","0.0643","","","0.173","0.1898","","","","","","1.032","","","","has coordinates,has disorder","226419","2020-10-21","18:00:00",""
"4034904","13.4763","0.0008","18.3817","0.001","25.4001","0.0013","90","","90","","90","","6292","0.6","173","2","173.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl2 N O3 P -","- C37 H32 Cl2 N O3 P -","- C296 H256 Cl16 N8 O24 P8 -","8","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.1197","0.0785","","","0.1926","0.2189","","","","","","1.043","","","","has coordinates,has disorder","226420","2020-10-21","18:00:00",""
"4034905","12.6198","0.0004","13.9656","0.0004","9.6933","0.0003","90","","90","","90","","1708.38","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H28 B F3 N2 -","- C15 H28 B F3 N2 -","- C60 H112 B4 F12 N8 -","4","1","","Mir, Roya; Dudding, Travis","Bis(amino)cyclopropenium Trifluoroborates: Synthesis, Hydrolytic Stability Studies, and DFT Insights.","The Journal of organic chemistry","2018","83","8","4384","4388","10.1021/acs.joc.8b00060","","","0.71073","MoKα","","0.048","0.0401","","","0.1043","0.1088","","","","","","1.051","","","","has coordinates","226421","2020-10-21","18:00:00",""
"4034906","9.637","0.003","13.663","0.006","14.998","0.007","116.82","0.05","91.45","0.03","106.44","0.03","1663.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H20 F12 N4 O3 -","- C36 H20 F12 N4 O3 -","- C72 H40 F24 N8 O6 -","2","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","Synthesis and Characterization of Isodiphenylfluorindone and Isodiphenylfluorindinone.","The Journal of organic chemistry","2018","83","8","4754","4761","10.1021/acs.joc.8b00554","","","1.54184","CuKα","","0.2394","0.1736","","","0.4053","0.4953","","","","","","1.273","","","","has coordinates","226422","2020-10-21","18:00:00",""
"4034907","27.52","0.006","5.4702","0.0011","21.104","0.004","90","","90","","90","","3177","1.1","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(3-diazo-2-oxopropyl)-4-methyl-N-phenylbenzenesulfonamide","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C128 H120 N24 O24 S8 -","8","2","","Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio","α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.","The Journal of organic chemistry","2018","83","8","4336","4347","10.1021/acs.joc.7b03134","","x-ray","0.71073","MoKα","","0.153","0.0613","","","0.093","0.1144","","","","","","1.012","","","","has coordinates","226423","2020-10-21","18:00:00",""
"4034908","34.532","0.007","5.4982","0.0011","24.983","0.005","90","","128.57","0.03","90","","3709","2","200","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(3-diazo-2-oxopropyl)-4-methyl-N-phenylbenzenesulfonamide","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C128 H120 N24 O24 S8 -","8","1","","Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio","α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.","The Journal of organic chemistry","2018","83","8","4336","4347","10.1021/acs.joc.7b03134","","x-ray","0.71073","MoKα","","0.068","0.0417","","","0.1148","0.126","","","","","","1.061","","","","has coordinates,has disorder","226424","2020-10-21","18:00:00",""
"4034909","9.352","0.003","9.221","0.003","11.844","0.003","90","","109.862","0.004","90","","960.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","1","","Wang, Yang; Deng, Lingling; Deng, Yu; Han, Jianlin","Copper-Catalyzed Multicomponent Reaction of DABCO·(SO<sub>2</sub>)<sub>2</sub>, Alcohols, and Aryl Diazoniums for the Synthesis of Sulfonic Esters.","The Journal of organic chemistry","2018","83","8","4674","4680","10.1021/acs.joc.8b00447","","","0.71073","MoKα","","0.0473","0.0443","","","0.1308","0.1429","","","","","","1.07","","","","has coordinates","226425","2020-10-21","18:00:00",""
"4034910","16.2541","0.0013","5.099","0.0003","16.9467","0.0011","90","","96.534","0.003","90","","1395.41","0.17","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Palladium-Catalyzed Decarboxylative ortho-Amidation of Indole-3-carboxylic Acids with Isothiocyanates Using Carboxyl as a Deciduous Directing Group.","The Journal of organic chemistry","2018","83","8","4375","4383","10.1021/acs.joc.8b00042","","","0.71073","MoKα","","0.0853","0.0521","","","0.124","0.1393","","","","","","1.023","","","","has coordinates","226426","2020-10-21","18:00:00",""
"4034911","17.005","0.003","15.917","0.002","30.298","0.005","90","","99.023","0.003","90","","8099","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 N6 O4 -","- C52 H42 N6 O4 -","- C416 H336 N48 O32 -","8","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Palladium-Catalyzed Decarboxylative ortho-Amidation of Indole-3-carboxylic Acids with Isothiocyanates Using Carboxyl as a Deciduous Directing Group.","The Journal of organic chemistry","2018","83","8","4375","4383","10.1021/acs.joc.8b00042","","","0.71073","MoKα","","0.1129","0.0759","","","0.1639","0.1822","","","","","","1.095","","","","has coordinates,has disorder","226426","2020-10-21","18:00:00",""
"4034912","26.6839","0.001","26.6839","0.001","10.228","0.0007","90","","90","","90","","7282.6","0.6","100","0.1","100","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C320 H352 N32 O48 S16 -","16","1","","Liu, Xiaozu; Zhou, Yuxiang; Yang, Zhongqin; Li, Qin; Zhao, Liang; Liu, Peijun","Iodine-Catalyzed C-H Amidation and Imination at the 2α-Position of 2,3-Disubstituted Indoles with Chloramine Salts.","The Journal of organic chemistry","2018","83","8","4665","4673","10.1021/acs.joc.8b00286","","x-ray","0.71073","MoKα","","0.0805","0.0541","","","0.1239","0.1373","","","","","","1.049","","","","has coordinates","226427","2020-10-21","18:00:00",""
"4034913","7.6536","0.0007","10.6513","0.0008","11.9897","0.0011","108.64","0.007","105.947","0.008","102.109","0.007","841.66","0.15","138","50","138","50","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","","Liu, Xiaozu; Zhou, Yuxiang; Yang, Zhongqin; Li, Qin; Zhao, Liang; Liu, Peijun","Iodine-Catalyzed C-H Amidation and Imination at the 2α-Position of 2,3-Disubstituted Indoles with Chloramine Salts.","The Journal of organic chemistry","2018","83","8","4665","4673","10.1021/acs.joc.8b00286","","x-ray","0.71073","MoKα","","0.0776","0.06","","","0.1392","0.163","","","","","","1.019","","","","has coordinates","226428","2020-10-21","18:00:00",""
"4034914","10.668","0.0004","27.3709","0.0011","8.7513","0.0003","90","","97.269","0.001","90","","2534.78","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Br O3 S -","- C30 H25 Br O3 S -","- C120 H100 Br4 O12 S4 -","4","1","","Xiao, Guolan; Ma, Chaoqun; Wu, Xiang; Xing, Dong; Hu, Wenhao","Synthesis of γ-Sulfur-Substituted Ketones via Rh(II)/Sc(III) a Cocatalyzed Three-Component Reaction of Diazo Compounds with Thiophenols and Enones.","The Journal of organic chemistry","2018","83","8","4786","4791","10.1021/acs.joc.7b03074","","","0.71073","MoKα","","0.0421","0.0343","","","0.0842","0.0884","","","","","","1.027","","","","has coordinates","226429","2020-10-21","18:00:00",""
"4034915","10.6723","0.0008","15.0547","0.001","8.1047","0.0005","90","","90","","90","","1302.17","0.15","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Lee, Heejin; Lee, Jae Kyun; Min, Sun-Joon; Seo, Hyeonglim; Lee, Youngbok; Rhee, Hakjune","Copper(I)-Catalyzed Synthesis of 1,4-Disubstituted 1,2,3-Triazoles from Azidoformates and Aryl Terminal Alkynes.","The Journal of organic chemistry","2018","83","8","4805","4811","10.1021/acs.joc.8b00022","","","0.71075","MoKα","","0.0394","0.0299","","","0.0714","0.0759","","","","","","1.015","","","","has coordinates","226430","2020-10-21","18:00:00",""
"4034916","5.8015","0.0009","7.985","0.0012","22.001","0.003","90","","90","","90","","1019.2","0.3","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.044","0.0404","","","0.097","0.0989","","","","","","1.0645","","","","has coordinates","226431","2020-10-21","18:00:00",""
"4034917","8.255","0.0004","8.7337","0.0004","15.3572","0.0007","90","","104.438","0.001","90","","1072.24","0.09","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0385","0.0331","","","0.088","0.0921","","","","","","1.028","","","","has coordinates","226432","2020-10-21","18:00:00",""
"4034918","8.1003","0.0016","9.038","0.002","12.516","0.004","100.87","0.02","106.9","0.02","93.36","0.02","854.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C34 H42 N2 O14 -","2","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","1.54184","CuKα","","0.0715","0.0475","","","0.114","0.129","","","","","","1.033","","","","has coordinates","226433","2020-10-21","18:00:00",""
"4034919","7.9354","0.0005","16.2482","0.0011","10.2188","0.0007","90","","92.368","0.001","90","","1316.45","0.15","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O7 -","- C12 H18 O7 -","- C48 H72 O28 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0524","0.0418","","","0.1061","0.1132","","","","","","1.026","","","","has coordinates","226434","2020-10-21","18:00:00",""
"4034920","8.7888","0.0005","9.4369","0.0005","9.6073","0.0005","65.552","0.001","70.103","0.001","79.802","0.001","681.46","0.06","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O7 -","- C12 H18 O7 -","- C24 H36 O14 -","2","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0476","0.0382","","","0.0998","0.1069","","","","","","1.035","","","","has coordinates","226435","2020-10-21","18:00:00",""
"4034921","6.94","0.0002","9.9344","0.0002","13.3649","0.0003","103.329","0.0013","90.5132","0.0013","109.293","0.0012","842.62","0.04","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C42 H38 N6 O2 -","2","1","","Jeong, Taejoo; Lee, Suk Hun; Chun, Rina; Han, Sangil; Han, Sang Hoon; Jeon, Yeong Uk; Park, Jihye; Yoshimitsu, Takehiko; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Aminocarbonylation of N-(Hetero)aryl-7-azaindoles with Isocyanates.","The Journal of organic chemistry","2018","83","8","4641","4649","10.1021/acs.joc.8b00388","","","0.71073","MoKα","","0.0641","0.0456","","","0.1088","0.1208","","","","","","1.039","","","","has coordinates","226436","2020-10-21","18:00:00",""
"4034922","12.9868","0.0002","7.0511","0.0001","27.6722","0.0003","90","","94.403","0.001","90","","2526.5","0.06","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N5 O3 -","- C28 H29 N5 O3 -","- C112 H116 N20 O12 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","1.54178","CuKα","","0.0437","0.0402","","","0.1112","0.1146","","","","","","1.043","","","","has coordinates","226437","2020-10-21","18:00:00",""
"4034923","10.6757","0.0019","9.8486","0.0017","27.386","0.005","90","","90","","90","","2879.4","0.9","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0663","0.0416","","","0.0942","0.1061","","","","","","1.056","","","","has coordinates","226438","2020-10-21","18:00:00",""
"4034924","7.3701","0.0009","9.5761","0.0012","16.635","0.002","100.276","0.002","91.347","0.002","102.839","0.002","1123.9","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","2","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0576","0.0427","","","0.1094","0.1193","","","","","","1.017","","","","has coordinates","226439","2020-10-21","18:00:00",""
"4034925","11.894","0.0019","7.2711","0.0011","22.184","0.003","90","","102.61","0.002","90","","1872.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SY-2-55-1","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0871","0.0461","","","0.1049","0.1231","","","","","","1.003","","","","has coordinates","226440","2020-10-21","18:00:00",""
"4034926","5.0802","0.0005","17.971","0.002","10.991","0.0011","90","","90.471","0.011","90","","1003.4","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0435","0.0365","","","0.0838","0.0879","","","","","","1.038","","","","has coordinates","226441","2020-10-21","18:00:00",""
"4034927","7.1401","0.0016","9.047","0.002","12.314","0.003","103.183","0.003","106.298","0.003","97.522","0.003","727","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0815","0.0449","","","0.0965","0.1122","","","","","","1.026","","","","has coordinates","226442","2020-10-21","18:00:00",""
"4034928","11.3381","0.0006","7.2556","0.0004","26.5552","0.0015","90","","102.097","0.001","90","","2136","0.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0527","0.0427","","","0.1116","0.1179","","","","","","1.046","","","","has coordinates","226443","2020-10-21","18:00:00",""
"4034929","7.839","0.0012","10.1239","0.001","13.0356","0.0012","67.583","0.009","83.056","0.01","72.226","0.011","910.7","0.2","293.18","0.11","293.18","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F3 N2 O2 -","- C20 H19 F3 N2 O2 -","- C40 H38 F6 N4 O4 -","2","1","","Chang, Bingbing; Su, Yingpeng; Huang, Danfeng; Wang, Ke-Hu; Zhang, Weigang; Shi, Ya; Zhang, Xinghu; Hu, Yulai","Synthesis of Trifluoroethyl Pyrazolines via Trichloroisocyanuric Acid Promoted Cascade Cyclization/Trifluoromethylation of β,γ-Unsaturated Hydrazones.","The Journal of organic chemistry","2018","83","8","4365","4374","10.1021/acs.joc.8b00009","","x-ray","0.71073","MoKα","","0.123","0.0714","","","0.1848","0.2015","","","","","","0.884","","","","has coordinates","226444","2020-10-21","18:00:00",""
"4034930","5.7958","0.00006","14.35143","0.00015","43.7743","0.0005","90","","90","","90","","3641.06","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H29 N O5 -","- C18 H29 N O5 -","- C144 H232 N8 O40 -","8","1","","Matías, Desirée M; Johnson, Jeffrey S.","Synthesis and Desymmetrization of meso Tricyclic Systems Derived from Benzene Oxide.","The Journal of organic chemistry","2018","83","8","4859","4866","10.1021/acs.joc.8b00523","","","1.54178","CuKα","","0.0638","0.0491","","","0.1242","0.1336","","","","","","1.057","","","","has coordinates","226445","2020-10-21","18:00:00",""
"4034931","6.3061","0.0016","12","0.003","30.47","0.008","90","","90","","90","","2305.8","1","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br N2 O6 S -","- C24 H17 Br N2 O6 S -","- C96 H68 Br4 N8 O24 S4 -","4","1","","Wang, Jiao-Jiao; Yang, Hui; Gou, Bo-Bo; Zhou, Ling; Chen, Jie","Enantioselective Organocatalytic Sulfenylation of β-Naphthols.","The Journal of organic chemistry","2018","83","8","4730","4738","10.1021/acs.joc.8b00487","","","0.71073","MoKα","","0.0892","0.0459","","","0.0871","0.1017","","","","","","0.987","","","","has coordinates","226446","2020-10-21","18:00:00",""
"4034932","5.6098","0.0004","9.7873","0.001","18.627","0.0015","90","","90.672","0.006","90","","1022.64","0.15","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 O2 S -","- C24 H24 O2 S -","- C48 H48 O4 S2 -","2","1","","Zhou, Ping-Xin; Zhang, Yalei; Ge, Chunbo; Liang, Yong-Min; Li, Changzheng","Palladium-Catalyzed Carbene Migratory Insertion and Trapping with Sulfinic Acid Salts toward Allylic Sulfones.","The Journal of organic chemistry","2018","83","8","4762","4768","10.1021/acs.joc.8b00615","","","0.71073","MoKα","","0.0986","0.0574","","","0.101","0.1212","","","","","","0.999","","","","has coordinates","226447","2020-10-21","18:00:00",""
"4034933","7.702","0.003","10.567","0.004","11.247","0.005","75.351","0.014","75.327","0.012","73.555","0.013","832.9","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O5 -","- C21 H16 O5 -","- C42 H32 O10 -","2","1","","Jana, Supriti; Mal, Dipakranjan","Anionic Annulation of 3-Cyanophthalides with Allene Carboxylates: A Carbon-Conserved Synthesis of Naphtho[ b]furanones.","The Journal of organic chemistry","2018","83","8","4537","4544","10.1021/acs.joc.8b00272","","x-ray","0.71073","MoKα","","0.1819","0.084","","","0.2024","0.2806","","","","","","0.94","","","","has coordinates,has disorder","226448","2020-10-21","18:00:00",""
"4034934","9.9497","0.0007","23.346","0.0012","10.337","0.0008","90","","117.278","0.009","90","","2134.1","0.3","293.4","0.3","293.4","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O -","- C28 H26 O -","- C112 H104 O4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.08","0.0673","","","0.1687","0.1842","","","","","","1.064","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034935","9.5076","0.0006","10.1735","0.0007","11.0649","0.0006","100.526","0.005","108.648","0.005","114.007","0.006","863.75","0.12","294.5","0.5","294.5","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0686","0.0627","","","0.1573","0.1674","","","","","","1.043","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034936","9.90789","0.00018","19.4213","0.0004","11.7413","0.0002","90","","90.2212","0.0017","90","","2259.29","0.07","296.31","0.1","296.31","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Cl -","- C31 H25 Cl -","- C124 H100 Cl4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0738","0.0706","","","0.2044","0.2083","","","","","","1.044","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034937","11.1052","0.0004","10.7198","0.0004","17.6163","0.0006","90","","104.009","0.004","90","","2034.77","0.13","294.2","0.4","294.2","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O S -","- C26 H24 O S -","- C104 H96 O4 S4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0719","0.0635","","","0.1804","0.1916","","","","","","1.027","","","","has coordinates,has disorder","226449","2020-10-21","18:00:00",""
"4034938","8.8859","0.0006","9.9045","0.0006","11.8557","0.0006","99.769","0.004","96.19","0.005","109.258","0.006","955.59","0.11","294.24","0.1","294.24","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 O -","- C26 H25 O -","- C52 H50 O2 -","2","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0678","0.063","","","0.1832","0.189","","","","","","1.048","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034939","11.6446","0.0004","7.3696","0.0002","23.0316","0.0008","90","","94.897","0.003","90","","1969.27","0.11","294.05","0.1","294.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O -","- C26 H26 O -","- C104 H104 O4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0695","0.0635","","","0.1632","0.1712","","","","","","1.027","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034940","10.5874","0.0004","15.9992","0.0006","16.6716","0.0006","112.501","0.0016","91.7686","0.0018","99.8707","0.0018","2555.93","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Br F O -","- C22 H14 Br F O -","- C132 H84 Br6 F6 O6 -","6","3","","Saha, Rajib; Arunprasath, Dhanarajan; Sekar, Govindasamy","Phosphine-Free and Reusable Palladium Nanoparticles-Catalyzed Domino Strategy: Synthesis of Indanone Derivatives.","The Journal of organic chemistry","2018","83","8","4692","4702","10.1021/acs.joc.8b00463","","","0.71073","MoKα","","0.0948","0.0365","","","0.0699","0.0831","","","","","","0.979","","","","has coordinates","226450","2020-10-21","18:00:00",""
"4034941","17.94","0.0006","17.94","0.0006","8.4256","0.0004","90","","90","","120","","2348.42","0.16","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C114 H108 O18 S6 -","6","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","1.54178","CuKα","","0.0475","0.0377","","","0.0851","0.0894","","","","","","1.057","","","","has coordinates","226451","2020-10-21","18:00:00",""
"4034942","11.2915","0.0005","7.6426","0.0002","37.0847","0.0016","90","","90","","90","","3200.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.2057","0.1116","","","0.1908","0.2266","","","","","","1.114","","","","has coordinates","226452","2020-10-21","18:00:00",""
"4034943","8.1274","0.0003","17.4435","0.0007","8.9072","0.0004","90","","103.903","0.001","90","","1225.78","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.0547","0.0408","","","0.1018","0.1094","","","","","","1.051","","","","has coordinates","226453","2020-10-21","18:00:00",""
"4034944","8.6858","0.0001","25.2666","0.0004","8.42","0.0001","90","","93.074","0.001","90","","1845.2","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.0542","0.0433","","","0.1183","0.1367","","","","","","1.118","","","","has coordinates","226454","2020-10-21","18:00:00",""
"4034945","8.299","0.003","10.924","0.004","14.783","0.005","90","","98.016","0.008","90","","1327.1","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Ni, Jiabin; Xue, Yu; Sun, Liping; Zhang, Ao","Cu-Mediated Sulfonyl Radical-Enabled 5- exo-trig Cyclization of Alkenyl Aldehydes: Access to Sulfonylmethyl 1 H-Indenes.","The Journal of organic chemistry","2018","83","8","4598","4605","10.1021/acs.joc.8b00341","","","0.71073","MoKα","","0.0562","0.0466","","","0.1361","0.1457","","","","","","1.071","","","","has coordinates","226455","2020-10-21","18:00:00",""
"4034946","10.023","0.0003","10.6673","0.0003","19.6393","0.0006","92.89","0.002","93.94","0.002","110.439","0.003","1956.73","0.11","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C80 H104 N8 O12 S4 -","4","2","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","0.71073","MoKα","","0.071","0.051","","","0.1177","0.1255","","","","","","1.031","","","","has coordinates","226456","2020-10-21","18:00:00",""
"4034947","9.4315","0.0002","9.5202","0.0002","21.4109","0.0006","90","","98.443","0.003","90","","1901.64","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C80 H104 N8 O12 S4 -","4","2","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","1.54184","CuKα","","0.0902","0.063","","","0.1621","0.1888","","","","","","1.138","","","","has coordinates","226457","2020-10-21","18:00:00",""
"4034948","9.7341","0.0003","10.0802","0.0005","10.7645","0.0004","108.03","0.004","96.352","0.003","102.318","0.003","963.34","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C40 H52 N4 O6 S2 -","2","1","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","0.71073","MoKα","","0.04","0.0334","","","0.0854","0.0886","","","","","","1.029","","","","has coordinates","226458","2020-10-21","18:00:00",""
"4034949","32.259","0.006","7.365","0.002","6.107","0.002","90","","90","","90","","1450.9","0.7","170","","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Taimoory, S. Maryamdokht; Sadraei, S. Iraj; Fayoumi, Rose Anne; Nasri, Sarah; Revington, Matthew; Trant, John F.","Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers.","The Journal of organic chemistry","2018","83","8","4427","4440","10.1021/acs.joc.8b00135","","","0.71076","MoKα","","0.03","0.0292","","","0.075","0.0755","","","","","","1.073","","","","has coordinates","226459","2020-10-21","18:00:00",""
"4034950","17.002","0.004","6.3616","0.0011","13.302","0.003","90","","93.621","0.007","90","","1435.9","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Taimoory, S. Maryamdokht; Sadraei, S. Iraj; Fayoumi, Rose Anne; Nasri, Sarah; Revington, Matthew; Trant, John F.","Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers.","The Journal of organic chemistry","2018","83","8","4427","4440","10.1021/acs.joc.8b00135","","","0.71073","MoKα","","0.0667","0.0484","","","0.1082","0.119","","","","","","1.117","","","","has coordinates","226460","2020-10-21","18:00:00",""
"4034951","9.377","0.002","16.459","0.004","10.573","0.003","90","","105.379","0.006","90","","1573.4","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-benzyl-4-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1H-1,2,3-triazole","","- C19 H17 N5 -","- C19 H17 N5 -","- C76 H68 N20 -","4","1","","Niesobski, Patrik; Klukas, Fabian; Berens, Henning; Makhloufi, Gamall; Janiak, Christoph; Müller, Thomas J J","De Novo Ring-Forming Consecutive Four-Component Syntheses of 4-Pyrazolyl-1,2,3-triazoles from (Triisopropylsilyl)butadiyne as a C4 Building Block.","The Journal of organic chemistry","2018","83","8","4851","4858","10.1021/acs.joc.8b00430","","","0.71073","MoKα","","0.0756","0.0453","","","0.1045","0.1204","","","","","","1.025","","","","has coordinates","226461","2020-10-21","18:00:00",""
"4034952","4.8158","0.0001","8.056","0.0002","14.36","0.0004","100.15","0.001","90.87","0.001","97.297","0.001","543.55","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F N2 O -","- C15 H9 F N2 O -","- C30 H18 F2 N4 O2 -","2","1","","Yuan, Yao; Dong, Wuheng; Gao, Xiaoshuang; Gao, Huang; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Radical Cascade Cyclization: Synthesis of the ABCD Ring Cores of Camptothecins.","The Journal of organic chemistry","2018","83","5","2840","2846","10.1021/acs.joc.7b03283","","","1.54178","CuKα","","0.034","0.0318","","","0.0925","0.0946","","","","","","1.077","","","","has coordinates","226462","2020-10-21","18:00:00",""
"4034953","8.3599","0.0004","9.3828","0.0004","12.7708","0.0006","78.609","0.002","87.494","0.002","76.577","0.002","955.17","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl3 N2 O3 -","- C19 H19 Cl3 N2 O3 -","- C38 H38 Cl6 N4 O6 -","2","1","","Yuan, Yao; Dong, Wuheng; Gao, Xiaoshuang; Gao, Huang; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Radical Cascade Cyclization: Synthesis of the ABCD Ring Cores of Camptothecins.","The Journal of organic chemistry","2018","83","5","2840","2846","10.1021/acs.joc.7b03283","","","1.54178","CuKα","","0.0413","0.0391","","","0.1035","0.1054","","","","","","1.035","","","","has coordinates","226463","2020-10-21","18:00:00",""
"4034954","8.351","0.002","10.255","0.003","18.062","0.006","90","","98.302","0.003","90","","1530.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C72 H56 Br4 N4 O12 -","4","1","","Song, Zhi-Yong; Chen, Kun-Quan; Chen, Xiang-Yu; Ye, Song","Diastereo- and Enantioselective Synthesis of Spirooxindoles with Contiguous Tetrasubstituted Stereocenters via Catalytic Coupling of Two Tertiary Radicals.","The Journal of organic chemistry","2018","83","5","2966","2970","10.1021/acs.joc.7b03161","","","0.71073","MoKα","","0.0542","0.0464","","","0.0818","0.0848","","","","","","1.135","","","","has coordinates","226464","2020-10-21","18:00:00",""
"4034955","9.305","0.0003","13.974","0.0003","12.0297","0.0004","90","","108.745","0.004","90","","1481.23","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F S -","- C19 H17 F S -","- C76 H68 F4 S4 -","4","1","","Lyapunova, Anna G.; Danilkina, Natalia A.; Rumyantsev, Andrey M.; Khlebnikov, A. F.; Chislov, Mikhail V.; Starova, Galina L.; Sambuk, Elena V.; Govdi, Anastasia I.; Bräse, Stefan; Balova, Irina A.","Relative Reactivity of Benzothiophene-Fused Enediynes in the Bergman Cyclization.","The Journal of organic chemistry","2018","83","5","2788","2801","10.1021/acs.joc.7b03258","","x-ray","1.54184","CuKα","","0.0425","0.0372","","","0.0964","0.1014","","","","","","1.055","","","","has coordinates","226465","2020-10-21","18:00:00",""
"4034956","14.7863","0.0003","7.78776","0.00018","23.6336","0.0004","90","","90.3536","0.0018","90","","2721.41","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 Co2 O9 S -","- C29 H18 Co2 O9 S -","- C116 H72 Co8 O36 S4 -","4","1","","Lyapunova, Anna G.; Danilkina, Natalia A.; Rumyantsev, Andrey M.; Khlebnikov, A. F.; Chislov, Mikhail V.; Starova, Galina L.; Sambuk, Elena V.; Govdi, Anastasia I.; Bräse, Stefan; Balova, Irina A.","Relative Reactivity of Benzothiophene-Fused Enediynes in the Bergman Cyclization.","The Journal of organic chemistry","2018","83","5","2788","2801","10.1021/acs.joc.7b03258","","x-ray","1.54184","CuKα","","0.0734","0.0544","","","0.0914","0.1014","","","","","","1.108","","","","has coordinates","226465","2020-10-21","18:00:00",""
"4034957","14.1119","0.0017","9.9385","0.0011","17.9114","0.0019","90","","110.798","0.003","90","","2348.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 F3 N O4 S -","- C25 H22 F3 N O4 S -","- C100 H88 F12 N4 O16 S4 -","4","1","","Wang, Quande; Tsui, Gavin Chit","Copper-Mediated Domino Cyclization/Trifluoromethylation of Propargylic N-Hydroxylamines: Synthesis of 4-Trifluoromethyl-4-isoxazolines.","The Journal of organic chemistry","2018","83","5","2971","2979","10.1021/acs.joc.7b03191","","","0.71073","MoKα","","0.0551","0.0478","","","0.1359","0.1432","","","","","","1.079","","","","has coordinates","226466","2020-10-21","18:00:00",""
"4034958","13.3366","0.0012","14.4419","0.0013","11.0444","0.001","90","","104.124","0.003","90","","2062.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F3 N O3 S -","- C23 H20 F3 N O3 S -","- C92 H80 F12 N4 O12 S4 -","4","1","","Wang, Quande; Tsui, Gavin Chit","Copper-Mediated Domino Cyclization/Trifluoromethylation of Propargylic N-Hydroxylamines: Synthesis of 4-Trifluoromethyl-4-isoxazolines.","The Journal of organic chemistry","2018","83","5","2971","2979","10.1021/acs.joc.7b03191","","","0.71073","MoKα","","0.0438","0.0401","","","0.1066","0.1104","","","","","","1.043","","","","has coordinates","226467","2020-10-21","18:00:00",""
"4034959","11.3996","0.0013","7.4707","0.0008","31.868","0.004","90","","90.613","0.003","90","","2713.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","2","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ<sup>20</sup>-Ginsenosides Rh<sub>4</sub>, (20E)-Rh<sub>3</sub>, Rg<sub>6</sub>, and Rk<sub>1</sub>: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.112","0.0769","","","0.1498","0.1678","","","","","","1.083","","","","has coordinates,has disorder","226468","2020-10-21","18:00:00",""
"4034960","14.271","0.006","7.176","0.003","17.155","0.007","90","","103.984","0.01","90","","1704.8","1.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H56 O6 -","- C36 H56 O6 -","- C72 H112 O12 -","2","1","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ<sup>20</sup>-Ginsenosides Rh<sub>4</sub>, (20E)-Rh<sub>3</sub>, Rg<sub>6</sub>, and Rk<sub>1</sub>: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.1299","0.0701","","","0.1675","0.198","","","","","","1.002","","","","has coordinates","226469","2020-10-21","18:00:00",""
"4034961","9.5027","0.0007","10.5139","0.0007","11.4874","0.0008","74.736","0.006","66.148","0.006","81.699","0.006","1011.72","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","1","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.0482","0.048","","","0.1357","0.1359","","","","","","1.079","","","","has coordinates","226470","2020-10-21","18:00:00",""
"4034962","9.6558","0.0019","20.213","0.004","14.022","0.003","90","","97.03","0.03","90","","2716.1","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H82 N12 O7 S -","- C41 H82 N12 O7 S -","- C82 H164 N24 O14 S2 -","2","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.1003","0.0773","","","0.1939","0.2352","","","","","","1.07","","","","has coordinates","226471","2020-10-21","18:00:00",""
"4034963","9.4793","0.0002","12.6384","0.0003","13.2202","0.0004","98.616","0.002","92.833","0.002","107.212","0.001","1488.43","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 O3 -","- C34 H31 N3 O3 -","- C68 H62 N6 O6 -","2","1","","Xia, Peng-Ju; Li, Jun; Qian, Yu-Lun; Zhao, Qing-Lan; Xiang, Hao-Yue; Xiao, Jun-An; Chen, Xiao-Qing; Yang, Hua","Solvent-Minimized, Chromatography-Free, Diastereoselective Synthesis of Oxazolidine-Dispirooxindoles via oxa-1,3-Dipolar Cycloaddition of 3-Oxindole.","The Journal of organic chemistry","2018","83","5","2948","2953","10.1021/acs.joc.7b02865","","","0.71073","MoKα","","0.0984","0.0813","","","0.2586","0.2718","","","","","","1.063","","","","has coordinates","226472","2020-10-21","18:00:00",""
"4034964","12.9684","0.0005","11.4288","0.0003","19.9239","0.0007","90","","107.76","0.004","90","","2812.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C112 H104 N8 O24 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1029","0.0896","","","0.2638","0.2814","","","","","","1.05","","","","has coordinates","226473","2020-10-21","18:00:00",""
"4034965","9.1196","0.0007","10.5626","0.0007","25.628","0.004","87.5","0.009","89.642","0.009","81.926","0.006","2441.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N4 O12 S2 -","- C56 H48 N4 O12 S2 -","- C112 H96 N8 O24 S4 -","2","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.074","0.0557","","","0.1403","0.1534","","","","","","1.083","","","","has coordinates","226474","2020-10-21","18:00:00",""
"4034966","10.0845","0.0004","12.6277","0.0005","18.9223","0.0006","90","","104.925","0.004","90","","2328.35","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C100 H88 N8 O24 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1324","0.0679","","","0.1518","0.1899","","","","","","1.03","","","","has coordinates","226475","2020-10-21","18:00:00",""
"4034967","12.3588","0.0005","10.2111","0.0004","21.733","0.0009","90","","90.322","0.003","90","","2742.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O7 S -","- C29 H26 N2 O7 S -","- C116 H104 N8 O28 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1028","0.0583","","","0.1336","0.1605","","","","","","1.029","","","","has coordinates","226476","2020-10-21","18:00:00",""
"4034968","10.1854","0.0001","7.0105","0.0001","31.6018","0.0003","90","","90","","90","","2256.52","0.04","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-chloro-5-methoxy-1-methyl-4-phenyl-1,5-dihydro-2H-pyrrol-2-one","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0698","0.0395","","","0.0964","0.1095","","","","","","1.036","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034969","10.2094","0.0002","14.5436","0.0002","7.83158","0.00019","90","","109.471","0.002","90","","1096.34","0.04","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-chloro-5-methoxy-1-methyl-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one","","- C10 H10 Cl N O2 S -","- C10 H10 Cl N O2 S -","- C40 H40 Cl4 N4 O8 S4 -","4","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0372","0.0319","","","0.0788","0.0834","","","","","","1.042","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034970","10.0685","0.0001","20.8846","0.0001","12.218","0.0001","90","","103.307","0.001","90","","2500.18","0.04","294.15","","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C112 H136 O16 -","4","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0353","0.0349","","","0.1055","0.106","","","","","","1.075","","","","has coordinates","226478","2020-10-21","18:00:00",""
"4034971","11.1371","0.0001","17.0065","0.0002","30.3267","0.0003","90","","90","","90","","5743.97","0.1","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C264 H288 O32 -","8","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0342","0.0332","","","0.0962","0.0971","","","","","","1.049","","","","has coordinates","226479","2020-10-21","18:00:00",""
"4034972","10.5343","0.0001","11.3666","0.0001","23.7867","0.0002","90","","90","","90","","2848.2","0.04","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C132 H144 O16 -","4","1","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.038","0.0369","","","0.1041","0.1055","","","","","","1.027","","","","has coordinates","226480","2020-10-21","18:00:00",""
"4034973","8.006","0.0002","16.9875","0.0005","22.5448","0.0007","90","","90","","90","","3066.14","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0342","0.0338","","","0.0906","0.091","","","","","","1.05","","","","has coordinates","226481","2020-10-21","18:00:00",""
"4034974","12.4728","0.0004","13.9162","0.0004","17.2735","0.0005","90","","90","","90","","2998.23","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0286","0.0285","","","0.0723","0.0723","","","","","","1.045","","","","has coordinates","226482","2020-10-21","18:00:00",""
"4034975","22.0462","0.001","22.0462","0.001","12.8478","0.0012","90","","90","","90","","6244.5","0.7","301","2","301","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H14 F3 N3 O3 -","- C13 H14 F3 N3 O3 -","- C208 H224 F48 N48 O48 -","16","1","","Zhao, Yilong; Zhou, Yuhan; Zhang, Chunxia; Li, Dong; Sun, Puhua; Li, Jianzhe; Wang, Huan; Liu, Jianhui; Qu, Jingping","Base-Controlled Regiodivergent Azidation of Trifluoromethyl Alkenyl Triflates: Transition-Metal-Free Access to CF<sub>3</sub>-Containing Allyl Azides and Alkenyl Azides.","The Journal of organic chemistry","2018","83","5","2858","2868","10.1021/acs.joc.7b03294","","","0.71073","MoKα","","0.1071","0.0714","","","0.1619","0.1775","","","","","","1.07","","","","has coordinates","226483","2020-10-21","18:00:00",""
"4034976","8.1147","0.0009","5.5748","0.0006","32.002","0.004","90","","97.317","0.007","90","","1435.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N3 -","- C16 H12 F3 N3 -","- C64 H48 F12 N12 -","4","1","","Zhao, Yilong; Zhou, Yuhan; Zhang, Chunxia; Li, Dong; Sun, Puhua; Li, Jianzhe; Wang, Huan; Liu, Jianhui; Qu, Jingping","Base-Controlled Regiodivergent Azidation of Trifluoromethyl Alkenyl Triflates: Transition-Metal-Free Access to CF<sub>3</sub>-Containing Allyl Azides and Alkenyl Azides.","The Journal of organic chemistry","2018","83","5","2858","2868","10.1021/acs.joc.7b03294","","","0.71073","MoKα","","0.066","0.0487","","","0.126","0.1388","","","","","","1.014","","","","has coordinates","226483","2020-10-21","18:00:00",""
"4034977","23.4903","0.001","6.4729","0.0003","14.3144","0.0007","90","","103.237","0.003","90","","2118.68","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2S,3R)-4-(benzoyloxy)-2-cyano- 2-ethyl-3-methylpent-4-en-1-yl 4-nitrobenzoate","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Pitta, Bhaskar R.; Steward, Omar W.; Fleming, Fraser F.","Electrophile-Dependent Alkylations of Lithiated 4-Alkoxyalk-4-enenitriles.","The Journal of organic chemistry","2018","83","5","2753","2762","10.1021/acs.joc.7b03205","","","0.71073","MoKα","","0.0453","0.0323","","","0.1052","0.1322","","","","","","1.432","","","","has coordinates","226484","2020-10-21","18:00:00",""
"4034978","11.4274","0.0009","21.057","0.0014","20.4912","0.0015","90","","101.302","0.004","90","","4835.1","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Cs N9 O4 -","- C52 H58 Cs N9 O4 -","- C208 H232 Cs4 N36 O16 -","4","1","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.0609","0.046","","","0.1165","0.1257","","","","","","1.141","","","","has coordinates","226485","2020-10-21","18:00:00",""
"4034979","17.237","0.004","12.996","0.002","16.538","0.003","90","","90","","90","","3704.7","1.2","233","2","233","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C38 H45 Cs N8 O4 -","- C38 H45 Cs N8 O4 -","- C152 H180 Cs4 N32 O16 -","4","0.5","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.0185","0.018","","","0.0477","0.048","","","","","","0.996","","","","has coordinates,has disorder","226486","2020-10-21","18:00:00",""
"4034980","11.082","0.004","11.456","0.004","11.777","0.004","92.038","0.019","110.429","0.019","118.082","0.016","1199.5","0.8","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","spiro[fluorene-9,15'-indeno[2,1-g]chrysene]","","- C37 H22 -","- C37 H22 -","- C74 H44 -","2","1","","Lee, Hayoon; Jung, Hyocheol; Kang, Seokwoo; Heo, Jin Hyuck; Im, Sang Hyuk; Park, Jongwook","Three-Dimensional Structures Based on the Fusion of Chrysene and Spirobifluorene Chromophores for the Development of Blue OLEDs.","The Journal of organic chemistry","2018","83","5","2640","2646","10.1021/acs.joc.7b03008","","","0.71073","MoKα","","0.0662","0.0514","","","0.13","0.1432","","","","","","1.055","","","","has coordinates","226487","2020-10-21","18:00:00",""
"4034981","7.489","0.004","11.278","0.005","19.529","0.009","80.568","0.007","88.97","0.007","79.02","0.007","1597.2","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N3 O -","- C20 H14 Cl N3 O -","- C80 H56 Cl4 N12 O4 -","4","2","","Kong, Xiang-Fei; Zhan, Feng; He, Guo-Xue; Pan, Cheng-Xue; Gu, Chen-Xi; Lu, Ke; Mo, Dong-Liang; Su, Gui-Fa","Gold-Catalyzed Selective 6-exo-dig and 7-endo-dig Cyclizations of Alkyn-Tethered Indoles To Prepare Rutaecarpine Derivatives.","The Journal of organic chemistry","2018","83","4","2006","2017","10.1021/acs.joc.7b02956","","","0.71073","MoKα","","0.0465","0.0366","","","0.1044","0.1126","","","","","","1.038","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034982","7.4255","0.0014","9.3666","0.0017","22.949","0.004","90","","94.428","0.003","90","","1591.4","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","","Kong, Xiang-Fei; Zhan, Feng; He, Guo-Xue; Pan, Cheng-Xue; Gu, Chen-Xi; Lu, Ke; Mo, Dong-Liang; Su, Gui-Fa","Gold-Catalyzed Selective 6-exo-dig and 7-endo-dig Cyclizations of Alkyn-Tethered Indoles To Prepare Rutaecarpine Derivatives.","The Journal of organic chemistry","2018","83","4","2006","2017","10.1021/acs.joc.7b02956","","","0.71073","MoKα","","0.0514","0.0453","","","0.1217","0.1284","","","","","","1.045","","","","has coordinates","226489","2020-10-21","18:00:00",""
"4034983","5.6914","0.0009","7.7326","0.0012","33.904","0.005","90","","90","","90","","1492.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Lei, Xue; Zheng, Lei; Zhang, Chuanxin; Shi, Xiaodong; Chen, Yunfeng","Allylic C-S Bond Construction through Metal-Free Direct Nitroalkene Sulfonation.","The Journal of organic chemistry","2018","83","4","1772","1778","10.1021/acs.joc.7b02595","","","0.71073","MoKα","","0.0381","0.0373","","","0.0986","0.0993","","","","","","1.135","","","","has coordinates","226490","2020-10-21","18:00:00",""
"4034984","8.2267","0.0015","12.296","0.002","13.654","0.003","90","","105.69","0.003","90","","1329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","1","","Lei, Xue; Zheng, Lei; Zhang, Chuanxin; Shi, Xiaodong; Chen, Yunfeng","Allylic C-S Bond Construction through Metal-Free Direct Nitroalkene Sulfonation.","The Journal of organic chemistry","2018","83","4","1772","1778","10.1021/acs.joc.7b02595","","","0.71073","MoKα","","0.0768","0.0456","","","0.106","0.1195","","","","","","1.165","","","","has coordinates","226491","2020-10-21","18:00:00",""
"4034985","7.4487","0.0002","9.8574","0.0003","11.7142","0.0004","94.801","0.003","95.419","0.003","108.835","0.003","804.44","0.05","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl2 Cu N2 O S -","- C14 H14 Cl2 Cu N2 O S -","- C28 H28 Cl4 Cu2 N4 O2 S2 -","2","1","","Jiang, Sheng-Peng; Lu, Wen-Qiang; Liu, Zhan; Wang, Guan-Wu","Synthesis of Fullerotetrahydroquinolines via [4 + 2] Cycloaddition Reaction of [60]Fullerene with in Situ Generated Aza-o-quinone Methides.","The Journal of organic chemistry","2018","83","4","1959","1968","10.1021/acs.joc.7b02897","","","1.54184","CuKα","","0.0426","0.0418","","","0.1153","0.1165","","","","","","1.068","","","","has coordinates","226492","2020-10-21","18:00:00",""
"4034986","9.6198","0.0007","11.0172","0.0008","14.7869","0.0014","91.878","0.003","98.532","0.004","108.847","0.003","1461.3","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 N O Te -","- C18 H13 N O Te -","- C72 H52 N4 O4 Te4 -","4","2","","Nagahora, Noriyoshi; Yahata, Shuhei; Goto, Shoko; Shioji, Kosei; Okuma, Kentaro","2,5-Diaryltellurophenes: Effect of Electron-Donating and Electron-Withdrawing Groups on their Optoelectronic Properties.","The Journal of organic chemistry","2018","83","4","1969","1975","10.1021/acs.joc.7b02906","","","0.71075","MoKα","","0.0918","0.0782","","","0.1483","0.1553","","","","","","1.258","","","","has coordinates","226493","2020-10-21","18:00:00",""
"4034987","7.2443","0.0004","21.6508","0.0013","31.7616","0.0019","90","","90","","90","","4981.6","0.5","296","","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","DiMeMonoPhIndenotetracene","2-methyl-10-phenyl-9-(p-tolyl)indeno[1,2,3-fg]tetracene","","- C38 H26 -","- C37.791 H27.261 -","- C302.328 H218.088 -","8","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","0.71073","MoKα","","0.0919","0.0516","","","0.1385","0.1734","","","","","","1.055","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034988","15.943","","20.012","","7.763","","90","","111.7","","90","","2301.27","","122","2","122","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DiFMonoPhIndenotetracene","2-fluoro-9-(4-fluorophenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C36 H20 F2 -","- C36 H20 F2 -","- C144 H80 F8 -","4","0.5","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.042","0.0395","","","0.108","0.111","","","","","","1.06","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034989","12.007","0.006","16.605","0.005","27.729","0.007","90","","92.29","0.03","90","","5524","4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DiCF3MonoPhIndenoTetracene","10-phenyl-2-(trifluoromethyl)-9-(4-(trifluoromethyl)phenyl)indeno[1,2,3-fg]tetracene","","- C38 H20 F6 -","- C38 H20 F6 -","- C304 H160 F48 -","8","2","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.1208","0.0704","","","0.148","0.1752","","","","","","1.015","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034990","11.152","0.002","19.822","0.003","11.343","0.002","90","","93.755","0.014","90","","2502","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DiMethoxyMonoPhIndenotetracene","2-methoxy-9-(4-methoxyphenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.1519","0.087","","","0.2168","0.2609","","","","","","1.07","","","","has coordinates","226494","2020-10-21","18:00:00",""
"4034991","15.9","0.03","19.904","0.014","7.73","0.013","90","","112.49","0.1","90","","2260","6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DiPhMonoFPhIndenotetracene","9-(4-fluorophenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C36 H21 F -","- C36 H20.54 F -","- C144 H82.16 F4 -","4","0.5","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.0594","0.0479","","","0.1213","0.1301","","","","","","1.037","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034992","26.263","0.005","24.983","0.005","16.363","0.003","90","","127.9","0.03","90","","8472","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 N8 O5 -","- C42 H48 Cl2 N8 O5 -","- C336 H384 Cl16 N64 O40 -","8","1","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Namashivaya, Siva R.; Fedorova, Olga A.; Dorovatovskii, Pavel V.; Khrustalev, Viktor N.; Kataev, Evgeny A.","Hybrid Macrocycles for Selective Binding and Sensing of Fluoride in Aqueous Solution.","The Journal of organic chemistry","2018","83","4","2145","2153","10.1021/acs.joc.7b03077","","","0.9699","synchrotron","","0.1311","0.0976","","","0.1802","0.2012","","","","","","1.049","","","","has coordinates,has disorder","226495","2020-10-21","18:00:00",""
"4034993","10.6419","0.0005","9.2073","0.0004","22.7567","0.0012","90","","90","","90","","2229.77","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0562","0.0404","","","0.0931","0.1008","","","","","","1.034","","","","has coordinates","226496","2020-10-21","18:00:00",""
"4034994","7.84","0.005","9.312","0.005","11.055","0.005","88.607","0.005","71.857","0.005","75.099","0.005","739.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0617","0.0448","","","0.0983","0.1055","","","","","","1.075","","","","has coordinates","226497","2020-10-21","18:00:00",""
"4034995","8.777","0.005","9.9","0.005","17.369","0.005","90","0.005","90.258","0.005","90","0.005","1509.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0996","0.0536","","","0.1066","0.1242","","","","","","1.006","","","","has coordinates","226498","2020-10-21","18:00:00",""
"4034996","7.676","0.005","7.865","0.005","9.394","0.005","104.851","0.005","96.825","0.005","94.814","0.005","540.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.089","0.0512","","","0.1127","0.1284","","","","","","1.024","","","","has coordinates","226499","2020-10-21","18:00:00",""
"4034997","31.448","0.011","5.764","0.002","17.428","0.006","90","","95.748","0.008","90","","3143.2","1.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C152 H176 O16 -","8","1","","Frota, Carlise; Polo, Ellen Christine; Esteves, Henrique; Correia, Carlos Roque Duarte","Regioselective and Stereoselective Heck-Matsuda Arylations of Trisubstituted Allylic Alkenols and Their Silyl and Methyl Ether Derivatives To Access Two Contiguous Stereogenic Centers: Expanding the Redox-Relay Process and Application in the Total Synthesis of meso-Hexestrol.","The Journal of organic chemistry","2018","83","4","2198","2209","10.1021/acs.joc.7b03098","","","0.71073","MoKα","","0.0862","0.071","","","0.1781","0.189","","","","","","1.038","","","","has coordinates","226500","2020-10-21","18:00:00",""
"4034998","10.0873","0.0008","13.9444","0.0013","12.7124","0.0019","90","","106.462","0.011","90","","1714.8","0.3","103.3","","103.3","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C65.5 H9 N S3 -","- C65.5 H9 N S3 -","- C131 H18 N2 S6 -","2","0.5","","Wu, Sheng-Li; Gao, Xiang","Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.","The Journal of organic chemistry","2018","83","4","2125","2130","10.1021/acs.joc.7b03061","","","0.7107","MoKα","","0.0915","0.0601","","","0.1253","0.1407","","","","","","1.043","","","","has coordinates,has disorder","226501","2020-10-21","18:00:00",""
"4034999","9.7654","0.0004","9.669","0.0004","12.0922","0.0009","90","","94.477","0.004","90","","1138.28","0.11","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N O3 S2 -","- C9 H13 N O3 S2 -","- C36 H52 N4 O12 S8 -","4","1","","Wu, Sheng-Li; Gao, Xiang","Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.","The Journal of organic chemistry","2018","83","4","2125","2130","10.1021/acs.joc.7b03061","","","0.7107","MoKα","","0.0311","0.0274","","","0.0637","0.0662","","","","","","1.032","","","","has coordinates","226502","2020-10-21","18:00:00",""
"4035000","19.224","0.01","10.624","0.006","14.616","0.008","90","","136.066","0.004","90","","2071","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Cl N2 O2 -","- C10 H9 Cl N2 O2 -","- C80 H72 Cl8 N16 O16 -","8","1","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.091","0.0471","","","0.1142","0.135","","","","","","1.032","","","","has coordinates","226504","2020-10-21","18:00:00",""
"4035001","13.755","0.004","5.1325","0.0015","25.638","0.008","90","","90","","90","","1810","0.9","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C80 H80 N16 O16 -","8","2","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.0857","0.0766","","","0.1939","0.2041","","","","","","1.093","","","","has coordinates","226505","2020-10-21","18:00:00",""
"4035002","10.2333","0.0003","11.2199","0.0003","29.166","0.0008","90","","99.33","0.002","90","","3304.44","0.16","150.11","0.1","150.11","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H15 N O3 S -","- C20 H15 N O3 S -","- C160 H120 N8 O24 S8 -","8","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0526","0.0436","","","0.1233","0.1297","","","","","","1.049","","","","has coordinates,has disorder","226506","2020-10-21","18:00:00",""
"4035003","4.7727","0.0002","14.1337","0.0005","17.4306","0.0006","90","","94.745","0.002","90","","1171.77","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.0321","","","0.0768","0.0807","","","","","","1.056","","","","has coordinates","226507","2020-10-21","18:00:00",""
"4035004","19.3968","0.0009","6.3516","0.0003","10.0741","0.0005","90","","91.1632","0.0019","90","","1240.88","0.1","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.0385","0.0317","","","0.0837","0.0883","","","","","","1.058","","","","has coordinates","226508","2020-10-21","18:00:00",""
"4035005","9.3136","0.0004","10.8927","0.0005","11.7419","0.0005","110.954","0.0012","109.926","0.0013","97.6942","0.0013","1000.48","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 Br2 -","- C28 H16 Br2 -","- C56 H32 Br4 -","2","1","","Thakellapalli, Haresh; Farajidizaji, Behzad; Li, Shuangjiang; Heller, Josef C.; Zhang, Yu; Akhmedov, Novruz G.; Milsmann, Carsten; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of a Cyclophane Bearing Two Benz[a]anthracene Units Connected at the 5 and 7 Positions with Two Naphth-1,4-diyl Groups.","The Journal of organic chemistry","2018","83","4","2455","2459","10.1021/acs.joc.7b03081","","","0.71073","MoKα","","0.06","0.0394","","","0.0957","0.1078","","","","","","1.032","","","","has coordinates","226509","2020-10-21","18:00:00",""
"4035006","11.8101","0.0012","22.902","0.002","8.8367","0.0009","90","","90","","90","","2390.1","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 O6 S -","- C24 H30 O6 S -","- C96 H120 O24 S4 -","4","0.5","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0423","0.0361","","","0.0905","0.0956","","","","","","1.048","","","","has coordinates","226510","2020-10-21","18:00:00",""
"4035007","9.674","0.0008","9.764","0.0009","18.3344","0.0016","75.149","0.001","80.115","0.001","77.802","0.001","1623.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 N2 O6 S -","- C33 H42 N2 O6 S -","- C66 H84 N4 O12 S2 -","2","1","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.051","0.047","","","0.1238","0.128","","","","","","1.027","","","","has coordinates,has disorder","226511","2020-10-21","18:00:00",""
"4035008","9.6064","0.0019","18.787","0.004","19.001","0.004","73.209","0.003","88.784","0.003","88.223","0.003","3281.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H43.5 N1.5 O6 S -","- C34.5 H43.5 N1.5 O6 S -","- C138 H174 N6 O24 S4 -","4","2","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0834","0.0703","","","0.1876","0.1987","","","","","","1.014","","","","has coordinates,has disorder","226512","2020-10-21","18:00:00",""
"4035009","14.1381","0.0001","15.8779","0.0001","20.5634","0.0002","90","","90","","90","","4616.14","0.06","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H52 Co2 O4 P2 Si2 -","- C47 H52 Co2 O4 P2 Si2 -","- C188 H208 Co8 O16 P8 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0371","0.0296","","0.0683","0.0641","0.0683","","","","","","1.006","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035010","17.1505","0.0002","12.7684","0.0002","22.9778","0.0003","90","","106.231","0.0005","90","","4831.23","0.11","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H106 Cl2 Co4 O8 P4 Si4 -","- C95 H106 Cl2 Co4 O8 P4 Si4 -","- C190 H212 Cl4 Co8 O16 P8 Si8 -","2","0.5","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0511","0.0348","","0.0842","0.0748","0.0842","","","","","","1.0006","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035011","11.5356","0.0002","12.1471","0.0002","19.7928","0.0003","76.0952","0.0006","81.415","0.0007","64.0407","0.0006","2417.46","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H52 Co2 O4 P2 Si2 -","- C49 H52 Co2 O4 P2 Si2 -","- C98 H104 Co4 O8 P4 Si4 -","2","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0577","0.0382","","0.0838","0.0755","0.0838","","","","","","0.9947","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035012","12.9206","0.0002","13.1057","0.0002","17.0055","0.0003","104.464","0.0007","100.388","0.0008","111.906","0.0009","2464.22","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 Co2 O4 P2 Si2 -","- C51 H52 Co2 O4 P2 Si2 -","- C102 H104 Co4 O8 P4 Si4 -","2","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0454","0.0357","","0.0926","0.0837","0.0924","","","","","","1.0175","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035013","11.5368","0.0011","12.2121","0.001","17.3928","0.0018","82.618","0.007","84.683","0.008","81.577","0.007","2397.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H86 Co4 O8 P4 Si2 -","- C88 H86 Co4 O8 P4 Si2 -","- C88 H86 Co4 O8 P4 Si2 -","1","0.5","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.6889","Synchrotron","","0.0881","0.0542","","0.1335","0.1031","0.1335","","","","","","1.0096","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035014","14.4102","0.0005","16.2137","0.0007","37.474","0.002","90","","98.528","0.005","90","","8658.7","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H87 Co4 O8 P4 Si2 -","- C88 H87 Co4 O8 P4 Si2 -","- C352 H348 Co16 O32 P16 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.6889","Synchrotron","","0.0976","0.0564","","0.1529","0.1192","0.1529","","","","","","1.0007","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035015","11.7494","0.0001","21.5314","0.0001","20.7742","0.0001","90","","91.9224","0.0003","90","","5252.52","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H64 Co2 O4 P2 Si2 -","- C53 H64 Co2 O4 P2 Si2 -","- C212 H256 Co8 O16 P8 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0402","0.0314","","0.0784","0.0725","0.0784","","","","","","1.0008","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035016","5.8857","0.0001","12.0646","0.0002","13.8223","0.0003","77.515","0.002","82.318","0.002","78.463","0.002","934.73","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Br N -","- C24 H20 Br N -","- C48 H40 Br2 N2 -","2","1","","Andreou, Dimitrios; Kallitsakis, Michael G.; Loukopoulos, Edward; Gabriel, Catherine; Kostakis, George E.; Lykakis, Ioannis N.","Copper-Promoted Regioselective Synthesis of Polysubstituted Pyrroles from Aldehydes, Amines, and Nitroalkenes via 1,2-Phenyl/Alkyl Migration.","The Journal of organic chemistry","2018","83","4","2104","2113","10.1021/acs.joc.7b03051","","x-ray","0.71075","MoKα","K-L~3~","0.0456","0.043","","","0.0929","0.0941","","","","","","1.182","","","","has coordinates","226514","2020-10-21","18:00:00",""
"4035017","12.5987","0.0008","16.8102","0.0013","21.1926","0.0016","90","","103.135","0.004","90","","4370.9","0.6","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H40 Cl2 -","- C65 H40 Cl2 -","- C260 H160 Cl8 -","4","1","","Romain, Maxime; Quinton, Cassandre; Roisnel, Thierry; Jacques, Emmanuel; Rault-Berthelot, Joëlle; Poriel, Cyril","A Dihydrodinaphthoheptacene.","The Journal of organic chemistry","2018","83","4","1891","1897","10.1021/acs.joc.7b02834","","x-ray","0.71073","MoKα","","0.1938","0.071","","","0.1591","0.2204","","","","","","0.95","","","","has coordinates","226515","2020-10-21","18:00:00",""
"4035018","9.129","0.007","10.75","0.009","17.377","0.014","80.64","0.04","84.3","0.02","73.38","0.03","1610","2","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 B Cl3 Fe N6 -","- C39 H22 B Cl3 Fe N6 -","- C78 H44 B2 Cl6 Fe2 N12 -","2","1","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.0606","0.0392","","","0.0829","0.0912","","","","","","1.017","","","","has coordinates","226516","2020-10-21","18:00:00",""
"4035019","10.9853","0.0002","13.3394","0.0002","16.8944","0.0002","90","","93.576","0.001","90","","2470.84","0.07","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Br N O -","- C32 H24 Br N O -","- C128 H96 Br4 N4 O4 -","4","1","","Ding, Ting-Hui; Xiao, Zu-Feng; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of Highly Functionalized Indoles and Indolones via Selectivity-Switchable Olefinations.","The Journal of organic chemistry","2018","83","4","2467","2472","10.1021/acs.joc.7b03158","","","1.54184","CuKα","","0.0549","0.0482","","","0.1314","0.1388","","","","","","1.041","","","","has coordinates","226517","2020-10-21","18:00:00",""
"4035020","7.991","0.003","8.632","0.003","11.023","0.004","109.502","0.016","100.029","0.016","93.386","0.016","700.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Abranches, Paula Aline da Silva; de Paiva, Walysson Ferreira; de Fátima, Ângelo; Martins, Felipe Terra; Fernandes, Sergio Antonio","Calix[n]arene-Catalyzed Three-Component Povarov Reaction: Microwave-Assisted Synthesis of Julolidines and Mechanistic Insights.","The Journal of organic chemistry","2018","83","4","1761","1771","10.1021/acs.joc.7b02532","","","0.71073","MoKα","","0.0323","0.0265","","","0.0681","0.0706","","","","","","1.048","","","","has coordinates","226518","2020-10-21","18:00:00",""
"4035021","7.1638","0.0004","7.3976","0.0004","18.5628","0.001","90","","96.411","0.002","90","","977.58","0.09","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Br N O5 P -","- C18 H19 Br N O5 P -","- C36 H38 Br2 N2 O10 P2 -","2","1","","Hazra, Gurupada; Pratap, Shiv; Ghorai, Prasanta","Organocatalytic, Chemoselective Hydrophosphenylation/oxa-Michael Addition Cascade toward Diastereo- and Enantioenriched 1,3-Dihydroisobenzofuryl Phosphonates.","The Journal of organic chemistry","2018","83","17","9654","9666","10.1021/acs.joc.8b01048","","","0.71073","MoKα","","0.0793","0.0487","","","0.1068","0.1195","","","","","","1.038","","","","has coordinates","226519","2020-10-21","18:00:00",""
"4035022","3.8804","0.0006","15.393","0.003","22.337","0.004","90","","94.074","0.005","90","","1330.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O -","- C19 H11 N O -","- C76 H44 N4 O4 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.0416","0.0327","","","0.0807","0.0891","","","","","","1.093","","","","has coordinates","226520","2020-10-21","18:00:00",""
"4035023","10.2582","0.0005","4.6635","0.0002","28.4043","0.0016","90","","93.906","0.002","90","","1355.68","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.0422","0.0352","","","0.0877","0.0936","","","","","","1.05","","","","has coordinates","226521","2020-10-21","18:00:00",""
"4035024","3.7895","0.0008","21.669","0.005","13.318","0.004","90","","92.452","0.007","90","","1092.6","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F N O -","- C15 H8 F N O -","- C60 H32 F4 N4 O4 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.1086","0.0564","","","0.1302","0.1603","","","","","","1.022","","","","has coordinates","226522","2020-10-21","18:00:00",""
"4035025","13.976","0.007","8.894","0.004","16.293","0.008","90","","104.977","0.009","90","","1956.5","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1605","0.086","","","0.1771","0.2048","","","","","","0.916","","","","has coordinates","226523","2020-10-21","18:00:00",""
"4035026","11.104","0.006","9.016","0.005","16.057","0.008","90","","92.807","0.01","90","","1605.6","1.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1092","0.0739","","","0.1665","0.1893","","","","","","0.996","","","","has coordinates","226524","2020-10-21","18:00:00",""
"4035027","6.0555","0.0005","10.5535","0.0009","19.4333","0.0016","90","","98.716","0.001","90","","1227.58","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 I2 N O -","- C11 H11 I2 N O -","- C44 H44 I8 N4 O4 -","4","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.0392","0.0369","","","0.1106","0.1122","","","","","","1.078","","","","has coordinates","226525","2020-10-21","18:00:00",""
"4035028","8.4152","0.0016","8.0644","0.0015","13.713","0.003","90","","93.685","0.003","90","","928.7","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 I2 N O -","- C6 H9 I2 N O -","- C24 H36 I8 N4 O4 -","4","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.0398","0.0335","","","0.0834","0.0876","","","","","","1.169","","","","has coordinates","226526","2020-10-21","18:00:00",""
"4035029","8.7161","0.001","7.7989","0.0009","10.9853","0.0012","90","","98.149","0.001","90","","739.2","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C32 H36 I2 N2 O6 -","2","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.015","0.0148","","","0.0377","0.0377","","","","","","1.108","","","","has coordinates","226527","2020-10-21","18:00:00",""
"4035030","16.642","0.003","8.5259","0.0007","21.871","0.003","90","","107.058","0.017","90","","2966.7","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O6 S -","- C14 H17 N O6 S -","- C112 H136 N8 O48 S8 -","8","2","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0473","0.0413","","","0.1102","0.1139","","","","","","1.045","","","","has coordinates,has disorder","226528","2020-10-21","18:00:00",""
"4035031","8.7848","0.0008","5.5237","0.0006","12.4287","0.0012","90","","99.342","0.009","90","","595.1","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C22 H34 N2 O6 S2 -","2","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0761","0.0678","","","0.1678","0.179","","","","","","1.052","","","","has coordinates","226529","2020-10-21","18:00:00",""
"4035032","8.0528","0.0003","10.4267","0.0004","20.0816","0.0006","90","","92.974","0.003","90","","1683.86","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","2","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.1049","0.1074","","","","","","1.052","","","","has coordinates,has disorder","226530","2020-10-21","18:00:00",""
"4035033","11.19566","0.00005","11.19566","0.00005","16.25033","0.00011","90","","90","","90","","2036.86","0.019","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C80 H104 N8 O16 S8 -","8","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0218","0.0218","","","0.0603","0.0603","","","","","","1.089","","","","has coordinates,has disorder","226531","2020-10-21","18:00:00",""
"4035034","5.35148","0.00012","13.2226","0.0003","16.0719","0.0003","90","","96.9164","0.0019","90","","1128.98","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl F3 N O -","- C11 H11 Cl F3 N O -","- C44 H44 Cl4 F12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.0776","0.0778","","","","","","1.061","","","","has coordinates","226532","2020-10-21","18:00:00",""
"4035035","10.4462","0.0002","13.3919","0.0002","10.8689","0.0002","90","","115.11","0.003","90","","1376.8","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0392","0.0389","","","0.1069","0.1071","","","","","","1.072","","","","has coordinates,has disorder","226533","2020-10-21","18:00:00",""
"4035036","5.01791","0.00018","9.1748","0.0003","14.1441","0.0006","90","","100.168","0.004","90","","640.94","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C30 H24 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.032","0.0304","","","0.0722","0.0731","","","","","","1.038","","","","has coordinates","226534","2020-10-21","18:00:00",""
"4035037","5.5726","0.0004","16.6112","0.0008","15.731","0.001","90","","96.073","0.006","90","","1448.01","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C60 H48 Cl12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0647","0.0556","","","0.1014","0.1043","","","","","","1.224","","","","has coordinates","226535","2020-10-21","18:00:00",""
"4035038","11.5272","0.0009","6.0424","0.0006","24.9593","0.0015","90","","93.833","0.007","90","","1734.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2.985 N O3 -","- C17 H16 Cl2.985 N O3 -","- C68 H64 Cl11.94 N4 O12 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","1.54184","CuKα","","0.0743","0.0604","","","0.1565","0.1743","","","","","","1.0514","","","","has coordinates,has disorder","226536","2020-10-21","18:00:00",""
"4035039","6.4856","0.0005","10.5126","0.0011","13.3256","0.0013","104.204","0.009","93.568","0.007","97.731","0.007","868.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 F3 N O -","- C19 H20 F3 N O -","- C38 H40 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.1517","0.0976","","","0.2832","0.3317","","","","","","1.046","","","","has coordinates","226537","2020-10-21","18:00:00",""
"4035040","8.3415","0.0002","11.0216","0.0003","11.7741","0.0003","66.39","0.003","76.807","0.002","80.568","0.002","962.49","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Cl3 N O -","- C19 H20 Cl3 N O -","- C38 H40 Cl6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0451","0.0428","","","0.1187","0.1209","","","","","","1.05","","","","has coordinates","226538","2020-10-21","18:00:00",""
"4035041","12.1625","0.0003","5.95218","0.00015","20.3165","0.0005","90","","97.608","0.002","90","","1457.83","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C60 H48 Cl12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0635","0.068","","","","","","1.026","","","","has coordinates","226539","2020-10-21","18:00:00",""
"4035042","11.3298","0.0009","14.7085","0.0008","14.79","0.0012","112.401","0.006","111.794","0.008","90.343","0.005","2084.4","0.3","100","5","100","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F3 N O -","- C23 H28 F3 N O -","- C92 H112 F12 N4 O4 -","4","2","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0753","0.0549","","","0.1381","0.1561","","","","","","1.05","","","","has coordinates","226540","2020-10-21","18:00:00",""
"4035043","7.4873","0.0005","9.526","0.0007","9.734","0.0009","100.892","0.007","108.69","0.007","93.579","0.005","640.14","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C30 H24 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","0.71073","MoKα","","0.0766","0.0487","","","0.0905","0.1092","","","","","","1.067","","","","has coordinates","226541","2020-10-21","18:00:00",""
"4035044","14.2867","0.0005","6.1746","0.0002","21.3414","0.0007","90","","92.632","0.003","90","","1880.64","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br3 Cl2 N O -","- C16 H14 Br3 Cl2 N O -","- C64 H56 Br12 Cl8 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0581","0.0378","","","0.0766","0.0859","","","","","","0.999","","","","has coordinates","226542","2020-10-21","18:00:00",""
"4035045","9.1989","0.0006","11.3605","0.0007","12.1333","0.0006","68.473","0.006","81.496","0.005","73.833","0.006","1131.4","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.01 H28 Cl3 N O -","- C23 H28 Cl3 N O -","- C46 H56 Cl6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0675","0.0502","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","226543","2020-10-21","18:00:00",""
"4035046","5.8087","0.0003","15.6067","0.0008","16.7214","0.0008","90","","90","","90","","1515.87","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br3 N O -","- C15 H12 Br3 N O -","- C60 H48 Br12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.1052","0.1058","","","","","","1.075","","","","has coordinates","226544","2020-10-21","18:00:00",""
"4035047","13.6502","0.0008","5.5638","0.0003","25.477","0.002","90","","93.556","0.006","90","","1931.2","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 N2 O5.5 -","- C21.5 H21 N2 O5.5 -","- C86 H84 N8 O22 -","4","1","","Cristòfol, Àlex; Escudero-Adán, Eduardo C; Kleij, Arjan W.","Palladium-Catalyzed ( Z)-Selective Allylation of Nitroalkanes: Access to Highly Functionalized Homoallylic Scaffolds.","The Journal of organic chemistry","2018","83","17","9978","9990","10.1021/acs.joc.8b01372","","","0.7107","MoKα","","0.0761","0.0418","","","0.0854","0.097","","","","","","0.932","","","","has coordinates,has disorder","226545","2020-10-21","18:00:00",""
"4035048","15.5766","0.0003","14.06756","0.00019","21.4444","0.0004","90","","106.56","0.0019","90","","4504.09","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C204 H180 N12 O36 -","12","3","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0743","0.0561","","","0.1521","0.1767","","","","","","1.037","","","","has coordinates","226546","2020-10-21","18:00:00",""
"4035049","8.4322","0.0003","21.4954","0.0007","9.3861","0.0002","90","","96.136","0.003","90","","1691.52","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.1041","0.0822","","","0.2153","0.2497","","","","","","1.088","","","","has coordinates","226547","2020-10-21","18:00:00",""
"4035050","9.7126","0.0002","20.5098","0.0004","12.2179","0.0004","90","","107.992","0.003","90","","2314.83","0.11","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C120 H88 O16 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0633","0.0428","","","0.1066","0.1207","","","","","","1.031","","","","has coordinates","226548","2020-10-21","18:00:00",""
"4035051","24.4632","0.001","6.3155","0.0002","7.98","0.0003","90","","90","","90","","1232.89","0.08","293","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0665","0.0551","","","0.1491","0.1714","","","","","","1.095","","","","has coordinates","226549","2020-10-21","18:00:00",""
"4035052","15.6648","0.0004","6.225","0.0002","9.6874","0.0002","90","","92.105","0.002","90","","944.01","0.04","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0421","0.0383","","","0.1094","0.114","","","","","","1.024","","","","has coordinates","226550","2020-10-21","18:00:00",""
"4035053","17.1351","0.0019","18.035","0.0011","15.9634","0.0015","90","","104.132","0.011","90","","4783.9","0.8","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O Si -","- C6 H13 N O Si -","- C120 H260 N20 O20 Si20 -","20","5","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","0.71073","MoKα","","0.166","0.0868","","","0.215","0.2797","","","","","","1.044","","","","has coordinates,has disorder","226551","2020-10-21","18:00:00",""
"4035054","13.7589","0.0003","6.3812","0.0001","9.7121","0.0002","90","","104.51","0.002","90","","825.51","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F N O -","- C9 H8 F N O -","- C36 H32 F4 N4 O4 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0411","0.0381","","","0.1092","0.1128","","","","","","1.041","","","","has coordinates","226552","2020-10-21","18:00:00",""
"4035055","18.3993","0.0005","3.8588","0.0001","20.1602","0.0006","90","","110.214","0.003","90","","1343.2","0.07","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F2 N O -","- C17 H11 F2 N O -","- C68 H44 F8 N4 O4 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0544","0.0482","","","0.1307","0.1383","","","","","","1.048","","","","has coordinates,has disorder","226553","2020-10-21","18:00:00",""
"4035056","8.2753","0.0002","12.7887","0.0004","12.9785","0.0004","62.156","0.003","85.674","0.002","71.169","0.002","1144.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S -","- C24 H21 Br N2 O2 S -","- C48 H42 Br2 N4 O4 S2 -","2","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0292","0.0276","","","0.0717","0.0729","","","","","","1.039","","","","has coordinates","226554","2020-10-21","18:00:00",""
"4035057","16.8993","0.0002","13.773","0.0001","17.8139","0.0002","90","","90","","90","","4146.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0453","0.0388","","","0.095","0.0995","","","","","","1.054","","","","has coordinates","226555","2020-10-21","18:00:00",""
"4035058","15.4369","0.0006","8.5736","0.0003","14.8908","0.0005","90","","105.541","0.004","90","","1898.74","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 S -","- C22 H19 N2.977 O4 S -","- C88 H76 N11.908 O16 S4 -","4","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0497","0.0392","","","0.0916","0.098","","","","","","1.026","","","","has coordinates","226556","2020-10-21","18:00:00",""
"4035059","8.0862","0.0003","13.6933","0.0005","13.547","0.0004","90","","96.885","0.003","90","","1489.2","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O4 S -","- C16 H13 N3 O4 S -","- C64 H52 N12 O16 S4 -","4","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0373","0.0362","","","0.0978","0.0988","","","","","","1.055","","","","has coordinates","226557","2020-10-21","18:00:00",""
"4035060","7.9586","0.0002","15.7174","0.0006","30.9471","0.001","90","","90","","90","","3871.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N3 O5 S -","- C22 H18 F N3 O5 S -","- C176 H144 F8 N24 O40 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1035","0.106","","","","","","1.056","","","","has coordinates","226558","2020-10-21","18:00:00",""
"4035061","8.3367","0.0002","12.4816","0.0004","12.9221","0.0004","112.654","0.003","95.011","0.002","108.452","0.003","1142.96","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O3 S -","- C24 H21 Br N2 O3 S -","- C48 H42 Br2 N4 O6 S2 -","2","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0337","0.0327","","","0.0816","0.0823","","","","","","1.089","","","","has coordinates","226559","2020-10-21","18:00:00",""
"4035062","12.6257","0.0012","15.9625","0.0015","20.596","0.0019","90","","97.372","0.002","90","","4116.6","0.7","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C208 H184 N8 O16 -","8","2","","Ghosh, Koushik; Shankar, Majji; Rit, Raja K.; Dubey, Gurudutt; Bharatam, Prasad V.; Sahoo, Akhila K.","Sulfoximine-Assisted One-Pot Unsymmetrical Multiple Annulation of Arenes: A Combined Experimental and Computational Study.","The Journal of organic chemistry","2018","83","17","9667","9681","10.1021/acs.joc.8b01077","","","0.71073","MoKα","","0.1386","0.0668","","","0.1559","0.1954","","","","","","1.004","","","","has coordinates","226560","2020-10-21","18:00:00",""
"4035063","8.4828","0.0015","9.5212","0.0016","25.663","0.004","90","","90","","90","","2072.7","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-4-105","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0574","0.0445","","","0.0959","0.1007","","","","","","1.027","","","","has coordinates","226561","2020-10-21","18:00:00",""
"4035064","9.343","0.008","11.102","0.009","19.127","0.016","90","","90","","90","","1984","3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-20mL vial","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0395","0.0362","","","0.0949","0.098","","","","","","1.048","","","","has coordinates","226562","2020-10-21","18:00:00",""
"4035065","5.3196","0.0002","13.2115","0.0005","19.4963","0.0007","90","","90","","90","","1370.2","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0326","0.0277","","","0.0619","0.0654","","","","","","1.058","","","","has coordinates","226563","2020-10-21","18:00:00",""
"4035066","7.3556","0.0002","11.9761","0.0004","21.0147","0.0007","90","","90","","90","","1851.21","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O7 -","- C21 H19 N O7 -","- C84 H76 N4 O28 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0303","0.0267","","","0.0649","0.067","","","","","","1.063","","","","has coordinates","226564","2020-10-21","18:00:00",""
"4035067","8.9478","0.0002","13.8124","0.0003","18.1979","0.0005","90","","90","","90","","2249.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0397","0.0351","","","0.0908","0.0946","","","","","","1.008","","","","has coordinates","226565","2020-10-21","18:00:00",""
"4035068","10.933","0.007","9.353","0.005","11.274","0.009","90","","108.644","0.008","90","","1092.3","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(2,2,2-trinitroethyl)-1H-1,2,3-triazole-4,5-dicarbonitrile","1-(2,2,2-trinitroethyl)-1H-1,2,3-triazole-4,5-dicarbonitrile","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C24 H8 N32 O24 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas; Unger, Cornelia C.","Synthetic Routes to a Triazole and Tetrazole with Trinitroalkyl Substitution at Nitrogen.","The Journal of organic chemistry","2018","83","17","10505","10509","10.1021/acs.joc.8b01072","","","0.71073","MoKα","","0.0773","0.0453","","","0.0923","0.1064","","","","","","1.023","","","","has coordinates","226566","2020-10-21","18:00:00",""
"4035069","11.0691","0.0016","7.7257","0.0009","12.03","0.002","90","","114.457","0.019","90","","936.5","0.3","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(3,3,3-trinitropropyl)-tetrazole","1-(3,3,3-trinitropropyl)-1H-tetrazole","","- C4 H5 N7 O6 -","- C4 H5 N7 O6 -","- C16 H20 N28 O24 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas; Unger, Cornelia C.","Synthetic Routes to a Triazole and Tetrazole with Trinitroalkyl Substitution at Nitrogen.","The Journal of organic chemistry","2018","83","17","10505","10509","10.1021/acs.joc.8b01072","","","0.71073","MoKα","","0.0795","0.0449","","","0.0769","0.0911","","","","","","0.977","","","","has coordinates","226567","2020-10-21","18:00:00",""
"4035070","8.98962","0.00008","9.4394","0.00012","14.40897","0.00012","90","","94.9113","0.0008","90","","1218.21","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C60 H48 N4 O10 -","2","1","","Chen, Yu; Cui, Bao-Dong; Wang, Yi; Han, Wen-Yong; Wan, Nan-Wei; Bai, Mei; Yuan, Wei-Cheng; Chen, Yong-Zheng","Asymmetric [3 + 2] Cycloaddition Reaction of Isatin-Derived MBH Carbonates with 3-Methyleneoxindoles: Enantioselective Synthesis of 3,3'-Cyclopentenyldispirooxindoles Incorporating Two Adjacent Quaternary Spirostereocenters.","The Journal of organic chemistry","2018","83","17","10465","10475","10.1021/acs.joc.8b01506","","x-ray","1.54184","CuKα","","0.0438","0.0429","","","0.1152","0.1161","","","","","","1.077","","","","has coordinates","226568","2020-10-21","18:00:00",""
"4035071","40.6426","0.0012","19.3429","0.0005","5.63427","0.00014","90","","90","","90","","4429.4","0.2","150","","150","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C26 H34 N2 O2 -","- C26 H34 N2 O2 -","- C208 H272 N16 O16 -","8","0.5","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0276","0.027","","0.0699","0.0693","0.0699","","","","","","1.0053","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035072","11.2423","0.0004","10.247","0.0003","10.5891","0.0003","90","","112.855","0.004","90","","1124.09","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0398","0.0376","","0.0989","0.097","0.0989","","","","","","1.001","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035073","11.06116","0.00015","12.025","0.0002","12.97101","0.00018","90","","92.7666","0.0013","90","","1723.27","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","2","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0371","0.0363","","0.0978","0.0965","0.0978","","","","","","0.9982","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035074","5.71465","0.00009","11.1475","0.0002","9.58011","0.00015","90","","106.521","0.0017","90","","585.097","0.017","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0274","0.0267","","0.0663","0.0657","0.0663","","","","","","1.0335","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035075","7.6974","0.0003","8.3857","0.0004","27.1665","0.0015","90","","90","","90","","1753.55","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0485","0.0448","","0.1217","0.1185","0.1217","","","","","","0.9998","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035076","6.20379","0.00019","10.109","0.0004","21.0273","0.0007","90","","90","","90","","1318.71","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.031","0.0294","","0.0726","0.0714","0.0726","","","","","","1.0014","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035077","6.09911","0.00009","19.8667","0.0003","20.5517","0.0003","90","","90","","90","","2490.23","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O5 S -","- C28 H33 N O5 S -","- C112 H132 N4 O20 S4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.039","0.0369","","0.112","0.0991","0.1091","","","","","","1.0045","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035078","7.5945","0.0005","14.1084","0.0008","16.4675","0.0007","90","","90","","90","","1764.43","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0762","0.0718","","0.2015","0.1959","0.2015","","","","","","1.0006","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035079","6.66884","0.00012","10.20673","0.00017","26.001","0.0005","90","","90","","90","","1769.81","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0409","0.0379","","0.1017","0.0941","0.1017","","","","","","0.9969","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035080","6.1718","0.0012","8.9442","0.0008","19.711","0.002","90","","91.81","0.015","90","","1087.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl3 N O3 -","- C22 H28 Cl3 N O3 -","- C44 H56 Cl6 N2 O6 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0506","0.049","","0.1248","0.1237","0.1248","","","","","","1.0051","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035081","6.4569","0.0003","8.3507","0.0003","25.6234","0.001","90","","90","","90","","1381.6","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0294","0.0277","","0.0703","0.0685","0.0703","","","","","","1.0084","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035082","7.15836","0.00007","10.69592","0.00012","24.2138","0.0002","90","","90","","90","","1853.94","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0307","0.03","","0.0795","0.0787","0.0794","","","","","","1.0015","","","","has coordinates,has disorder","226569","2020-10-21","18:00:00",""
"4035083","15.45","0.0013","8.1309","0.0007","17.7096","0.0015","90","","115.073","0.004","90","","2015.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N2 O2 S4 -","- C17 H30 N2 O2 S4 -","- C68 H120 N8 O8 S16 -","4","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","1.54178","CuKα","","0.3244","0.0797","","","0.2919","0.44","","","","","","1.875","","","","has coordinates","226570","2020-10-21","18:00:00",""
"4035084","26.509","0.005","10.6554","0.0019","14.59","0.003","90","","90","","90","","4121.1","1.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H34 N2 S4 -","- C17 H34 N2 S4 -","- C136 H272 N16 S32 -","8","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0861","0.0786","","","0.2039","0.21","","","","","","1.061","","","","has coordinates","226571","2020-10-21","18:00:00",""
"4035085","9.821","0.003","27.136","0.007","9.389","0.002","90","","117.809","0.003","90","","2213.2","1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H37 B N2 S4 -","- C17 H37 B N2 S4 -","- C68 H148 B4 N8 S16 -","4","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0538","0.0426","","","0.0864","0.0922","","","","","","1.037","","","","has coordinates","226572","2020-10-21","18:00:00",""
"4035086","15.7615","0.0015","19.7057","0.0019","16.691","0.002","90","","116.115","0.004","90","","4654.9","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.5 H23 Cl F N3 -","- C28.5 H23 Cl F N3 -","- C228 H184 Cl8 F8 N24 -","8","2","","Kibriya, Golam; Bagdi, Avik Kumar; Hajra, Alakananda","Visible-Light-Promoted C(sp<sup>3</sup>)-C(sp<sup>2</sup>) Cross-Dehydrogenative Coupling of Tertiary Amine with Imidazopyridine.","The Journal of organic chemistry","2018","83","17","10619","10626","10.1021/acs.joc.8b01433","","","0.71073","MoKα","","0.1407","0.0873","","","0.2016","0.2616","","","","","","1.109","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035087","14.6889","0.001","10.2866","0.0007","15.7695","0.0011","90","","90.499","0.001","90","","2382.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 B N4 O7 -","- C22 H35 B N4 O7 -","- C88 H140 B4 N16 O28 -","4","2","","Golovanov, Ivan S.; Mazeina, Galina S.; Nelyubina, Yulia V.; Novikov, Roman A.; Mazur, Anton S.; Britvin, Sergey N.; Tartakovsky, Vladimir A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Exploiting Coupling of Boronic Acids with Triols for a pH-Dependent ""Click-Declick"" Chemistry.","The Journal of organic chemistry","2018","83","17","9756","9773","10.1021/acs.joc.8b01296","","","0.71073","MoKα","","0.0594","0.0443","","","0.0967","0.1056","","","","","","1.003","","","","has coordinates","226574","2020-10-21","18:00:00",""
"4035088","9.1299","0.0002","13.163","0.0003","23.1982","0.0004","97.047","0.002","91.529","0.002","101.08","0.002","2711.64","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","t-Butyl 2-benzyl-5-{[4-(benzyloxy)phenyl]methyl}-2-hydroxy-3-methyl- 4-oxoimidazolidine-1-carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C120 H136 N8 O20 -","4","2","","Lamb, Richard A.; Lucas, Nigel T.; Lessene, Guillaume; Hawkins, Bill C.","Strategies, Setbacks, and Successes in the Synthesis of (-)-Spiroleucettadine.","The Journal of organic chemistry","2018","83","17","10120","10133","10.1021/acs.joc.8b01404","","","1.54184","CuKα","","0.0576","0.0486","","","0.1232","0.132","","","","","","1.025","","","","has coordinates","226575","2020-10-21","18:00:00",""
"4035089","10.6463","0.0008","20.6161","0.0017","14.6073","0.0012","90","","103.522","0.003","90","","3117.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Cl N2 O2 S -","- C33 H39 Cl N2 O2 S -","- C132 H156 Cl4 N8 O8 S4 -","4","1","","Zhu, Xiao-Tong; Lu, Qiu-Li; Wang, Xiang; Zhang, Tian-Shu; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Substrate-Controlled Generation of 3-Sulfonylated 1-Indenones and 3-Arylated ( Z)-Indenes via Cu-Catalyzed Radical Cyclization Cascades of o-Alkynylbenzonitriles.","The Journal of organic chemistry","2018","83","17","9890","9901","10.1021/acs.joc.8b01343","","","0.71073","MoKα","","0.1164","0.0615","","","0.1678","0.1975","","","","","","1.098","","","","has coordinates,has disorder","226576","2020-10-21","18:00:00",""
"4035090","9.8859","0.0008","10.2261","0.0009","11.994","0.001","73.329","0.001","84.566","0.002","73.789","0.001","1115.23","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Zhu, Xiao-Tong; Lu, Qiu-Li; Wang, Xiang; Zhang, Tian-Shu; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Substrate-Controlled Generation of 3-Sulfonylated 1-Indenones and 3-Arylated ( Z)-Indenes via Cu-Catalyzed Radical Cyclization Cascades of o-Alkynylbenzonitriles.","The Journal of organic chemistry","2018","83","17","9890","9901","10.1021/acs.joc.8b01343","","","0.71073","MoKα","","0.0873","0.0491","","","0.0954","0.1032","","","","","","1.091","","","","has coordinates,has disorder","226577","2020-10-21","18:00:00",""
"4035091","10.071","0.003","17.413","0.004","18.47","0.005","90","","90","","90","","3239","1.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 O5 -","- C32 H48 N2 O5 -","- C128 H192 N8 O20 -","4","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.1826","0.0393","","","0.0542","0.0706","","","","","","0.621","","","","has coordinates","226578","2020-10-21","18:00:00",""
"4035092","5.976","0.0002","9.0579","0.0004","10.1215","0.0004","90","","91.597","0.002","90","","547.66","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C20 H34 N2 O10 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","1.54178","CuKα","","0.0238","0.0238","","","0.0627","0.0627","","","","","","1.093","","","","has coordinates","226579","2020-10-21","18:00:00",""
"4035093","9.8914","0.0012","11.3971","0.0013","13.1289","0.0015","90","","95.73","0.002","90","","1472.7","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H48 N2 O6 -","- C27 H48 N2 O6 -","- C54 H96 N4 O12 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.0649","0.0507","","","0.1249","0.1363","","","","","","1.049","","","","has coordinates","226580","2020-10-21","18:00:00",""
"4035094","8.8996","0.0008","9.65","0.0008","12.1116","0.001","106.271","0.0014","94.4157","0.0015","102.882","0.0015","962.5","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O3 Si -","- C23 H22 O3 Si -","- C46 H44 O6 Si2 -","2","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.0699","0.0468","","","0.1213","0.1313","","","","","","1.003","","","","has coordinates","226581","2020-10-21","18:00:00",""
"4035095","9.4113","0.0003","10.0279","0.0003","10.3607","0.0003","72.949","0.001","65.491","0.001","71.933","0.001","830.38","0.04","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C44 H32 O6 -","2","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.0551","0.0429","","","0.1133","0.1219","","","","","","1.029","","","","has coordinates","226582","2020-10-21","18:00:00",""
"4035096","6.2666","0.0007","32.998","0.004","8.043","0.0009","90","","90.847","0.002","90","","1663","0.3","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H17 N O2 Si -","- C19 H17 N O2 Si -","- C76 H68 N4 O8 Si4 -","4","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.046","0.0394","","","0.0871","0.09","","","","","","1.019","","","","has coordinates","226583","2020-10-21","18:00:00",""
"4035097","5.777","0.0001","16.7111","0.0004","17.372","0.0004","90","","90","","90","","1677.09","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","","1.54178","CuKα","","0.0522","0.0387","","","0.0936","0.1019","","","","","","1","","","","has coordinates","226584","2020-10-21","18:00:00",""
"4035098","12.6789","0.0002","15.7548","0.0003","27.245","0.0003","90","","90","","90","","5442.29","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C216 H176 Cl24 F16 O16 Rh8 S16 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","x-ray","1.54178","CuKα","","0.0371","0.0314","","","0.0724","0.0763","","","","","","1.044","","","","has coordinates","226585","2020-10-21","18:00:00",""
"4035099","7.9914","0.0007","15.5578","0.0013","18.6615","0.0015","90","","94.926","0.001","90","","2311.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl F2 O3 S -","- C26 H21 Cl F2 O3 S -","- C104 H84 Cl4 F8 O12 S4 -","4","1","","Zhu, Yi-Long; Zhu, Chi-Fan; Zhou, Peng; Hao, Wen-Juan; Wang, De-Cai; Tu, Shu-Jiang; Jiang, Bo","Pd(II)-Catalyzed Carbonyl-Directing Activation of Alkenes: Selective Fluorosulfonylation and Aminosulfonylation of 1,7-Enynes.","The Journal of organic chemistry","2018","83","17","9641","9653","10.1021/acs.joc.8b00994","","","0.71073","MoKα","","0.0935","0.0493","","","0.1113","0.1308","","","","","","1.014","","","","has coordinates","226586","2020-10-21","18:00:00",""
"4035100","13.6597","0.0013","23.06","0.002","12.208","0.0012","90","","111.881","0.003","90","","3568.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 F N O8 S3 -","- C39 H34 F N O8 S3 -","- C156 H136 F4 N4 O32 S12 -","4","1","","Zhu, Yi-Long; Zhu, Chi-Fan; Zhou, Peng; Hao, Wen-Juan; Wang, De-Cai; Tu, Shu-Jiang; Jiang, Bo","Pd(II)-Catalyzed Carbonyl-Directing Activation of Alkenes: Selective Fluorosulfonylation and Aminosulfonylation of 1,7-Enynes.","The Journal of organic chemistry","2018","83","17","9641","9653","10.1021/acs.joc.8b00994","","","0.71073","MoKα","","0.1141","0.0519","","","0.1182","0.1453","","","","","","1.012","","","","has coordinates","226588","2020-10-21","18:00:00",""
"4035101","5.3809","0.0002","9.3938","0.0003","20.0221","0.0006","90","","90","","90","","1012.06","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0295","0.0266","","","0.064","0.0648","","","","","","1.057","","","","has coordinates","226589","2020-10-21","18:00:00",""
"4035102","30.0065","0.0015","6.5012","0.0003","13.4207","0.0007","90","","108.954","0.001","90","","2476.1","0.2","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H15 F N2 O7 -","- C10 H15 F N2 O7 -","- C80 H120 F8 N16 O56 -","8","2","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0451","0.0449","","","0.1283","0.1285","","","","","","1.159","","","","has coordinates","226590","2020-10-21","18:00:00",""
"4035103","6.6418","0.0002","9.5458","0.0002","21.8207","0.0005","90","","90","","90","","1383.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.54178","CuKα","","0.0319","0.0317","","","0.0877","0.088","","","","","","1.053","","","","has coordinates","226591","2020-10-21","18:00:00",""
"4035104","5.9682","0.0002","7.005","0.0002","13.9039","0.0005","95.289","0.001","93.695","0.001","91.165","0.001","577.4","0.03","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F N2 O6 -","- C10 H13 F N2 O6 -","- C20 H26 F2 N4 O12 -","2","2","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0282","0.0279","","","0.0726","0.0728","","","","","","1.047","","","","has coordinates","226592","2020-10-21","18:00:00",""
"4035105","7.5688","0.0006","16.8412","0.0015","9.6681","0.0008","90","","90","","90","","1232.37","0.18","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","yazh-K131","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0859","0.0752","","","0.2023","0.213","","","","","","1.111","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035106","17.8369","0.0004","7.1622","0.0002","23.2165","0.0005","90","","108.186","0.0009","90","","2817.78","0.12","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","yazh-121D","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","2","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0455","0.0408","","","0.0993","0.1025","","","","","","1.053","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035107","22.6168","0.0009","7.8822","0.0003","7.0176","0.0003","90","","90.1627","0.0017","90","","1251.02","0.09","100","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","YAZU-K333","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0444","0.0424","","","0.1065","0.1084","","","","","","1.087","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035108","10.9512","0.0005","11.7033","0.0006","17.3015","0.0009","78.412","0.002","74.5815","0.0018","73.6581","0.0018","2032.14","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H42 N6 O4 -","- C51 H42 N6 O4 -","- C102 H84 N12 O8 -","2","1","","Luciano, Michael P.; Akhigbe, Joshua; Ding, Jiaming; Thuita, Damaris; Hamchand, Randy; Zeller, Matthias; Brückner, Christian","An Alternate Route of Transforming meso-Tetraarylporphyrins to Porpholactams, and Their Conversion to Amine-Functionalized Imidazoloporphyrins.","The Journal of organic chemistry","2018","83","17","9619","9630","10.1021/acs.joc.8b00790","","","0.71073","MoKα","","0.0733","0.0541","","","0.1159","0.1324","","","","","","1.036","","","","has coordinates,has disorder","226594","2020-10-21","18:00:00",""
"4035109","9.5189","0.0007","13.8293","0.0009","20.6264","0.0014","97.419","0.003","102.316","0.003","109.689","0.003","2437.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H50.42 Cl1.58 N8 O2.21 -","- C58 H50.424 Cl1.576 N8 O2.212 -","- C116 H100.848 Cl3.152 N16 O4.424 -","2","1","","Luciano, Michael P.; Akhigbe, Joshua; Ding, Jiaming; Thuita, Damaris; Hamchand, Randy; Zeller, Matthias; Brückner, Christian","An Alternate Route of Transforming meso-Tetraarylporphyrins to Porpholactams, and Their Conversion to Amine-Functionalized Imidazoloporphyrins.","The Journal of organic chemistry","2018","83","17","9619","9630","10.1021/acs.joc.8b00790","","","1.54178","CuKα","","0.0865","0.0725","","","0.1829","0.1914","","","","","","1.037","","","","has coordinates,has disorder","226595","2020-10-21","18:00:00",""
"4035110","12.0586","0.0006","6.1772","0.0003","20.5745","0.001","90","","102.608","0.0007","90","","1495.6","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Bartolo, Nicole D.; Woerpel, K. A.","Mechanistic Insight into Additions of Allylic Grignard Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2018","83","17","10197","10206","10.1021/acs.joc.8b01430","","","0.71073","MoKα","","0.0452","0.0402","","","0.1054","0.1095","","","","","","1.036","","","","has coordinates","226596","2020-10-21","18:00:00",""
"4035111","16.0527","0.0009","8.4274","0.0004","5.919","0.0003","90","","90","","90","","800.74","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0413","0.0411","","","0.1038","0.1041","","","","","","1.076","","","","has coordinates","226597","2020-10-21","18:00:00",""
"4035112","11.3565","0.0002","11.3565","0.0002","9.147","0.0002","90","","90","","120","","1021.64","0.03","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C48 H54 O9 -","3","0.5","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0299","0.0298","","","0.0779","0.078","","","","","","1.091","","","","has coordinates","226598","2020-10-21","18:00:00",""
"4035113","8.4084","0.0008","13.5716","0.0013","15.4024","0.0017","90","","90","","90","","1757.7","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F N O2 S -","- C19 H20 F N O2 S -","- C76 H80 F4 N4 O8 S4 -","4","1","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0669","0.0447","","","0.0883","0.1008","","","","","","1.04","","","","has coordinates","226599","2020-10-21","18:00:00",""
"4035114","10.9996","0.0005","44.458","0.002","11.2795","0.0005","90","","108.675","0.002","90","","5225.5","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","4","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0575","0.0491","","","0.1299","0.1369","","","","","","1.033","","","","has coordinates","226600","2020-10-21","18:00:00",""
"4035115","11.96003","0.00019","17.9032","0.0002","28.5501","0.0004","90","","90","","90","","6113.23","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H79 Cl3 N6 O5 -","- C62 H79 Cl3 N6 O5 -","- C248 H316 Cl12 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0747","0.0709","","","0.21","0.2162","","","","","","1.011","","","","has coordinates","226601","2020-10-21","18:00:00",""
"4035116","12.6557","0.0002","17.4453","0.0003","29.2029","0.0005","90","","90","","90","","6447.49","0.19","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N6 O5 -","- C62 H78 N6 O5 -","- C248 H312 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0461","0.0423","","","0.1084","0.1116","","","","","","1.029","","","","has coordinates","226602","2020-10-21","18:00:00",""
"4035117","12.3901","0.0015","12.9753","0.0015","15.7398","0.0015","81.13","0.003","81.169","0.003","66.314","0.004","2277.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 F6 N4 O0 -","- C52 H42 F6 N4 -","- C104 H84 F12 N8 -","2","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","","0.71073","MoKα","","0.1667","0.0897","","","0.2694","0.3493","","","","","","1.057","","","","has coordinates","226603","2020-10-21","18:00:00",""
"4035118","13.8214","0.0002","16.8165","0.0002","16.3527","0.0003","90","","109.358","0.002","90","","3585.94","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 F6 N4 -","- C46 H30 F6 N4 -","- C184 H120 F24 N16 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","x-ray","1.54184","CuKα","","0.0464","0.042","","","0.1086","0.1129","","","","","","1.033","","","","has coordinates","226604","2020-10-21","18:00:00",""
"4035119","13.906","0.0002","16.6094","0.0002","16.5593","0.0002","90","","108.176","0.002","90","","3633.86","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 F6 N4 O2 -","- C46 H30 F6 N4 O2 -","- C184 H120 F24 N16 O8 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","x-ray","1.54184","CuKα","","0.0522","0.0439","","","0.1161","0.1248","","","","","","1.026","","","","has coordinates","226605","2020-10-21","18:00:00",""
"4035120","13.808","0.003","16.82","0.003","16.316","0.003","90","","108.35","0.03","90","","3596.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F8 N4 -","- C44 H24 F8 N4 -","- C176 H96 F32 N16 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","","0.71073","MoKα","","0.096","0.066","","","0.2112","0.2351","","","","","","1.071","","","","has coordinates","226606","2020-10-21","18:00:00",""
"4035121","12.82","0.005","6.017","0.001","14.764","0.005","90","","104.3","0.03","90","","1103.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B N -","- C11 H18 B N -","- C44 H72 B4 N4 -","4","1","","Andresini, Michael; De Angelis, Sonia; Uricchio, Antonella; Visaggio, Angelica; Romanazzi, Giuseppe; Ciriaco, Fulvio; Corriero, Nicola; Degennaro, Leonardo; Luisi, Renzo","Azetidine-Borane Complexes: Synthesis, Reactivity, and Stereoselective Functionalization.","The Journal of organic chemistry","2018","83","17","10221","10230","10.1021/acs.joc.8b01441","","","0.71073","MoKα","","0.1045","0.0701","","","0.1986","0.2311","","","","","","1.004","","","","has coordinates","226607","2020-10-21","18:00:00",""
"4035122","8.7597","0.0005","10.678","0.0006","11.1484","0.0007","94.022","0.002","98.197","0.002","113.638","0.002","936.16","0.1","180","2","180.45","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F3 O5 S -","- C21 H16 F3 O5 S -","- C42 H32 F6 O10 S2 -","2","1","","Dmytrejchuk, Ana M.; Jackson, Sydney N.; Meudom, Rolande; Gorden, John D.; Merner, Bradley L.","Regioselective Synthesis of Unsymmetric Tetra- and Pentasubstituted Pyrenes with a Strategy for Primary C-Alkylation at the 2-Position.","The Journal of organic chemistry","2018","83","17","10660","10667","10.1021/acs.joc.8b01491","","","0.71073","MoKα","","0.0895","0.0819","","","0.2095","0.217","","","","","","1.0486","","","","has coordinates","226608","2020-10-21","18:00:00",""
"4035123","13.2455","0.001","13.4892","0.0009","16.3343","0.0013","101.966","0.005","106.648","0.004","108.546","0.004","2503.7","0.4","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H40 O9 -","- C76 H40 O9.001 -","- C152 H80 O18.002 -","2","1","","Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi","Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.","The Journal of organic chemistry","2018","83","17","10655","10659","10.1021/acs.joc.8b01485","","","1.54178","CuKα","","0.1352","0.094","","","0.3256","0.3533","","","","","","1.06","","","","has coordinates,has disorder","226609","2020-10-21","18:00:00",""
"4035124","11.8424","0.0003","11.8424","0.0003","23.682","0.0007","90","","90","","120","","2876.26","0.13","120","0.2","120","0.2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C68 H24 O8 -","- C68 H24 O8 -","- C204 H72 O24 -","3","0.5","","Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi","Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.","The Journal of organic chemistry","2018","83","17","10655","10659","10.1021/acs.joc.8b01485","","","1.54178","CuKα","","0.0502","0.0389","","","0.0823","0.0858","","","","","","1.064","","","","has coordinates","226610","2020-10-21","18:00:00",""
"4035125","18.782","0.002","17.2873","0.0018","19.209","0.002","90","","90.113","0.002","90","","6237","1.1","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H106 N6 O11 -","- C58 H104 N6 O10.9999 -","- C232 H416 N24 O43.9996 -","4","1","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.1363","0.072","","","0.1718","0.2018","","","","","","1.015","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4035126","22.011","0.0007","22.011","0.0007","42.9761","0.0014","90","","90","","120","","18031.7","1","100","2","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C229 H355 Cl3 N30 O40 P4 -","- C229 H355 Cl3 N30 O40 P4 -","- C687 H1065 Cl9 N90 O120 P12 -","3","0.166667","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.0792","0.055","","","0.1422","0.1612","","","","","","1.043","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4035127","6.84078","0.00007","17.53746","0.00016","23.1555","0.0003","90","","93.7583","0.001","90","","2771.99","0.05","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 B2 F0.25 N4 O4 S0.25 Si -","- C30 H28 B2 F4 N4 S -","- C120 H112 B8 F16 N16 S4 -","4","1","","Arroyo-Córdoba, Ismael J; Sola-Llano, Rebeca; Epelde-Elezcano, Nerea; Arbeloa, Iñigo López; Martínez-Martínez, Virginia; Peña-Cabrera, Eduardo","Fully Functionalizable β,β'-BODIPY Dimer: Synthesis, Structure, and Photophysical Signatures.","The Journal of organic chemistry","2018","83","17","10186","10196","10.1021/acs.joc.8b01429","","","1.54184","CuKα","","0.0398","0.0372","","","0.1006","0.1032","","","","","","1.043","","","","has coordinates","226612","2020-10-21","18:00:00",""
"4035128","14.3105","0.0006","18.8797","0.0008","24.8734","0.0011","90","","90","","90","","6720.2","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C43 H42 O -","- C43 H42 O -","- C344 H336 O8 -","8","1","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Hazra, Raju; Anand, Ramasamy Vijaya","1,6-Hydroolefination and Cascade Cyclization of p-Quinone Methides with Styrenes: Total Synthesis of (±)-Isopaucifloral F.","The Journal of organic chemistry","2018","83","17","10107","10119","10.1021/acs.joc.8b01401","","x-ray","0.71073","MoKα","","0.0575","0.0445","","","0.1128","0.1299","","","","","","1.065","","","","has coordinates","226613","2020-10-21","18:00:00",""
"4035129","4.873","","13.275","","17.609","","100","","90.58","","91.12","","1121.48","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O S -","- C13 H9 N3 O S -","- C52 H36 N12 O4 S4 -","4","2","","Nguyen, Yen H.; Lampkin, Bryan J.; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; VanVeller, Brett","Open-Resonance-Assisted Hydrogen Bonds and Competing Quasiaromaticity.","The Journal of organic chemistry","2018","83","17","9850","9857","10.1021/acs.joc.8b01331","","","1.54178","CuKα","","0.0677","0.0447","","","0.1326","0.1515","","","","","","1.238","","","","has coordinates","226614","2020-10-21","18:00:00",""
"4035130","7.2678","0.0008","24.682","0.003","6.803","0.0009","90","","102.275","0.009","90","","1192.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","","Nguyen, Yen H.; Lampkin, Bryan J.; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; VanVeller, Brett","Open-Resonance-Assisted Hydrogen Bonds and Competing Quasiaromaticity.","The Journal of organic chemistry","2018","83","17","9850","9857","10.1021/acs.joc.8b01331","","","1.54178","CuKα","","0.0549","0.0406","","","0.1062","0.1294","","","","","","0.557","","","","has coordinates","226615","2020-10-21","18:00:00",""
"4035131","10.0592","0.0006","19.9716","0.0009","9.5035","0.0005","90","","117.478","0.007","90","","1693.85","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N O2 -","- C22 H18 N O2 -","- C88 H72 N4 O8 -","4","1","","Xu, Zhong-Qi; Wang, Chao; Li, Lin; Duan, Lili; Li, Yue-Ming","Construction of 3,4-Dihydroisoquinolinones and Indanones via DTBP-Promoted Oxidative Coupling of N-Allylbenzamides with Aromatic Aldehydes.","The Journal of organic chemistry","2018","83","17","9718","9728","10.1021/acs.joc.8b01242","","x-ray","1.54184","CuKα","","0.0688","0.0638","","","0.1785","0.1847","","","","","","1.062","","","","has coordinates","226616","2020-10-21","18:00:00",""
"4035132","12.4405","0.0003","7.186","0.0001","18.7293","0.0004","90","","97.191","0.002","90","","1661.18","0.06","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Xu, Zhong-Qi; Wang, Chao; Li, Lin; Duan, Lili; Li, Yue-Ming","Construction of 3,4-Dihydroisoquinolinones and Indanones via DTBP-Promoted Oxidative Coupling of N-Allylbenzamides with Aromatic Aldehydes.","The Journal of organic chemistry","2018","83","17","9718","9728","10.1021/acs.joc.8b01242","","x-ray","1.54178","CuKα","","0.0521","0.0502","","","0.1315","0.1327","","","","","","1.073","","","","has coordinates","226617","2020-10-21","18:00:00",""
"4035133","9.8225","0.0003","13.8254","0.0005","15.3324","0.0005","90","","90","","90","","2082.14","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0693","0.0717","","","","","","1.009","","","","has coordinates","226618","2020-10-21","18:00:00",""
"4035134","19.982","0.001","7.7011","0.0004","13.3717","0.0006","90","","99.959","0.004","90","","2026.68","0.17","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H25 N O3 S2 -","- C20 H25 N O3 S2 -","- C80 H100 N4 O12 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.027","0.026","","","0.062","0.0625","","","","","","1.05","","","","has coordinates","226619","2020-10-21","18:00:00",""
"4035135","10.7835","0.0003","24.3459","0.0005","11.838","0.0003","90","","115.986","0.004","90","","2793.67","0.15","294.7","0.5","294.7","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H63.97 O12 -","- C68 H64 O12 -","- C136 H128 O24 -","2","1","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0723","0.0679","","","0.1837","0.1933","","","","","","1.029","","","","has coordinates,has disorder","226620","2020-10-21","18:00:00",""
"4035136","10.8962","0.0004","16.0389","0.0004","11.6123","0.0003","90","","104.434","0.003","90","","1965.34","0.1","295.77","0.11","295.77","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C96 H80 O24 -","4","2","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1334","0.1377","","","","","","1.026","","","","has coordinates","226621","2020-10-21","18:00:00",""
"4035137","14.5703","0.0004","8.1574","0.0003","14.7938","0.0005","90","","104.598","0.003","90","","1701.57","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl O3 -","- C19 H19 Cl O3 -","- C76 H76 Cl4 O12 -","4","1","","Chai, Yonghai; Zhou, JinJin; Wu, Yanbin; Feng, Yingle; Wang, Panru; Chen, Yange; Wang, Xinying; Zhao, Beibei; Zhang, Qi","Organo-Catalyzed Regio- and Geometry-Specific Construction of β-Hydroxyl-α-vinyl Carboxylic Esters: Substrate Scope, Mechanistic Insights, and Applications.","The Journal of organic chemistry","2018","83","17","10476","10486","10.1021/acs.joc.8b01510","","","1.54178","CuKα","","0.0602","0.0489","","","0.126","0.1371","","","","","","1.06","","","","has coordinates","226622","2020-10-21","18:00:00",""
"4035138","17.1424","0.0004","5.80416","0.00017","17.8991","0.0004","90","","104.562","0.002","90","","1723.7","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Chai, Yonghai; Zhou, JinJin; Wu, Yanbin; Feng, Yingle; Wang, Panru; Chen, Yange; Wang, Xinying; Zhao, Beibei; Zhang, Qi","Organo-Catalyzed Regio- and Geometry-Specific Construction of β-Hydroxyl-α-vinyl Carboxylic Esters: Substrate Scope, Mechanistic Insights, and Applications.","The Journal of organic chemistry","2018","83","17","10476","10486","10.1021/acs.joc.8b01510","","","1.54184","CuKα","","0.0432","0.037","","","0.1004","0.1059","","","","","","1.04","","","","has coordinates","226623","2020-10-21","18:00:00",""
"4035139","7.7647","0.0007","11.6418","0.0009","23.985","0.002","90","","90","","90","","2168.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O7 -","- C22 H26 N2 O7 -","- C88 H104 N8 O28 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.05","0.0423","","","0.1097","0.1154","","","","","","1.062","","","","has coordinates","226624","2020-10-21","18:00:00",""
"4035140","6.8209","0.0007","8.7627","0.001","18.8032","0.0019","90","","99.61","0.004","90","","1108.1","0.2","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N0 O7 -","- C23 H28 O7 -","- C46 H56 O14 -","2","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.0888","0.0626","","","0.1509","0.1668","","","","","","1.017","","","","has coordinates","226625","2020-10-21","18:00:00",""
"4035141","10.4407","0.0005","13.4314","0.0004","16.6407","0.0007","90","","90","","90","","2333.58","0.16","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C96 H120 O24 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","1.54184","CuKα","","0.0594","0.0461","","","0.1071","0.1182","","","","","","1.046","","","","has coordinates","226626","2020-10-21","18:00:00",""
"4035142","10.666","0.0004","18.7662","0.0007","12.2143","0.0004","90","","112.318","0.001","90","","2261.68","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C96 H116 N4 O28 -","4","1","","Modugu, Nagi Reddy; Mehta, Goverdhan","Synthesis of the Polyoxygenated Cyclohexanoid Core of Bioactive Glycosides Xylosmin and Flacourtosides E and F.","The Journal of organic chemistry","2018","83","17","10573","10579","10.1021/acs.joc.8b01389","","","0.71073","MoKα","","0.089","0.0547","","","0.1282","0.145","","","","","","1.017","","","","has coordinates","226627","2020-10-21","18:00:00",""
"4035143","16.9246","0.0007","7.3318","0.0003","12.7929","0.0006","90","","108.147","0.002","90","","1508.48","0.11","101","2","101","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Marshal Law/Mitchell ether from acetone","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0385","0.0343","","","0.0839","0.0872","","","","","","1.036","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035144","18.5504","0.0009","8.0039","0.0004","11.6981","0.0006","90","","96.643","0.003","90","","1725.22","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Zwick/Mitchell II-2 f7-11","","","- C17 H28 O3 Si -","- C17 H28 O3 Si -","- C68 H112 O12 Si4 -","4","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0619","0.0419","","","0.0893","0.0953","","","","","","1.035","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035145","7.0888","0.0003","8.1527","0.0003","18.2143","0.0008","85.311","0.003","81.831","0.003","67.988","0.003","965.56","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Zwick/TAM II-4 f8-13","","","- C18 H30 O5 Si -","- C18 H30 O5 Si -","- C36 H60 O10 Si2 -","2","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.049","0.0383","","","0.1023","0.1085","","","","","","1.089","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035146","8.392","0.002","19.953","0.006","10.911","0.003","90","","94.638","0.005","90","","1821","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Law/Mitchell CML-II-66","","","- C10 H12 O5 -","- C10 H12 O5 -","- C80 H96 O40 -","8","2","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0526","0.0383","","","0.0869","0.0943","","","","","","1.026","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035147","17.855","0.003","7.9583","0.0015","18.76","0.003","90","","90","","90","","2665.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","CML-II-141 from acetone","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0442","0.0358","","","0.088","0.0934","","","","","","1.032","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035148","7.6447","0.0003","10.7486","0.0003","16.9041","0.0005","90","","99.104","0.002","90","","1371.51","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","CML-II-142","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0438","0.0356","","","0.0829","0.0881","","","","","","1.02","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035149","16.181","0.006","4.436","0.0011","15.689","0.004","90","","110.85","0.03","90","","1052.4","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N O -","- C14 H10 N O -","- C56 H40 N4 O4 -","4","1","","Banik, Ananya; Paira, Rupankar; Shaw, Bikash Kumar; Vijaykumar, Gonela; Mandal, Swadhin K.","Accessing Heterobiaryls through Transition-Metal-Free C-H Functionalization.","The Journal of organic chemistry","2018","83","6","3236","3244","10.1021/acs.joc.8b00140","","x-ray","0.71073","MoKα","","0.1802","0.0887","","","0.2296","0.3376","","","","","","0.7747","","","","has coordinates","226629","2020-10-21","18:00:00",""
"4035150","5.7105","0.0001","16.0865","0.0003","21.9222","0.0004","90","","90","","90","","2013.82","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S -","- C22 H24 O4 S -","- C88 H96 O16 S4 -","4","1","","Fulton, Jennifer L.; Horwitz, Matthew A.; Bruske, Ericka L.; Johnson, Jeffrey S.","Asymmetric Organocatalytic Sulfa-Michael Addition to Enone Diesters.","The Journal of organic chemistry","2018","83","6","3385","3391","10.1021/acs.joc.8b00007","","","1.54178","CuKα","","0.0332","0.0297","","","0.073","0.0754","","","","","","1.04","","","","has coordinates","226630","2020-10-21","18:00:00",""
"4035151","8.1778","0.0014","19.099","0.003","11.0352","0.0019","90","","110.571","0.0019","90","","1613.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 I2 P S3 -","- C14 H7 I2 P S3 -","- C56 H28 I8 P4 S12 -","4","1","","Higashino, Tomohiro; Ishida, Keiichi; Satoh, Takaharu; Matano, Yoshihiro; Imahori, Hiroshi","Phosphole-Thiophene Hybrid: A Dual Role of Dithieno[3,4- b:3',4'- d]phosphole as Electron Acceptor and Electron Donor.","The Journal of organic chemistry","2018","83","6","3397","3402","10.1021/acs.joc.8b00030","","","0.7107","MoKα","","0.0228","0.0189","","","0.0395","0.04","","","","","","1.016","","","","has coordinates","226631","2020-10-21","18:00:00",""
"4035152","12.2856","0.0004","23.0002","0.0006","13.9552","0.0004","90","","101.088","0.002","90","","3869.7","0.2","111","2","111","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H19 F4 O0.5 -","- C25.5 H19 F4 O0.5 -","- C204 H152 F32 O4 -","8","2","","Shen, Bin; Geiger, Thomas; Einholz, Ralf; Reicherter, Florian; Schundelmeier, Simon; Maichle-Mössmer, Cäcilia; Speiser, Bernd; Bettinger, Holger F.","Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States.","The Journal of organic chemistry","2018","83","6","3149","3158","10.1021/acs.joc.7b03241","","","0.71073","MoKα","","0.067","0.047","","","0.0968","0.1074","","","","","","0.934","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035153","9.9808","0.0003","9.9808","0.0003","9.5853","0.0003","90","","90","","120","","826.93","0.04","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C33 H36 Cl3 N3 O6 -","3","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0303","0.0281","","","0.067","0.0678","","","","","","1.089","","","","has coordinates,has disorder","226633","2020-10-21","18:00:00",""
"4035154","10.4408","0.0007","7.517","0.0006","14.8019","0.0011","90","","110.65","","90","","1087.07","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0581","0.0487","","","0.1312","0.1353","","","","","","1.069","","","","has coordinates","226634","2020-10-21","18:00:00",""
"4035155","7.4007","0.0007","21.7382","0.0018","7.488","0.0009","90","","105.323","0.012","90","","1161.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C44 H44 Cl8 N4 O8 -","4","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0362","0.0322","","","0.0879","0.0899","","","","","","1.07","","","","has coordinates","226635","2020-10-21","18:00:00",""
"4035156","9.3307","0.0006","13.3778","0.0009","15.3562","0.001","90","","90","","90","","1916.8","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N Se -","- C23 H25 N Se -","- C92 H100 N4 Se4 -","4","1","","Shibahara, Fumitoshi; Suzuki, Masafumi; Kubota, Saki; Fukunaga, Tomoki; Udagawa, Taro; Murai, Toshiaki","Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements.","The Journal of organic chemistry","2018","83","6","3078","3089","10.1021/acs.joc.8b00306","","","1.54187","CuKα","","0.0293","0.0262","","","0.059","0.0604","","","","","","1.059","","","","has coordinates","226636","2020-10-21","18:00:00",""
"4035157","5.194","0.0002","10.453","0.0005","23.0032","0.0011","90","","90","","90","","1248.91","0.1","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cl2 N2 O6 -","- C10 H8 Cl2 N2 O6 -","- C40 H32 Cl8 N8 O24 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","0.71073","MoKα","","0.0418","0.0327","","","0.0663","0.0695","","","","","","1.026","","","","has coordinates","226637","2020-10-21","18:00:00",""
"4035158","14.051","0.003","13.168","0.004","25.958","0.007","90","","96.49","0.02","90","","4772","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 B F N2 O2 -","- C15 H18 B F N2 O2 -","- C180 H216 B12 F12 N24 O24 -","12","3","","Levchenko, Vitalina; Dmytriv, Yurii V.; Tymtsunik, Andriy V.; Liubchak, Konstantin; Rudnichenko, Alexander; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Otsalyuk, Oleksandr M.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Preparation of 5-Fluoropyrazoles from Pyrazoles and N-Fluorobenzenesulfonimide (NFSI).","The Journal of organic chemistry","2018","83","6","3265","3274","10.1021/acs.joc.8b00199","","","0.71073","MoKα","","0.2324","0.0797","","","0.179","0.2299","","","","","","0.898","","","","has coordinates","226638","2020-10-21","18:00:00",""
"4035159","8.349","0.003","12.98","0.004","19.618","0.007","99.189","0.016","95.609","0.017","108.607","0.014","1963.7","1.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36.01 H54 N14 O5 -","- C36 H54 N14 O5 -","- C72 H108 N28 O10 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0704","0.0654","","","0.1639","0.168","","","","","","1.091","","","","has coordinates,has disorder","226639","2020-10-21","18:00:00",""
"4035160","9.626","0.003","14.735","0.004","20.914","0.006","90","","89.996","0.004","90","","2966.4","1.5","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 Cl2 N20 O8 -","- C53 H62 Cl2 N20 O8 -","- C106 H124 Cl4 N40 O16 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1111","0.092","","","0.2218","0.2404","","","","","","1.08","","","","has coordinates,has disorder","226640","2020-10-21","18:00:00",""
"4035161","23.38","0.005","15.66","0.003","17.82","0.004","90","","90","","90","","6524","2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H28 Cl2 N10 O6 -","- C28 H28 Cl2 N10 O6 -","- C224 H224 Cl16 N80 O48 -","8","2","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1089","0.0854","","","0.1744","0.1907","","","","","","1.081","","","","has coordinates","226641","2020-10-21","18:00:00",""
"4035162","20.197","0.004","21.108","0.004","10.26","0.002","90","","90","","90","","4374","1.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cl2 N12 O4 -","- C30 H34 Cl2 N12 O4 -","- C120 H136 Cl8 N48 O16 -","4","0.5","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0588","0.0587","","","0.1696","0.1696","","","","","","1.138","","","","has coordinates","226642","2020-10-21","18:00:00",""
"4035163","14.1376","0.0005","12.3877","0.0005","18.7603","0.0007","90","","94.69","0.004","90","","3274.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 N11 O7 -","- C30 H37 N11 O7 -","- C120 H148 N44 O28 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","x-ray","1.54184","CuKα","","0.0847","0.0655","","","0.1748","0.1948","","","","","","1.042","","","","has coordinates,has disorder","226643","2020-10-21","18:00:00",""
"4035164","10.26","0.002","10.6085","0.0015","11.2369","0.0017","94.317","0.016","115.917","0.016","115.692","0.014","936.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","methoxyphenyl phenylbenzo selenopheno selenophene","3-(4-methoxyphenyl)-2-phenylbenzo[b]selenopheno[3,2-d]selenophene","","- C23 H16 O Se2 -","- C23 H16 O Se2 -","- C46 H32 O2 Se4 -","2","1","","Martins, Guilherme M.; Back, Davi F.; Kaufman, Teodoro S.; Silveira, Claudio C.","SeCl<sub>2</sub>-Mediated Approach Toward Indole-Containing Polysubstituted Selenophenes.","The Journal of organic chemistry","2018","83","6","3252","3264","10.1021/acs.joc.8b00166","","","1.54178","CuKα","","0.0292","0.029","","","0.0738","0.0739","","","","","","1.119","","","","has coordinates","226644","2020-10-21","18:00:00",""
"4035165","29.657","0.004","8.1546","0.0012","21.065","0.003","90","","129.27","0.004","90","","3943.9","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole","3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole","","- C25 H17 N Se2 -","- C25 H17 N Se2 -","- C200 H136 N8 Se16 -","8","1","","Martins, Guilherme M.; Back, Davi F.; Kaufman, Teodoro S.; Silveira, Claudio C.","SeCl<sub>2</sub>-Mediated Approach Toward Indole-Containing Polysubstituted Selenophenes.","The Journal of organic chemistry","2018","83","6","3252","3264","10.1021/acs.joc.8b00166","","","0.71073","MoKα","","0.045","0.0304","","","0.0743","0.0802","","","","","","1.029","","","","has coordinates","226645","2020-10-21","18:00:00",""
"4035166","14.8678","0.0006","8.0055","0.0003","11.3689","0.0005","90","","100.528","0.004","90","","1330.39","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","","0.71073","MoKα","","0.0571","0.0432","","","0.0894","0.0958","","","","","","1.036","","","","has coordinates","226646","2020-10-21","18:00:00",""
"4035167","6.6661","0.0003","14.0379","0.0006","10.8986","0.0005","90","","98.965","0.004","90","","1007.41","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C48 H36 N12 O4 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","x-ray","1.54184","CuKα","","0.0477","0.0394","","","0.0984","0.1054","","","","","","1.068","","","","has coordinates","226647","2020-10-21","18:00:00",""
"4035168","13.8012","0.0004","14.1127","0.0005","15.8686","0.0006","90.852","0.002","104.066","0.002","103.825","0.002","2902.49","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15.25 H10 I N O1.75 -","- C15.25 H10 I N O1.75 -","- C122 H80 I8 N8 O14 -","8","4","","Brahmchari, Dhirendra; Verma, Akhilesh K.; Mehta, Saurabh","Regio- and Stereoselective Synthesis of Isoindolin-1-ones through BuLi-Mediated Iodoaminocyclization of 2-(1-Alkynyl)benzamides.","The Journal of organic chemistry","2018","83","6","3339","3347","10.1021/acs.joc.7b02903","","","0.71073","MoKα","","0.0838","0.0501","","","0.1282","0.1562","","","","","","1.022","","","","has coordinates,has disorder","226648","2020-10-21","18:00:00",""
"4035169","8.237","0.0002","10.4144","0.0003","8.7895","0.0003","90","","102.906","0.001","90","","734.95","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-831","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.046","0.0397","","","0.0999","0.1032","","","","","","1.069","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035170","7.2928","0.0004","11.7582","0.0007","9.4213","0.0005","90","","112.645","0.002","90","","745.6","0.07","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-803","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0378","0.0332","","","0.0743","0.0766","","","","","","1.078","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035171","10.3207","0.0002","13.0112","0.0003","24.0063","0.0006","90","","90","","90","","3223.68","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","673","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","2","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0436","0.0398","","","0.1032","0.1057","","","","","","1.04","","","","has coordinates,has disorder","226649","2020-10-21","18:00:00",""
"4035172","22.4524","0.0008","6.2502","0.0002","10.4159","0.0004","90","","102.201","0.0013","90","","1428.67","0.09","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","785","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0329","0.0307","","","0.0703","0.0714","","","","","","1.082","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035173","7.3367","0.0007","12.348","0.0012","8.6496","0.0009","90","","105.847","0.001","90","","753.82","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 F3 N2 O -","- C7 H5 F3 N2 O -","- C28 H20 F12 N8 O4 -","4","1","","Saunders, Carla; Khaled, Mohammad B.; Weaver, 3rd, Jimmie D; Tantillo, Dean J.","Prediction of <sup>19</sup>F NMR Chemical Shifts for Fluorinated Aromatic Compounds.","The Journal of organic chemistry","2018","83","6","3220","3225","10.1021/acs.joc.8b00104","","","0.71073","MoKα","","0.0514","0.04","","","0.104","0.1124","","","","","","1.056","","","","has coordinates","226650","2020-10-21","18:00:00",""
"4035174","8.2534","0.0004","8.9301","0.0005","11.6896","0.0007","90","","90","","90","","861.57","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,3S,9S,12S)-5,7,10-trioxatricyclo[7.3.0.0^3,12^]dodecan-11-one","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71075","MoKα","","0.0952","0.0793","","","0.2121","0.2285","","","","","","1.103","","","","has coordinates","226651","2020-10-21","18:00:00",""
"4035175","10.1332","0.0006","10.5209","0.0005","20.5621","0.001","77.223","0.003","81.352","0.004","89.909","0.003","2112.41","0.19","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F3 N O -","- C27 H22 F3 N O -","- C108 H88 F12 N4 O4 -","4","2","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","1.54184","CuKα","","0.1818","0.1155","","","0.3068","0.3533","","","","","","1.032","","","","has coordinates","226652","2020-10-21","18:00:00",""
"4035176","15.2253","0.0009","9.1994","0.0006","17.8109","0.001","90","","97.278","0.005","90","","2474.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 N O4 -","- C24 H41 N O4 -","- C96 H164 N4 O16 -","4","1","","Chang, Denghu; Zhao, Rong; Wei, Congyin; Yao, Yuan; Liu, Yang; Shi, Lei","Sulfonamide-Directed Chemo- and Site-Selective Oxidative Halogenation/Amination Using Halogenating Reagents Generated in Situ from Cyclic Diacyl Peroxides.","The Journal of organic chemistry","2018","83","6","3305","3315","10.1021/acs.joc.8b00243","","x-ray","0.71073","MoKα","","0.1381","0.0758","","","0.2066","0.2538","","","","","","1.056","","","","has coordinates,has disorder","226653","2020-10-21","18:00:00",""
"4035177","10.53555","0.00014","16.17984","0.00019","24.4076","0.0003","90","","90","","90","","4160.61","0.09","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0512","0.0454","","","0.1102","0.1169","","","","","","1.059","","","","has coordinates","226654","2020-10-21","18:00:00",""
"4035178","8.02988","0.00012","14.07","0.0002","37.5353","0.0006","90","","90","","90","","4240.75","0.11","171.2","","171.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0509","0.0456","","","0.1163","0.1225","","","","","","1.05","","","","has coordinates","226655","2020-10-21","18:00:00",""
"4035179","5.3633","0.0004","9.1569","0.0012","9.3749","0.001","115.199","0.013","93.554","0.008","98.472","0.009","408.03","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C22 H16 N2 O -","1","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.1148","0.1037","","","0.2701","0.2971","","","","","","1.273","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035180","5.7505","0.0002","9.7182","0.0004","32.0971","0.0015","90","","90","","90","","1793.73","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","1","0.25","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0556","0.0529","","","0.1353","0.1401","","","","","","1.055","","","","has coordinates","226657","2020-10-21","18:00:00",""
"4035181","8.8716","0.0008","9.7308","0.0009","11.2518","0.0011","78.991","0.008","86.805","0.007","68.727","0.008","888.4","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","1","0.5","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0987","0.0821","","","0.2365","0.2597","","","","","","1.065","","","","has coordinates","226658","2020-10-21","18:00:00",""
"4035182","9.5284","0.0005","10.4453","0.0007","10.9147","0.0006","82.831","0.005","88.793","0.005","78.374","0.005","1055.69","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0502","0.0446","","","0.1148","0.1206","","","","","","1.055","","","","has coordinates","226659","2020-10-21","18:00:00",""
"4035183","5.7022","0.0006","9.6372","0.0009","31.486","0.003","90","","90","","90","","1730.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N0.25 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0663","0.0523","","","0.1313","0.1529","","","","","","1.075","","","","has coordinates","226660","2020-10-21","18:00:00",""
"4035184","12.9092","0.0004","5.32654","0.00015","17.0164","0.0005","90","","98.18","0.007","90","","1158.17","0.06","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0397","0.0361","","","0.0949","0.0973","","","","","","1.049","","","","has coordinates","226661","2020-10-21","18:00:00",""
"4035185","8.17797","0.00015","14.6247","0.0003","27.2033","0.0005","90","","90","","90","","3253.52","0.11","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C136 H112 N48 O16 -","8","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0432","0.0367","","","0.0866","0.0897","","","","","","1.034","","","","has coordinates","226662","2020-10-21","18:00:00",""
"4035186","10.37797","0.00019","9.68067","0.00018","20.4861","0.0004","90","","98.126","0.007","90","","2037.49","0.08","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C88 H84 N12 O12 S4 -","4","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0463","0.038","","","0.0906","0.0948","","","","","","1.041","","","","has coordinates","226663","2020-10-21","18:00:00",""
"4035187","19.9132","0.0008","15.647","0.0007","25.9036","0.0009","90","","91.158","0.003","90","","8069.4","0.6","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H66 Br6 N6 O6 -","- C81 H66 Br6 N6 O6 -","- C324 H264 Br24 N24 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1268","0.0697","","","0.1414","0.1662","","","","","","1.012","","","","has coordinates","226664","2020-10-21","18:00:00",""
"4035188","11.0266","0.0004","24.2582","0.0011","26.2224","0.001","90","","90","","90","","7014.1","0.5","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H34 Br6 O6 -","- C63 H34 Br6 O6 -","- C252 H136 Br24 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1645","0.0737","","","0.1499","0.1865","","","","","","0.937","","","","has coordinates","226665","2020-10-21","18:00:00",""
"4035189","12.555","0.002","17.818","0.003","17.84","0.003","73.987","0.004","89.554","0.005","87.329","0.005","3831.8","1.1","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C94.88 H105.54 Cl0.67 O6 -","- C94.88 H105.536 Cl0.672 O6 -","- C189.76 H211.072 Cl1.344 O12 -","2","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1557","0.1305","","","0.3075","0.3188","","","","","","1.904","","","","has coordinates,has disorder","226666","2020-10-21","18:00:00",""
"4035190","24.871","0.0008","16.1571","0.0004","22.4581","0.0007","90","","108.057","0.003","90","","8580.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H67 Cl3 O6 -","- C100 H67 Cl3 O6 -","- C400 H268 Cl12 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1271","0.0745","","","0.1806","0.2121","","","","","","1.043","","","","has coordinates,has disorder","226667","2020-10-21","18:00:00",""
"4035191","8.1049","0.0013","13.229","0.003","18.91","0.005","90","","90","","90","","2027.5","0.8","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl N2 O3 -","- C20 H27 Cl N2 O3 -","- C80 H108 Cl4 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Regioselective and Stereoselective Reductive Aziridinium Ring Cleavage Leading to Azabicyclodecane Architecture: Enantioselective Synthesis of (+)-Subincanadine F.","The Journal of organic chemistry","2018","83","19","12164","12170","10.1021/acs.joc.8b02113","","","1.54178","CuKα","","0.0832","0.0758","","","0.2004","0.2104","","","","","","1.054","","","","has coordinates","226668","2020-10-21","18:00:00",""
"4035192","11.7753","0.0004","14.8277","0.0004","14.2674","0.0004","90","","110.892","0.001","90","","2327.32","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 B N -","- C30 H28 B N -","- C120 H112 B4 N4 -","4","1","","Mellerup, Soren K.; Li, Cally; Wang, Xiang; Wang, Suning","Controlling Isomerization Selectivity in Chiral, Photochromic N,C-Chelate Organoboron Systems with Extended π-Conjugation.","The Journal of organic chemistry","2018","83","19","11970","11977","10.1021/acs.joc.8b01856","","","0.71073","MoKα","","0.0535","0.0494","","","0.1238","0.127","","","","","","1.06","","","","has coordinates","226669","2020-10-21","18:00:00",""
"4035193","9.369","0.003","10.09","0.003","10.992","0.004","66.523","0.008","88.46","0.009","67.367","0.009","869.8","0.5","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C40 H36 N4 O6 -","2","1","","Li, Yazhou; Zhou, Jianhui; Fang, Feifei; Xu, Bin; Liu, Hong; Zhou, Yu","Rhodium(III)-Catalyzed C-H Activation of α-Iminonitriles or α-Imino Esters and Cyclization with Acrylates to 2 H-Isoindoles.","The Journal of organic chemistry","2018","83","19","11736","11746","10.1021/acs.joc.8b01664","","","0.71073","MoKα","","0.0968","0.0613","","","0.1535","0.1816","","","","","","0.961","","","","has coordinates","226670","2020-10-21","18:00:00",""
"4035194","8.2932","0.0016","9.6779","0.0017","10.89","0.002","94.56","0.015","105.319","0.017","101.949","0.016","816.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 F3 N O2 S -","- C17 H16 F3 N O2 S -","- C34 H32 F6 N2 O4 S2 -","2","1","","Liang, Deqiang; Dong, Qishan; Xu, Penghui; Dong, Ying; Li, Weili; Ma, Yinhai","Synthesis of CF<sub>3</sub>CH<sub>2</sub>-Containing Indolines by Transition-Metal-Free Aryltrifluoromethylation of Unactivated Alkenes.","The Journal of organic chemistry","2018","83","19","11978","11986","10.1021/acs.joc.8b01861","","x-ray","1.54184","CuKα","","0.0909","0.0628","","","0.1644","0.1787","","","","","","1.145","","","","has coordinates","226671","2020-10-21","18:00:00",""
"4035195","7.561","0.0005","6.3397","0.0004","27.0124","0.0016","90","","92.236","0.006","90","","1293.84","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C62 H72 O8 -","2","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","","0.71073","MoKα","","0.1171","0.1136","","","0.3013","0.3038","","","","","","1.105","","","","has coordinates","226672","2020-10-21","18:00:00",""
"4035196","7.6058","0.001","9.596","0.0009","25.628","0.003","90","","90","","90","","1870.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","x-ray","0.71073","MoKα","","0.0986","0.0794","","","0.1747","0.1871","","","","","","1.081","","","","has coordinates","226673","2020-10-21","18:00:00",""
"4035197","9.2524","0.0007","11.1911","0.0008","17.8291","0.0013","90","","90","","90","","1846.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","t-Butyl 1-(3aR,5,6,6aS-tetrahydro-4H-pyrrolo[3,4-d]isoxazol-3-yl)-2S-phenylethyl)carbamate","","- C18 H25 N3 O3 -","- C18 H25 N3 O3 -","- C72 H100 N12 O12 -","4","1","","Bucci, Raffaella; Giofré, Sabrina; Clerici, Francesca; Contini, Alessandro; Pinto, Andrea; Erba, Emanuela; Soave, Raffaella; Pellegrino, Sara; Gelmi, Maria Luisa","Tetrahydro-4 H-(pyrrolo[3,4- d]isoxazol-3-yl)methanamine: A Bicyclic Diamino Scaffold Stabilizing Parallel Turn Conformations.","The Journal of organic chemistry","2018","83","19","11493","11501","10.1021/acs.joc.8b01299","","","0.71073","MoKα","","0.1622","0.0504","","","0.1105","0.1546","","","","","","0.955","","","","has coordinates","226674","2020-10-21","18:00:00",""
"4035198","5.1021","0.0001","15.7064","0.0006","22.3341","0.0007","90","","90.038","0.001","90","","1789.76","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.0688","0.0471","","","0.0994","0.1067","","","","","","1.134","","","","has coordinates","226675","2020-10-21","18:00:00",""
"4035199","14.2131","0.0014","15.0872","0.0016","9.4875","0.0008","90","","105.673","0.005","90","","1958.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.1402","0.0696","","","0.1335","0.1597","","","","","","1.03","","","","has coordinates","226676","2020-10-21","18:00:00",""
"4035200","7.7691","0.0002","16.2565","0.0005","15.0511","0.0005","90","","90.104","0.001","90","","1900.93","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.0382","0.0342","","","0.0885","0.0913","","","","","","1.092","","","","has coordinates","226678","2020-10-21","18:00:00",""
"4035201","11.3067","0.0009","9.613","0.0007","23.3153","0.0018","90","","95.179","0.003","90","","2523.8","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O6 S -","- C25 H28 Cl N O6 S -","- C100 H112 Cl4 N4 O24 S4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0933","0.0605","","","0.1903","0.2075","","","","","","1.407","","","","has coordinates","226679","2020-10-21","18:00:00",""
"4035202","9.4708","0.0008","7.4003","0.0006","14.1551","0.0012","90","","95.154","0.003","90","","988.07","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2014/7","","- C22 H20 Cl N3 O3 -","- C22 H20 Cl N3 O3 -","- C44 H40 Cl2 N6 O6 -","2","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0456","0.0387","","","0.0892","0.0921","","","","","","1.006","","","","has coordinates","226680","2020-10-21","18:00:00",""
"4035203","24.087","0.004","8.8775","0.0015","11.5808","0.0019","90","","107.337","0.004","90","","2363.8","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","2014/7","","- C23 H25 Cl N5 O4 -","- C24 H25 Cl N4 O4 -","- C96 H100 Cl4 N16 O16 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0564","0.0396","","","0.0806","0.0859","","","","","","0.965","","","","has coordinates","226681","2020-10-21","18:00:00",""
"4035204","5.3829","0.0004","17.6389","0.0012","21.6279","0.0015","90","","90","","90","","2053.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N O3 -","- C24 H24 Cl N O3 -","- C96 H96 Cl4 N4 O12 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0542","0.0352","","","0.0699","0.0829","","","","","","1.102","","","","has coordinates","226682","2020-10-21","18:00:00",""
"4035205","8.7508","0.0006","7.8977","0.0005","14.1765","0.0011","90","","95.447","0.004","90","","975.33","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Li, Shuang; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Wang, Chao-Ming; Xiao, Jun-An; Chen, Xiao-Qing; Xiang, Hao-Yue; Yang, Hua","Organocatalytic Domino Entry to an Octahydroacridine Scaffold Bearing Three Contiguous Stereocenters.","The Journal of organic chemistry","2018","83","19","12284","12290","10.1021/acs.joc.8b01875","","","0.71073","MoKα","","0.0442","0.0427","","","0.1258","0.1282","","","","","","1.043","","","","has coordinates","226683","2020-10-21","18:00:00",""
"4035206","13.7745","0.0002","9.69517","0.00016","23.1634","0.0004","90","","90","","90","","3093.38","0.09","162.46","0.1","162.46","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","2","","Faderl, Christian; Budde, Simon; Kachkovskyi, Georgiy; Rackl, Daniel; Reiser, Oliver","Visible Light-Mediated Decarboxylation Rearrangement Cascade of ω-Aryl- N-(acyloxy)phthalimides.","The Journal of organic chemistry","2018","83","19","12192","12206","10.1021/acs.joc.8b01538","","","1.54184","CuKα","","0.0582","0.0516","","","0.1525","0.1638","","","","","","1.058","","","","has coordinates,has disorder","226684","2020-10-21","18:00:00",""
"4035207","12.9433","0.0008","25.6688","0.0019","7.8534","0.0005","90","","90","","90","","2609.2","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C32 H31 N3 O2 -","- C32 H31 N3 O2 -","- C128 H124 N12 O8 -","4","1","","Fecková, Michaela; le Poul, Pascal; Guen, Françoise Robin-le; Roisnel, Thierry; Pytela, Oldřich; Klikar, Milan; Bureš, Filip; Achelle, Sylvain","2,4-Distyryl- and 2,4,6-Tristyrylpyrimidines: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","11712","11726","10.1021/acs.joc.8b01653","","x-ray","0.71073","MoKα","","0.0712","0.0559","","","0.1368","0.1435","","","","","","1.092","","","","has coordinates,has disorder","226685","2020-10-21","18:00:00",""
"4035208","8.0486","0.0005","32.6885","0.0018","10.843","0.0006","90","","96.084","0.001","90","","2836.7","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","G03045783.1-1 EtOH/H2O 68863-100","gene382","","- C30 H30 Cl F O5 S -","- C30 H30 Cl F O5 S -","- C120 H120 Cl4 F4 O20 S4 -","4","1","","Savage, Scott; McClory, Andrew; Zhang, Haiming; Cravillion, Theresa; Lim, Ngiap-Kie; Masui, Colin; Robinson, Sarah J.; Han, Chong; Ochs, Christoph; Rege, Pankaj D.; Gosselin, Francis","Synthesis of Selective Estrogen Receptor Degrader GDC-0810 via Stereocontrolled Assembly of a Tetrasubstituted All-Carbon Olefin.","The Journal of organic chemistry","2018","83","19","11571","11576","10.1021/acs.joc.8b01551","","","0.71073","MoKα","","0.0401","0.0347","","","0.0753","0.0788","","","","","","1.074","","","","has coordinates","226686","2020-10-21","18:00:00",""
"4035209","9.9204","0.0007","11.0141","0.0008","25.763","0.002","90","","90","","90","","2815","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0482","0.0366","","","0.0895","0.0947","","","","","","1.045","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035210","10.4555","0.0009","10.4555","0.0009","26.75","0.002","90","","90","","90","","2924.2","0.4","120","","120","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0604","0.059","","","0.1523","0.1535","","","","","","1.162","","","","has coordinates,has disorder","226687","2020-10-21","18:00:00",""
"4035211","13.3642","0.0009","9.6436","0.0006","13.6194","0.0009","90","","114.786","0.002","90","","1593.56","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,7-dicyano-1,9-dinitrodibenzothiophene-S,S-dioxide : tetrahydrofuran","","- C16 H8 N4 O6.5 S -","- C16 H8 N4 O6.5 S -","- C64 H32 N16 O26 S4 -","4","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0791","0.0566","","","0.1134","0.1229","","","","","","1.075","","","","has coordinates,has disorder","226687","2020-10-21","18:00:00",""
"4035212","19.8345","0.001","9.7054","0.0005","17.1644","0.0008","90","","109.942","0.0017","90","","3106","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,9-(N,N'-2,2-diaminoisopropyl)-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C17 H12 N4 O2 S -","- C17 H12 N4 O2 S -","- C136 H96 N32 O16 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0516","0.0408","","","0.1053","0.1106","","","","","","1.055","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035213","7.934","0.003","11.694","0.005","12.083","0.004","98.357","0.007","106.844","0.002","104.871","0.009","1007.4","0.7","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","","Gao, Wen-Chao; Cheng, Yu-Fei; Shang, Yu-Zhu; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Qiao, Yan; Wei, Wen-Long","Copper(II)-Catalyzed Four-Component Oxysulfonylation/Diazenylation: Synthesis of α-Arylhydrazo-β-keto Sulfones.","The Journal of organic chemistry","2018","83","19","11956","11962","10.1021/acs.joc.8b01843","","","0.71073","MoKα","","0.0437","0.0361","","","0.0991","0.1031","","","","","","1.035","","","","has coordinates","226688","2020-10-21","18:00:00",""
"4035214","22.138","0.004","6.7644","0.0008","27.623","0.003","90","","99.718","0.002","90","","4077.2","1","296","2","296.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H22 Se2 Si2 -","- C16 H22 Se2 Si2 -","- C128 H176 Se16 Si16 -","8","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","","0.71073","MoKα","","0.0897","0.0392","","","0.0737","0.0911","","","","","","0.909","","","","has coordinates","226689","2020-10-21","18:00:00",""
"4035215","10.7857","0.0002","14.5659","0.0003","32.0512","0.0007","90","","93.67","0.002","90","","5025.03","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H90 Cl2 Se16 Si8 -","- C81 H90 Cl2 Se16 Si8 -","- C162 H180 Cl4 Se32 Si16 -","2","0.5","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","0.71073","MoKα","","0.0638","0.0409","","","0.0855","0.0948","","","","","","1.019","","","","has coordinates,has disorder","226690","2020-10-21","18:00:00",""
"4035216","6.08389","0.00014","14.5798","0.0003","29.7083","0.0007","90","","90","","90","","2635.18","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C96 H88 S24 Si8 -","4","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","1.54184","CuKα","","0.0922","0.0648","","","0.1603","0.1757","","","","","","1.097","","","","has coordinates","226691","2020-10-21","18:00:00",""
"4035217","43.5409","0.0016","6.07902","0.00015","25.6532","0.001","90","","126.743","0.006","90","","5441","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C192 H176 S16 Se32 Si16 -","8","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","1.54184","CuKα","","0.069","0.0446","","","0.0998","0.1156","","","","","","1.023","","","","has coordinates","226692","2020-10-21","18:00:00",""
"4035218","6.6546","0.0012","12.875","0.002","10.2719","0.0017","90","","97.251","0.003","90","","873","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Se2 Si2 -","- C12 H20 Se2 Si2 -","- C24 H40 Se4 Si4 -","2","0.5","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","","0.71073","MoKα","","0.0478","0.0367","","","0.0921","0.0982","","","","","","1.054","","","","has coordinates","226693","2020-10-21","18:00:00",""
"4035219","7.286","0.0008","8.3926","0.001","12.1427","0.0013","88.21","0.004","86.511","0.004","79.953","0.004","729.61","0.14","132","2","132.55","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C32 H26 N6 O4 S2 -","2","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.0576","0.042","","","0.102","0.1115","","","","","","1.023","","","","has coordinates","226694","2020-10-21","18:00:00",""
"4035220","10.877","0.003","20.729","0.006","21.133","0.006","90","","90","","90","","4765","2","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N3 O2 -","- C28 H27 N3 O2 -","- C224 H216 N24 O16 -","8","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.1409","0.0751","","","0.1544","0.187","","","","","","1.042","","","","has coordinates","226695","2020-10-21","18:00:00",""
"4035221","10.1585","0.0008","5.1082","0.0003","25.137","0.002","90","","100.794","0.003","90","","1281.32","0.16","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H22 -","- C46 H22 -","- C92 H44 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.128","0.0802","","","0.1816","0.204","","","","","","1.115","","","","has coordinates","226696","2020-10-21","18:00:00",""
"4035222","14.0177","0.0005","7.74","0.0003","20.7641","0.0007","90","","90","","90","","2252.84","0.14","100","0.2","100","0.2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0597","0.0493","","","0.1209","0.1281","","","","","","1.053","","","","has coordinates","226697","2020-10-21","18:00:00",""
"4035223","13.718","0.002","28.993","0.004","7.3734","0.0013","90","","97.348","0.005","90","","2908.5","0.8","298","2","298","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.2365","0.1638","","","0.475","0.5031","","","","","","1.666","","","","has coordinates","226698","2020-10-21","18:00:00",""
"4035224","28.518","0.002","3.9214","0.0002","28.75","0.002","90","","111.54","0.003","90","","2990.6","0.3","200","2","200","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C46 H22 Cl4 -","- C46 H22 Cl4 -","- C184 H88 Cl16 -","4","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0895","0.063","","","0.1219","0.1314","","","","","","1.182","","","","has coordinates","226699","2020-10-21","18:00:00",""
"4035225","9.3146","0.0003","14.9831","0.0005","6.5062","0.0002","90","","100.657","0.002","90","","892.35","0.05","100","0.2","100","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0572","0.0429","","","0.1137","0.1268","","","","","","1.045","","","","has coordinates","226700","2020-10-21","18:00:00",""
"4035226","11.996","0.006","3.8892","0.0016","30.77","0.015","90","","95.413","0.016","90","","1429.2","1.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H24 Cl2 -","- C46 H24 Cl2 -","- C92 H48 Cl4 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0675","0.046","","","0.0996","0.1109","","","","","","1.021","","","","has coordinates","226701","2020-10-21","18:00:00",""
"4035227","3.8591","0.0009","15.09","0.004","24.31","0.007","72.301","0.009","89.25","0.009","84.739","0.007","1342.8","0.6","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C46 H24 -","- C46 H24 -","- C92 H48 -","2","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.1012","0.0596","","","0.1261","0.1426","","","","","","1.019","","","","has coordinates","226702","2020-10-21","18:00:00",""
"4035228","22.3394","0.0005","8.2464","0.0002","13.8104","0.0003","90","","98.821","0.002","90","","2514.06","0.1","153","2","153","3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0336","0.0331","","","0.0925","0.0933","","","","","","1.0499","","","","has coordinates","226703","2020-10-21","18:00:00",""
"4035229","7.1755","0.0003","13.5398","0.0004","24.583","0.001","90","","90","","90","","2388.36","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0436","0.0392","","","0.1016","0.1052","","","","","","1.054","","","","has coordinates","226704","2020-10-21","18:00:00",""
"4035230","22.0812","0.0019","22.0812","0.0019","28.205","0.003","90","","90","","120","","11909.7","1.9","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.33 H27.33 Cl F N2 O3 -","- C29.3333 H27.3333 Cl F N2 O3 -","- C528 H492 Cl18 F18 N36 O54 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.197","0.1088","","","0.2583","0.3117","","","","","","1.083","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035231","27.5889","0.0011","27.5889","0.0011","21.9252","0.0008","90","","90","","120","","14452.5","1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31.33 H30.33 Cl2.67 F3 N2 O3.33 -","- C31.3333 H29.6666 Cl2.6667 F3 N2 O3.33333 -","- C564 H533.999 Cl48.0006 F54 N36 O60 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.1016","0.0804","","","0.1826","0.1875","","","","","","1.888","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035232","5.12421","0.00008","18.41","0.0003","24.5471","0.0003","90","","90","","90","","2315.69","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O3 S -","- C27 H26 N2 O3 S -","- C108 H104 N8 O12 S4 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0886","0.0785","","","0.219","0.2271","","","","","","1.058","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035233","10.9296","0.0002","16.2586","0.0004","14.4963","0.0003","90","","96.6854","0.0012","90","","2558.48","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C108 H128 N8 O12 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0696","0.0603","","","0.1881","0.1992","","","","","","1.211","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035234","8.885","0.0005","15.6428","0.0009","15.7705","0.0011","90","","90","","90","","2191.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.066","0.0533","","","0.1241","0.1305","","","","","","1.055","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035235","11.88","0.003","18.397","0.004","13.284","0.003","90","","111.478","0.009","90","","2701.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0586","0.0513","","","0.1501","0.1578","","","","","","1.07","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035236","5.3292","0.0003","20.4942","0.0008","21.4516","0.0012","90","","91.853","0.005","90","","2341.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.0584","0.0515","","","0.1343","0.1384","","","","","","1.059","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035237","10.9767","0.0006","28.08","0.0014","15.6928","0.0008","90","","109.208","0.0013","90","","4567.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C200 H224 N16 O24 -","8","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0785","0.0653","","","0.2013","0.2137","","","","","","1.099","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035238","11.156","0.002","11.714","0.002","21.91","0.004","85.73","0.03","80.75","0.03","73.09","0.03","2702.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.25 H30.5 Cl0.5 N2 O4 -","- C30.25 H30.5 Cl0.5 N2 O4 -","- C121 H122 Cl2 N8 O16 -","4","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.0827","0.066","","","0.1681","0.1784","","","","","","1.026","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035239","22.7789","0.0015","22.7789","0.0015","34.781","0.003","90","","90","","90","","18047","2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25.75 H24.5 N3 O2.25 -","- C25.75 H24.5 N3 O2.25 -","- C824 H784 N96 O72 -","32","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.1994","0.0688","","","0.1124","0.1528","","","","","","0.802","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035240","6.958","0.002","14.801","0.005","8.546","0.002","90","","103.69","0.03","90","","855.1","0.4","293","2","293","2","","","101","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","7-methyl-2,3-dihydro-1H-pyrrolo[1,2-d][1,4]diazepin-4(5H)-one","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Zelina, Elena Y.; Nevolina, Tatyana A.; Sorotskaja, Ludmila N.; Skvortsov, Dmitry A.; Trushkov, Igor V.; Uchuskin, Maxim G.","A General Synthetic Route to Isomeric Pyrrolo[1,2- x][1,4]diazepinones.","The Journal of organic chemistry","2018","83","19","11747","11757","10.1021/acs.joc.8b01669","","x-ray","0.71073","MoKα","","0.0627","0.048","","","0.1255","0.1376","","","","","","1.082","","","","has coordinates","226706","2020-10-21","18:00:00",""
"4035241","8.797","0.014","9.714","0.015","11.666","0.018","112.83","0.02","99.88","0.02","102.02","0.02","863","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Mandal, Sanjay K.; Sakhuja, Rajeev","Additive-Driven Rhodium-Catalyzed [4+1]/[4+2] Annulations of N-Arylphthalazine-1,4-dione with α-Diazo Carbonyl Compounds.","The Journal of organic chemistry","2018","83","19","11661","11673","10.1021/acs.joc.8b01630","","","0.71073","MoKα","","0.0553","0.0446","","","0.1323","0.1418","","","","","","1.05","","","","has coordinates","226707","2020-10-21","18:00:00",""
"4035242","8.4553","0.0015","21.077","0.004","8.8999","0.0015","90","","96.762","0.003","90","","1575","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O5 -","- C18 H13 F N2 O5 -","- C72 H52 F4 N8 O20 -","4","1","","Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Mandal, Sanjay K.; Sakhuja, Rajeev","Additive-Driven Rhodium-Catalyzed [4+1]/[4+2] Annulations of N-Arylphthalazine-1,4-dione with α-Diazo Carbonyl Compounds.","The Journal of organic chemistry","2018","83","19","11661","11673","10.1021/acs.joc.8b01630","","","0.71073","MoKα","","0.0738","0.0541","","","0.1527","0.1775","","","","","","1.087","","","","has coordinates","226708","2020-10-21","18:00:00",""
"4035243","7.4942","0.0011","8.3234","0.0013","13.895","0.002","81.582","0.014","74.877","0.014","75.943","0.013","808.5","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H13 B Cl F2 N3 O S -","- C16 H13 B Cl F2 N3 O S -","- C32 H26 B2 Cl2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0698","0.064","","","0.1807","0.1907","","","","","","1.08","","","","has coordinates","226709","2020-10-21","18:00:00",""
"4035244","6.7366","0.0006","10.6037","0.0009","11.8737","0.0009","103.762","0.007","94.853","0.007","97.745","0.007","810.29","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 B F6 N3 O S -","- C16 H10 B F6 N3 O S -","- C32 H20 B2 F12 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0958","0.0867","","","0.2662","0.2762","","","","","","1.11","","","","has coordinates","226710","2020-10-21","18:00:00",""
"4035245","10.9387","0.0005","13.5166","0.0007","21.8934","0.0015","90","","90","","90","","3237","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H16 B F2 N3 O2 S -","- C17 H16 B F2 N3 O2 S -","- C136 H128 B8 F16 N24 O16 S8 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0876","0.0617","","","0.1539","0.1666","","","","","","1.05","","","","has coordinates","226711","2020-10-21","18:00:00",""
"4035246","7.5158","0.0005","9.9639","0.0006","11.753","0.001","97.417","0.006","103.743","0.007","93.605","0.005","843.78","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 B F5 N3 O S -","- C17 H13 B F5 N3 O S -","- C34 H26 B2 F10 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0306","0.029","","","0.0772","0.0784","","","","","","1.051","","","","has coordinates","226712","2020-10-21","18:00:00",""
"4035247","7.908","0.0001","7.908","0.0001","25.1636","0.0005","90","","90","","90","","1573.64","0.04","100","2","100","2","","","","","","","","7","P 41","P 4w","76","","","","- C16 H13 B F3 N3 O S -","- C16 H13 B F3 N3 O S -","- C64 H52 B4 F12 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0589","0.056","","","0.1403","0.1424","","","","","","1.099","","","","has coordinates","226713","2020-10-21","18:00:00",""
"4035248","17.2717","0.0008","10.711","0.0005","8.2114","0.0005","90","","96.983","0.004","90","","1507.82","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 B F2 N3 O S -","- C16 H14 B F2 N3 O S -","- C64 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.1283","0.1052","","","0.2943","0.3059","","","","","","1.27","","","","has coordinates","226714","2020-10-21","18:00:00",""
"4035249","10.9704","0.0003","6.5342","0.0002","23.6337","0.0007","90","","101.584","0.002","90","","1659.62","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1-(9-phenyl-4-oxa-1,3-diaza-bicyclo[3.3.1]non-3-yl)-ethanone","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Berti, Francesco; Menichetti, Andrea; Favero, Lucilla; Marchetti, Fabio; Pineschi, Mauro","Regio- and Stereodivergent Allylic Reductions of Bicyclic Piperidine Enecarbamate Derivatives.","The Journal of organic chemistry","2018","83","19","12221","12228","10.1021/acs.joc.8b01601","","","0.71073","MoKα","","0.0682","0.0451","","","0.1249","0.1427","","","","","","1.015","","","","has coordinates","226715","2020-10-21","18:00:00",""
"4035250","9.6314","0.0004","13","0.0007","13.9519","0.0008","90","","90","","90","","1746.89","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl N O2 -","- C16 H24 Cl N O2 -","- C64 H96 Cl4 N4 O8 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.068","0.0425","","","0.0985","0.1183","","","","","","1.065","","","","has coordinates","226716","2020-10-21","18:00:00",""
"4035251","17.6648","0.0006","5.6836","0.0002","18.7544","0.0009","90","","115.841","0.002","90","","1694.66","0.12","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.046","0.0341","","","0.0709","0.0761","","","","","","1.042","","","","has coordinates","226717","2020-10-21","18:00:00",""
"4035252","8.0971","0.0016","11.752","0.002","13.384","0.003","71.101","0.003","80.004","0.003","77.429","0.003","1168.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H19 Cl F3 I N2 O3 S -","- C23 H19 Cl F3 I N2 O3 S -","- C46 H38 Cl2 F6 I2 N4 O6 S2 -","2","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.079","0.0614","","","0.1568","0.17","","","","","","1.011","","","","has coordinates,has disorder","226718","2020-10-21","18:00:00",""
"4035253","33.109","0.0015","10.3694","0.0005","5.8127","0.0003","90","","90","","90","","1995.62","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H19 I N2 O5 S -","- C20 H19 I N2 O5 S -","- C80 H76 I4 N8 O20 S4 -","4","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.042","0.0343","","","0.0606","0.0625","","","","","","1.136","","","","has coordinates","226719","2020-10-21","18:00:00",""
"4035254","7.6828","0.0005","13.3501","0.001","13.1813","0.0009","90","","103.388","0.002","90","","1315.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 I N3 O3 -","- C13 H10 I N3 O3 -","- C52 H40 I4 N12 O12 -","4","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.0354","0.0265","","","0.0563","0.0595","","","","","","1.043","","","","has coordinates","226720","2020-10-21","18:00:00",""
"4035255","7.98332","0.00012","12.0224","0.00018","13.58838","0.00015","71.1374","0.0012","75.6257","0.0011","73.3462","0.0013","1164.84","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 F3 I N3 O5 S -","- C23 H19 F3 I N3 O5 S -","- C46 H38 F6 I2 N6 O10 S2 -","2","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.7107","MoKα","","0.033","0.0296","","","0.0715","0.0725","","","","","","1.196","","","","has coordinates,has disorder","226721","2020-10-21","18:00:00",""
"4035256","5.8934","0.0001","9.8741","0.0002","17.8348","0.0003","90","","90","","90","","1037.84","0.03","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Kim, Hyeong Rae; Achary, Raghavendra; Lee, Hyeon-Kyu","DBU-Promoted Dynamic Kinetic Resolution in Rh-Catalyzed Asymmetric Transfer Hydrogenation of 5-Alkyl Cyclic Sulfamidate Imines: Stereoselective Synthesis of Functionalized 1,2-Amino Alcohols.","The Journal of organic chemistry","2018","83","19","11987","11999","10.1021/acs.joc.8b01892","","","0.71073","MoKα","","0.0388","0.0351","","","0.0975","0.1005","","","","","","1.009","","","","has coordinates","226722","2020-10-21","18:00:00",""
"4035257","8.78244","0.00012","10.0199","0.00014","18.3347","0.0002","90","","90","","90","","1613.44","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Ogawa, Yuya; Kato, Marina; Sasaki, Ikuo; Sugimura, Hideyuki","Total Synthesis of (+)-Pyrenolide D.","The Journal of organic chemistry","2018","83","19","12315","12319","10.1021/acs.joc.8b02003","","","1.54184","CuKα","","0.0329","0.0303","","","0.0865","0.0983","","","","","","1.136","","","","has coordinates","226723","2020-10-21","18:00:00",""
"4035258","5.9955","0.0001","13.9616","0.0002","27.0117","0.0005","90","","90","","90","","2261.06","0.06","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl N3 O6 S -","- C21 H26 Cl N3 O6 S -","- C84 H104 Cl4 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0189","0.0188","","","0.0509","0.0512","","","","","","1.054","","","","has coordinates","226724","2020-10-21","18:00:00",""
"4035259","7.4329","0.0002","14.0813","0.0004","18.3821","0.0005","90","","90","","90","","1923.96","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N3 O6 S -","- C17 H25 N3 O6 S -","- C68 H100 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0211","0.0207","","","0.0545","0.0552","","","","","","1.051","","","","has coordinates","226725","2020-10-21","18:00:00",""
"4035260","8.6172","0.0002","11.8985","0.0004","27.2367","0.0008","90","","90","","90","","2792.63","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O8 S -","- C26 H33 N3 O8 S -","- C104 H132 N12 O32 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.021","0.0208","","","0.0561","0.0562","","","","","","1.055","","","","has coordinates","226726","2020-10-21","18:00:00",""
"4035261","12.5226","0.0003","12.7446","0.0003","10.81","0.0002","90","","107.865","0.002","90","","1642.04","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0485","0.0463","","","0.125","0.1285","","","","","","1.029","","","","has coordinates","226727","2020-10-21","18:00:00",""
"4035262","8.6966","0.0002","12.4116","0.0004","21.1857","0.0007","90","","96.602","0.003","90","","2271.59","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","2","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.078","0.0568","","","0.1492","0.1637","","","","","","1.035","","","","has coordinates","226728","2020-10-21","18:00:00",""
"4035263","10.2371","0.0007","12.0551","0.0008","12.5051","0.0009","93.572","0.006","105.062","0.006","99.112","0.006","1462.73","0.18","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0681","0.0459","","","0.104","0.1202","","","","","","1.036","","","","has coordinates","226729","2020-10-21","18:00:00",""
"4035264","8.8038","0.0008","12.8773","0.0009","11.2318","0.001","90","","109.578","0.01","90","","1199.72","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0488","0.0394","","","0.099","0.1069","","","","","","1.039","","","","has coordinates","226730","2020-10-21","18:00:00",""
"4035265","7.0538","0.0007","8.4543","0.0007","8.3005","0.001","90","","99.725","0.01","90","","487.89","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0471","0.038","","","0.0747","0.0806","","","","","","1.093","","","","has coordinates","226731","2020-10-21","18:00:00",""
"4035266","4.0072","0.0001","22.2268","0.0005","12.2592","0.0003","90","","95.112","0.002","90","","1087.55","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0537","0.0521","","","0.1417","0.1441","","","","","","1.04","","","","has coordinates","226732","2020-10-21","18:00:00",""
"4035267","6.7283","0.0001","9.5441","0.0002","15.1689","0.0004","90","","90","","90","","974.08","0.04","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0392","0.0383","","","0.1001","0.1021","","","","","","1.05","","","","has coordinates","226733","2020-10-21","18:00:00",""
"4035268","13.9326","0.0003","31.3218","0.0006","7.6013","0.0001","90","","98.27","0.002","90","","3282.67","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C156 H180 N12 O12 -","12","3","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0739","0.0576","","","0.1525","0.1634","","","","","","1.065","","","","has coordinates,has disorder","226734","2020-10-21","18:00:00",""
"4035269","9.3856","0.0003","12.211","0.0003","12.1822","0.0004","90","","108.645","0.004","90","","1322.9","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0872","0.0822","","","0.2368","0.2436","","","","","","1.058","","","","has coordinates,has disorder","226735","2020-10-21","18:00:00",""
"4035270","11.0667","0.0003","10.0284","0.0002","14.017","0.0003","90","","112.696","0.003","90","","1435.17","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0507","0.0466","","","0.1276","0.1315","","","","","","1.059","","","","has coordinates","226736","2020-10-21","18:00:00",""
"4035271","14.578","0.0004","12.8873","0.0003","23.6203","0.0006","90","","103.735","0.0012","90","","4310.68","0.19","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C232 H200 N8 O16 -","8","2","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.1786","0.0982","","","0.2299","0.3115","","","","","","0.924","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035272","20.435","0.0004","9.87597","0.00018","22.7727","0.0004","90","","90","","90","","4595.88","0.15","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C232 H216 N8 O24 -","8","1","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.1764","0.1193","","","0.271","0.364","","","","","","1.138","","","","has coordinates","226738","2020-10-21","18:00:00",""
"4035273","5.53904","0.00013","21.578","0.0005","14.5887","0.0004","90","","92.1946","0.0013","90","","1742.38","0.07","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.069","0.0452","","","0.1033","0.1198","","","","","","1.083","","","","has coordinates","226739","2020-10-21","18:00:00",""
"4035274","6.8682","0.0002","9.621","0.0004","18.8039","0.0008","90","","90","","90","","1242.54","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Fang, Lizhen; Zhao, Fangfei; Hu, Shuyu; Han, Lili; Hu, Xiaojing; Wang, Mingyong; Sun, Qianqian; Wu, Huipan","Dynamic Kinetic Resolution for Construction of Three Transannular Stereocenters of Dihydrobenzofuranols.","The Journal of organic chemistry","2018","83","19","12213","12220","10.1021/acs.joc.8b01613","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.0994","0.1024","","","","","","1.047","","","","has coordinates","226740","2020-10-21","18:00:00",""
"4035275","8.4116","0.0003","10.4562","0.0005","10.4805","0.0005","110.835","0.004","102.211","0.004","92.54","0.004","834.78","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N2 O P -","- C20 H15 N2 O P -","- C40 H30 N4 O2 P2 -","2","1","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","0.71073","MoKα","","0.0381","0.0346","","","0.0879","0.0898","","","","","","1.0501","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035276","8.6441","0.0002","14.53","0.0003","15.1708","0.0003","75.454","0.002","77.788","0.002","89.162","0.002","1801.13","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H35 N4 O4.5 P2 -","- C42 H35 N4 O4.5 P2 -","- C84 H70 N8 O9 P4 -","2","1","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","1.54184","CuKα","","0.0519","0.0406","","","0.1012","0.1069","","","","","","1.054","","","","has coordinates","226742","2020-10-21","18:00:00",""
"4035277","17.2306","0.0004","12.4787","0.0004","17.0064","0.0005","90","","90.4","0.003","90","","3656.55","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N2 O2 P -","- C21 H17 N2 O2 P -","- C168 H136 N16 O16 P8 -","8","2","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","1.54184","CuKα","","0.0752","0.057","","","0.1502","0.1662","","","","","","1.026","","","","has coordinates","226743","2020-10-21","18:00:00",""
"4035278","5.97007","0.00013","10.7499","0.0003","14.3987","0.0004","81.279","0.002","84.444","0.002","84.681","0.002","906.24","0.04","295.99","0.1","295.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C48 H34 N2 O6 -","2","1","","Guo, Shenghai; Sun, Lincong; Wang, Fang; Zhang, Xinying; Fan, Xuesen","Rh(III)-Catalyzed Oxidative Annulation of Isoquinolones with Diazoketoesters Featuring an in Situ Deacylation: Synthesis of Isoindoloisoquinolones and Their Transformation to Rosettacin Analogues.","The Journal of organic chemistry","2018","83","19","12034","12043","10.1021/acs.joc.8b01982","","x-ray","1.54184","CuKα","","0.049","0.0464","","","0.1211","0.1232","","","","","","1.044","","","","has coordinates","226744","2020-10-21","18:00:00",""
"4035279","10.1424","0.0012","10.9573","0.0013","19.058","0.002","90","","90","","90","","2118","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl F3 N2 O3 -","- C20 H20 Cl F3 N2 O3 -","- C80 H80 Cl4 F12 N8 O12 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0349","0.033","","","0.0865","0.0885","","","","","","1.028","","","","has coordinates","226745","2020-10-21","18:00:00",""
"4035280","28.603","0.007","8.1356","0.0019","10.639","0.002","90","","107.989","0.003","90","","2354.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H22 Br F3 N2 O5 -","- C22 H22 Br F3 N2 O5 -","- C88 H88 Br4 F12 N8 O20 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0634","0.0394","","","0.0937","0.1058","","","","","","1.008","","","","has coordinates","226746","2020-10-21","18:00:00",""
"4035281","9.3652","0.0017","10.803","0.002","11.038","0.002","90","","102.554","0.002","90","","1090","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 Br F2 N2 O3 -","- C23 H21 Br F2 N2 O3 -","- C46 H42 Br2 F4 N4 O6 -","2","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0645","0.0441","","","0.11","0.1223","","","","","","1.011","","","","has coordinates","226747","2020-10-21","18:00:00",""
"4035282","20.0368","0.0003","20.0368","0.0003","12.7561","0.0002","90","","90","","120","","4435.12","0.12","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C168 H198 N6 O42 -","6","1","","Zhou, Ming; Zhou, Jia; Liu, Junjun; Liang, Jing-Jing; Peng, Xiao-Gang; Duan, Fang-Fang; Ruan, Han-Li","Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus.","The Journal of organic chemistry","2018","83","19","12122","12128","10.1021/acs.joc.8b02089","","","1.54178","CuKα","","0.0812","0.076","","","0.1947","0.2023","","","","","","0.976","","","","has coordinates,has disorder","226748","2020-10-21","18:00:00",""
"4035283","28.146","0.01","28.146","0.01","9.275","0.007","90","","90","","120","","6363","6","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C306 H198 Cl18 N36 -","18","1","","Wang, Zi-Xuan; Xiang, Jia-Chen; Cheng, Yan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Direct Biomimetic Synthesis of β-Carboline Alkaloids from Two Amino Acids.","The Journal of organic chemistry","2018","83","19","12247","12254","10.1021/acs.joc.8b01668","","","0.71073","MoKα","","0.0952","0.0534","","","0.1543","0.1802","","","","","","1.026","","","","has coordinates","226749","2020-10-21","18:00:00",""
"4035284","9.2983","0.0019","9.5365","0.0019","10.425","0.002","107.87","0.03","104.21","0.03","109.44","0.03","764.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C36 H30 Br2 O4 -","2","1","","Qi, Chaorong; Peng, Youbin; Wang, Lu; Ren, Yanwei; Jiang, Huanfeng","Copper-Catalyzed [2 + 3] Cyclization of α-Hydroxyl Ketones and Arylacetonitriles: Access to Multisubstituted Butenolides and Oxazoles.","The Journal of organic chemistry","2018","83","19","11926","11935","10.1021/acs.joc.8b01822","","","0.71073","MoKα","","0.088","0.0558","","","0.1499","0.1873","","","","","","1.005","","","","has coordinates","226750","2020-10-21","18:00:00",""
"4035285","8.7532","0.0003","9.7766","0.0003","11.3827","0.0003","90","","90","","90","","974.09","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F2 N O -","- C11 H11 F2 N O -","- C44 H44 F8 N4 O4 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0361","0.0327","","","0.0801","0.0827","","","","","","1.071","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035286","6.9994","0.0003","10.6106","0.0005","7.0797","0.0003","90","","99.157","0.004","90","","519.09","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H9 F2 N O3 -","- C11 H9 F2 N O3 -","- C22 H18 F4 N2 O6 -","2","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0328","0.0309","","","0.0767","0.0784","","","","","","1.066","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035287","6.9511","0.0002","14.8231","0.0006","18.5823","0.0007","90","","90","","90","","1914.66","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F2 N2 O4 -","- C21 H18 F2 N2 O4 -","- C84 H72 F8 N8 O16 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0619","0.054","","","0.1246","0.1341","","","","","","1.104","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035288","8.1579","0.0007","9.1776","0.0008","12.6068","0.0007","89.277","0.006","80.133","0.006","68.721","0.008","865.25","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 F3 N2 O2 -","- C20 H17 F3 N2 O2 -","- C40 H34 F6 N4 O4 -","2","1","","Koronatov, Alexander N.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Ring Expansion of Pyrazoles with Diazocarbonyl Compounds as a Method for the Preparation of 1,2-Dihydropyrimidines.","The Journal of organic chemistry","2018","83","16","9210","9219","10.1021/acs.joc.8b01228","","","0.71073","MoKα","","0.0479","0.0399","","","0.0949","0.1025","","","","","","1.029","","","","has coordinates","226752","2020-10-21","18:00:00",""
"4035289","8.3394","0.0007","8.791","0.0007","22.1495","0.0018","90","","90","","90","","1623.8","0.2","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","DeForest, Jacob C.; Samame, Renzo A.; Suryn, Gregory; Burtea, Alexander; Rychnovsky, Scott D.","Second-Generation Synthesis of (+)-Fastigiatine Inspired by Conformational Studies.","The Journal of organic chemistry","2018","83","16","8914","8925","10.1021/acs.joc.8b01144","","","0.71073","MoKα","","0.0363","0.0334","","","0.0839","0.0865","","","","","","1.048","","","","has coordinates","226753","2020-10-21","18:00:00",""
"4035290","4.957","0.0008","14.3567","0.0019","19.457","0.003","90","","90","","90","","1384.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F N O2 -","- C18 H11 F N O2 -","- C72 H44 F4 N4 O8 -","4","1","","Choudhary, Sachin; Pawar, Amol Prakash; Yadav, Jyothi; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","One-Pot Synthesis of Chiral Tetracyclic Dibenzo[ b, f][1,4]oxazepine-Fused 1,2-Dihydropyridines (DHPs) under Metal-Free Conditions.","The Journal of organic chemistry","2018","83","16","9231","9239","10.1021/acs.joc.8b01232","","","0.71073","MoKα","","0.226","0.1279","","","0.2552","0.323","","","","","","1.057","","","","has coordinates","226754","2020-10-21","18:00:00",""
"4035291","8.5723","0.0005","7.0541","0.0004","10.5423","0.0005","90","","103.424","0.006","90","","620.07","0.06","298.2","","298.2","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H14 N6 -","- C12 H14 N6 -","- C24 H28 N12 -","2","0.5","","Pathare, Ramdas S.; Ansari, Arshad J.; Verma, Sarika; Maurya, Anand; Maurya, Antim K.; Agnihotri, Vijai K.; Sharon, Ashoke; Pardasani, Ram T.; Sawant, Devesh M.","Sequential Pd(0)/Fe(III) Catalyzed Azide-Isocyanide Coupling/Cyclization Reaction: One-Pot Synthesis of Aminotetrazoles.","The Journal of organic chemistry","2018","83","16","9530","9537","10.1021/acs.joc.8b01261","","x-ray","0.71073","MoKα","","0.1123","0.0708","","","0.1991","0.2566","","","","","","1.044","","","","has coordinates,has disorder","226755","2020-10-21","18:00:00",""
"4035292","12.4879","0.0008","9.0357","0.0005","11.6782","0.0008","90","","106.091","0.007","90","","1266.11","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrazol","N-(tert-butyl)-1-(2-chlorophenyl)-1H-tetrazol-5-amine","","- C11 H14 Cl N5 -","- C11 H14 Cl N5 -","- C44 H56 Cl4 N20 -","4","1","","Pathare, Ramdas S.; Ansari, Arshad J.; Verma, Sarika; Maurya, Anand; Maurya, Antim K.; Agnihotri, Vijai K.; Sharon, Ashoke; Pardasani, Ram T.; Sawant, Devesh M.","Sequential Pd(0)/Fe(III) Catalyzed Azide-Isocyanide Coupling/Cyclization Reaction: One-Pot Synthesis of Aminotetrazoles.","The Journal of organic chemistry","2018","83","16","9530","9537","10.1021/acs.joc.8b01261","","","0.71073","MoKα","","0.0524","0.0414","","","0.1027","0.1103","","","","","","1.044","","","","has coordinates","226756","2020-10-21","18:00:00",""
"4035293","10.9158","0.0004","12.3528","0.0004","13.1488","0.0005","96.328","0.003","104.212","0.003","92.839","0.003","1702.85","0.11","139.3","0.3","139.3","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 B F2 N2 -","- C44 H31 B F2 N2 -","- C88 H62 B2 F4 N4 -","2","1","","Yang, Xiuguang; Jiang, Linfeng; Yang, Mufan; Zhang, Huaxing; Lan, Jingbo; Zhou, Fulin; Chen, Xingyu; Wu, Di; You, Jingsong","Pd-Catalyzed Direct C-H Functionalization/Annulation of BODIPYs with Alkynes to Access Unsymmetrical Benzo[ b]-Fused BODIPYs: Discovery of Lysosome-Targeted Turn-On Fluorescent Probes.","The Journal of organic chemistry","2018","83","16","9538","9546","10.1021/acs.joc.8b01239","","x-ray","1.54184","CuKα","","0.0616","0.0536","","","0.1506","0.16","","","","","","1.028","","","","has coordinates","226757","2020-10-21","18:00:00",""
"4035294","6.817","0.004","7.077","0.004","15.985","0.009","90","","101.96","0.007","90","","754.4","0.7","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N5 O3 -","- C16 H15 N5 O3 -","- C32 H30 N10 O6 -","2","1","","Bala, Saikat; Liao, Jen-Yu; Zhang, Li; Tran, Chantel N.; Chim, Nicholas; Chaput, John C.","Synthesis of 2'-Deoxy-α-l-threofuranosyl Nucleoside Triphosphates.","The Journal of organic chemistry","2018","83","16","8840","8850","10.1021/acs.joc.8b00875","","","0.71073","MoKα","","0.0324","0.0311","","","0.0791","0.0801","","","","","","1.048","","","","has coordinates","226758","2020-10-21","18:00:00",""
"4035295","18.3046","0.0018","13.3125","0.0013","4.6946","0.0005","90","","90","","90","","1144","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Festa, Alexey A.; Zalte, Rajesh R.; Golantsov, Nikita E.; Varlamov, Alexey V.; Van der Eycken, Erik V.; Voskressensky, Leonid G.","DBU-Catalyzed Alkyne-Imidate Cyclization toward 1-Alkoxypyrazino[1,2- a]indole Synthesis.","The Journal of organic chemistry","2018","83","16","9305","9311","10.1021/acs.joc.8b01279","","","0.71073","MoKα","","0.0595","0.0456","","","0.1009","0.1097","","","","","","1.033","","","","has coordinates","226759","2020-10-21","18:00:00",""
"4035296","11.4544","0.0002","9.3869","0.0002","12.7713","0.0003","90","","115.08","0.001","90","","1243.72","0.05","302","2","301.72","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N3 O2 -","- C30 H27 N3 O2 -","- C60 H54 N6 O4 -","2","1","","Li, Can; Xu, Dan-Ni; Ma, Chun; Mei, Guang-Jian; Shi, Feng","Diastereo- and Enantioselective Construction of Dihydrobenzo[ e]indole Scaffolds via Catalytic Asymmetric [3 + 2] Cycloannulations.","The Journal of organic chemistry","2018","83","16","9190","9200","10.1021/acs.joc.8b01217","","","1.34139","GaKα","","0.0576","0.0491","","","0.106","0.1128","","","","","","1.1","","","","has coordinates,has disorder","226760","2020-10-21","18:00:00",""
"4035297","15.4128","0.0008","15.3848","0.0008","16.322","0.0008","90","","111.557","0.002","90","","3599.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H12 B2 F18 O S4 -","- C34 H12 B2 F18 O S4 -","- C136 H48 B8 F72 O4 S16 -","4","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0482","0.0408","","","0.0998","0.1059","","","","","","1.031","","","","has coordinates,has disorder","226761","2020-10-21","18:00:00",""
"4035298","9.2316","0.0003","24.672","0.0008","32.5936","0.001","90","","90","","90","","7423.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H16 B2 F18 O S2 -","- C38 H16 B2 F18 O S2 -","- C304 H128 B16 F144 O8 S16 -","8","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0642","0.0526","","","0.1409","0.1534","","","","","","1.028","","","","has coordinates,has disorder","226762","2020-10-21","18:00:00",""
"4035299","11.7222","0.0005","15.869","0.0006","17.8469","0.0007","90","","107.107","0.001","90","","3173","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H6 B2 Br2 F18 O S2 -","- C26 H6 B2 Br2 F18 O S2 -","- C104 H24 B8 Br8 F72 O4 S8 -","4","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0719","0.048","","","0.115","0.1329","","","","","","1.02","","","","has coordinates,has disorder","226763","2020-10-21","18:00:00",""
"4035300","9.918","0.0004","9.8167","0.0004","12.7446","0.0005","90","","99.023","0.002","90","","1225.49","0.09","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl2 F6 N3 O2 S -","- C20 H23 Cl2 F6 N3 O2 S -","- C40 H46 Cl4 F12 N6 O4 S2 -","2","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0514","0.0494","","","0.1448","0.1465","","","","","","1.047","","","","has coordinates,has disorder","226765","2020-10-21","18:00:00",""
"4035301","12.9162","0.0004","31.0699","0.001","5.8565","0.0002","90","","90","","90","","2350.24","0.13","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C19 H22 Cl F6 N3 O2 S -","- C19 H22 Cl F6 N3 O2 S -","- C76 H88 Cl4 F24 N12 O8 S4 -","4","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0599","0.0554","","","0.1344","0.1369","","","","","","1.15","","","","has coordinates","226765","2020-10-21","18:00:00",""
"4035302","15.9861","0.0005","22.1765","0.0007","22.9883","0.0008","90","","98.546","0.003","90","","8059.2","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H105 N4 O4 Pd2 -","- C91 H105 N4 O4 Pd2 -","- C364 H420 N16 O16 Pd8 -","4","1","","P, Sreejyothi; Sau, Samaresh Chandra; Vardhanapu, Pavan K.; Mandal, Swadhin K.","Halo-Bridged Abnormal NHC Palladium(II) Dimer for Catalytic Dehydrogenative Cross-Coupling Reactions of Heteroarenes.","The Journal of organic chemistry","2018","83","16","9403","9411","10.1021/acs.joc.8b01053","","","0.71073","MoKα","","0.1605","0.0708","","","0.158","0.2138","","","","","","1.04","","","","has coordinates","226766","2020-10-21","18:00:00",""
"4035303","9.6495","0.0003","15.4042","0.0004","22.5104","0.0006","107.095","0.002","99.206","0.002","98.222","0.002","3092.28","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O6 -","- C17 H15 N O6 -","- C136 H120 N8 O48 -","8","4","","Satham, Lakshminarayana; Namboothiri, Irishi N. N.","(3 + 3) Annulation of Nitroallylic Acetates with Stabilized Sulfur Ylides for the Synthesis of 2-Aryl Terephthalates.","The Journal of organic chemistry","2018","83","16","9471","9477","10.1021/acs.joc.8b00917","","x-ray","0.71073","MoKα","","0.0816","0.0537","","","0.1593","0.193","","","","","","1.043","","","","has coordinates","226767","2020-10-21","18:00:00",""
"4035304","6.463","0.004","25.511","0.011","15.188","0.008","90","","98.83","0.03","90","","2474","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl6 N2 O3 -","- C23 H22 Cl6 N2 O3 -","- C92 H88 Cl24 N8 O12 -","4","1","","Regar, Ramprasad; Mishra, Ruchika; Mondal, Pradip Kumar; Sankar, Jeyaraman","Metal-free Annulation at the Ortho- and Bay-Positions of Perylene Bisimide Leading to Lateral π-Extension with Strong NIR Absorption.","The Journal of organic chemistry","2018","83","16","9547","9552","10.1021/acs.joc.8b01303","","","0.71073","MoKα","","0.27","0.0997","","","0.1518","0.1999","","","","","","0.999","","","","has coordinates","226768","2020-10-21","18:00:00",""
"4035305","14.6326","0.001","15.7476","0.0011","17.794","0.0014","103.712","0.004","97.16","0.004","109.753","0.003","3653.8","0.5","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Cl2 N4 O4 -","- C44 H44 Cl2 N4 O4 -","- C176 H176 Cl8 N16 O16 -","4","2","","Regar, Ramprasad; Mishra, Ruchika; Mondal, Pradip Kumar; Sankar, Jeyaraman","Metal-free Annulation at the Ortho- and Bay-Positions of Perylene Bisimide Leading to Lateral π-Extension with Strong NIR Absorption.","The Journal of organic chemistry","2018","83","16","9547","9552","10.1021/acs.joc.8b01303","","","0.71073","MoKα","","0.1817","0.1047","","","0.2466","0.2772","","","","","","1.06","","","","has coordinates","226769","2020-10-21","18:00:00",""
"4035306","7.3093","0.0015","8.79","0.0018","10.723","0.002","104.2","0.03","97.61","0.03","94.71","0.03","657.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.057","0.0429","","","0.0625","0.0631","","","","","","2.94","","","","has coordinates","226770","2020-10-21","18:00:00",""
"4035307","8.0848","0.0006","11.6383","0.0011","13.0505","0.001","90","","90.708","0.007","90","","1227.87","0.18","295.66","0.1","295.66","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.079","0.0483","","","0.098","0.117","","","","","","1.061","","","","has coordinates","226771","2020-10-21","18:00:00",""
"4035308","14.5199","0.0016","8.9603","0.0009","26.373","0.002","90","","95.697","0.01","90","","3414.2","0.6","294.99","0.1","294.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1436","0.0591","","","0.1123","0.1651","","","","","","0.976","","","","has coordinates","226772","2020-10-21","18:00:00",""
"4035309","9.7816","0.0009","9.7843","0.001","9.9643","0.0007","85.321","0.007","76.276","0.007","68.418","0.009","861.45","0.15","294.99","0.1","294.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C44 H32 N4 O6 -","2","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1007","0.0535","","","0.1059","0.1348","","","","","","1.046","","","","has coordinates","226773","2020-10-21","18:00:00",""
"4035310","11.5098","0.0011","7.8907","0.0008","18.8395","0.0017","90","","93.993","0.009","90","","1706.9","0.3","295.66","0.1","295.66","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1315","0.0595","","","0.1004","0.1405","","","","","","1.043","","","","has coordinates","226774","2020-10-21","18:00:00",""
"4035311","8.8381","0.0008","10.2546","0.0011","16.1701","0.0019","90","","99.358","0.01","90","","1446","0.3","294.71","0.1","294.71","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1139","0.0553","","","0.1065","0.1346","","","","","","1.021","","","","has coordinates","226775","2020-10-21","18:00:00",""
"4035312","3.9658","0.0003","17.1192","0.0013","12.3386","0.0011","90","","92.913","0.008","90","","836.6","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C32 H36 N12 S4 -","4","1","","Yu, Wentao; Huang, Yubing; Li, Jianxiao; Tang, Xiaodong; Wu, Wanqing; Jiang, Huanfeng","Copper-Catalyzed Aerobic Oxidative [3+2] Annulation for the Synthesis of 5-Amino/Imino-Substituted 1,2,4-Thiadiazoles through C-N/N-S Bond Formation.","The Journal of organic chemistry","2018","83","16","9334","9343","10.1021/acs.joc.8b01292","","x-ray","0.71073","MoKα","","0.0507","0.0421","","","0.0893","0.0932","","","","","","1.09","","","","has coordinates","226776","2020-10-21","18:00:00",""
"4035313","9.6425","0.001","12.1438","0.0014","20.772","0.002","90","","90","","90","","2432.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl2 N2 O7 -","- C24 H22 Cl2 N2 O7 -","- C96 H88 Cl8 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.1162","0.0449","","","0.099","0.1287","","","","","","0.992","","","","has coordinates","226777","2020-10-21","18:00:00",""
"4035314","9.6537","0.0004","10.4079","0.0004","23.45","0.0009","90","","90","","90","","2356.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl N2 O7 -","- C24 H23 Cl N2 O7 -","- C96 H92 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0375","0.0313","","","0.0824","0.0873","","","","","","1.065","","","","has coordinates","226778","2020-10-21","18:00:00",""
"4035315","9.9064","0.0007","14.4276","0.001","16.9123","0.0011","90","","90","","90","","2417.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O7 -","- C23 H27 Cl N2 O7 -","- C92 H108 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0547","0.0353","","","0.0828","0.0938","","","","","","1.029","","","","has coordinates","226779","2020-10-21","18:00:00",""
"4035316","6.1542","0.0007","11.9256","0.0012","12.317","0.0014","109.823","0.004","98.135","0.004","104.068","0.004","799.68","0.16","276","2","276","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N S -","- C21 H15 N S -","- C42 H30 N2 S2 -","2","1","","Ma, Yong-Gang; Huang, Meng-Qiao; Liu, Zhenhua; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of Substituted 4 H-Thiochromen-4-imines via Copper-Catalyzed Cyclization Cascades of o-Bromobenzothioamides with Terminal Alkynes.","The Journal of organic chemistry","2018","83","16","9504","9509","10.1021/acs.joc.8b01180","","","0.71073","MoKα","","0.1483","0.0685","","","0.1056","0.1258","","","","","","1.05","","","","has coordinates","226780","2020-10-21","18:00:00",""
"4035317","6.7516","0.0003","11.9488","0.0005","15.6306","0.0007","90","","90","","90","","1260.98","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","1.54178","CuKα","","0.0464","0.0463","","","0.1263","0.1263","","","","","","1.114","","","","has coordinates","226781","2020-10-21","18:00:00",""
"4035318","12.7547","0.0017","11.3387","0.0015","16.8","0.002","90","","90","","90","","2429.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","0.71073","","","0.08","0.045","","","0.1001","0.1121","","","","","","0.968","","","","has coordinates","226782","2020-10-21","18:00:00",""
"4035319","19.817","0.003","8.0545","0.001","13.0062","0.0016","90","","90.266","0.01","90","","2076","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Wang, Xiaoxia; Li, Jianyong; Yuan, Ting; You, Bingxin; Xie, Guanqun; Lv, Xin","Additive Tuned Selective Synthesis of Bicyclo[3.3.0]octan-1-ols and Bicyclo[3.1.0]hexan-1-ols Mediated by AllylSmBr.","The Journal of organic chemistry","2018","83","16","8984","8994","10.1021/acs.joc.8b01170","","","0.71073","MoKα","","0.1457","0.0641","","","0.1515","0.1881","","","","","","0.927","","","","has coordinates","226783","2020-10-21","18:00:00",""
"4035320","13.0228","0.0004","5.7","0.0002","22.0772","0.0008","90","","95.706","0.0019","90","","1630.67","0.1","123","","123","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Iwasaki, Takanori; Min, Xin; Fukuoka, Asuka; Zhu, Longzhi; Qiu, Renhua; Yang, Tao; Ehara, Masahiro; Sudalai, Arumugam; Kambe, Nobuaki","Ni-Catalyzed Dimerization and Hydroperfluoroarylation of 1,3-Dienes.","The Journal of organic chemistry","2018","83","16","9267","9277","10.1021/acs.joc.8b01266","","","1.54187","CuKα","","0.1354","0.1007","","","0.2756","0.321","","","","","","1.116","","","","has coordinates","226784","2020-10-21","18:00:00",""
"4035321","13.75","0.003","8.4604","0.0017","15.96","0.003","90","","98.479","0.002","90","","1836.3","0.6","571","2","571.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 S2 -","- C18 H20 O3 S2 -","- C72 H80 O12 S8 -","4","1","","Huang, Shuai; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Copper-Catalyzed Oxidative Trifunctionalization of Olefins: An Access to Functionalized β-Keto Thiosulfones.","The Journal of organic chemistry","2018","83","16","9449","9455","10.1021/acs.joc.8b01161","","","0.71073","MoKα","","0.0509","0.0378","","","0.0937","0.1059","","","","","","1.088","","","","has coordinates","226785","2020-10-21","18:00:00",""
"4035322","7.9251","0.0007","9.4318","0.0009","22.324","0.002","90","","90","","90","","1668.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Brewster, 2nd, James T; Zafar, Hadiqa; McVeigh, Matthew; Wight, Christopher D.; Anguera, Gonzalo; Steinbrück, Axel; Lynch, Vincent M.; Sessler, Jonathan L.","Gram-Scale Synthesis of a Bench-Stable 5,5″-Unsubstituted Terpyrrole.","The Journal of organic chemistry","2018","83","16","9568","9570","10.1021/acs.joc.8b01333","","","0.71073","MoKα","","0.0521","0.0386","","","0.0772","0.082","","","","","","1.034","","","","has coordinates","226786","2020-10-21","18:00:00",""
"4035323","9.8775","0.0008","15.4447","0.0013","11.7776","0.001","90","","94.832","0.002","90","","1790.3","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br N2 O3 S -","- C18 H21 Br N2 O3 S -","- C72 H84 Br4 N8 O12 S4 -","4","1","","Barát, Viktor; Csókás, Dániel; Bates, Roderick W.","Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition.","The Journal of organic chemistry","2018","83","16","9088","9095","10.1021/acs.joc.8b01156","","","0.71073","MoKα","","0.099","0.0592","","","0.1122","0.1245","","","","","","1.167","","","","has coordinates,has disorder","226787","2020-10-21","18:00:00",""
"4035324","10.2525","0.0003","11.9028","0.0003","16.368","0.0005","90","","90","","90","","1997.44","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br I N2 O3 -","- C20 H18 Br I N2 O3 -","- C80 H72 Br4 I4 N8 O12 -","4","1","","Barát, Viktor; Csókás, Dániel; Bates, Roderick W.","Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition.","The Journal of organic chemistry","2018","83","16","9088","9095","10.1021/acs.joc.8b01156","","","0.71073","MoKα","","0.0838","0.0455","","","0.056","0.0653","","","","","","1.006","","","","has coordinates","226788","2020-10-21","18:00:00",""
"4035325","12.5595","0.0005","22.6599","0.0009","13.5242","0.0005","90","","116.048","0.002","90","","3458","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 N2 O2 -","- C37 H48 N2 O2 -","- C148 H192 N8 O8 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.1496","0.0672","","","0.1384","0.1756","","","","","","1.013","","","","has coordinates,has disorder","226789","2020-10-21","18:00:00",""
"4035326","9.1165","0.0001","17.6729","0.0002","16.5085","0.0002","90","","94.4057","0.0007","90","","2651.91","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cl2 N4 O2 -","- C29 H24 Cl2 N4 O2 -","- C116 H96 Cl8 N16 O8 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0728","0.0447","","","0.1098","0.1251","","","","","","1.038","","","","has coordinates","226790","2020-10-21","18:00:00",""
"4035327","16.5113","0.0004","18.4826","0.0004","31.1034","0.0007","90","","90","","90","","9491.9","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl4 N2 -","- C32 H36 Cl4 N2 -","- C384 H432 Cl48 N24 -","12","3","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0757","0.0437","","","0.0838","0.0983","","","","","","1.035","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035328","9.4282","0.0001","14.6095","0.0002","23.4717","0.0003","90","","99.2723","0.0007","90","","3190.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 Cl2 N2 O3 -","- C33 H36 Cl2 N2 O3 -","- C132 H144 Cl8 N8 O12 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0942","0.0595","","","0.1656","0.1905","","","","","","1.061","","","","has coordinates,has disorder","226792","2020-10-21","18:00:00",""
"4035329","10.9887","0.0004","21.4189","0.001","19.5842","0.0008","90","","104.087","0.004","90","","4470.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cl2 N3 Pd -","- C50 H61 Cl2 N3 Pd -","- C200 H244 Cl8 N12 Pd4 -","4","1","","Huang, Fei-Dong; Xu, Chang; Lu, Dong-Dong; Shen, Dong-Sheng; Li, Tian; Liu, Feng-Shou","Pd-PEPPSI-IPent<sup>An</sup> Promoted Deactivated Amination of Aryl Chlorides with Amines under Aerobic Conditions.","The Journal of organic chemistry","2018","83","16","9144","9155","10.1021/acs.joc.8b01205","","","0.71073","MoKα","","0.0707","0.0641","","","0.1419","0.1463","","","","","","1.032","","","","has coordinates,has disorder","226793","2020-10-21","18:00:00",""
"4035330","6.7763","0.0009","8.5591","0.0007","13.2125","0.0014","95.469","0.008","100.076","0.01","99.918","0.009","736.97","0.14","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 F3 N5 -","- C17 H8 F3 N5 -","- C34 H16 F6 N10 -","2","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","0.71073","MoKα","","0.0559","0.0485","","","0.1228","0.1291","","","","","","1.006","","","","has coordinates","226794","2020-10-21","18:00:00",""
"4035331","12.1586","0.0007","6.2942","0.0004","20.7512","0.0012","90","","95.028","0.005","90","","1581.95","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H8 F5 N3 O -","- C19 H8 F5 N3 O -","- C76 H32 F20 N12 O4 -","4","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0918","0.0585","","","0.156","0.2158","","","","","","1.081","","","","has coordinates","226795","2020-10-21","18:00:00",""
"4035332","9.7769","0.0007","27.14","0.003","6.6499","0.0007","90","","106.914","0.009","90","","1688.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H6 F3 N7 S -","- C17 H6 F3 N7 S -","- C68 H24 F12 N28 S4 -","4","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.1245","0.0715","","","0.1844","0.2159","","","","","","0.94","","","","has coordinates","226796","2020-10-21","18:00:00",""
"4035333","15.4804","0.0004","7.6884","0.0002","20.7339","0.0006","90","","90","","90","","2467.74","0.12","100.3","0.4","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 F3 N3 O -","- C14 H8 F3 N3 O -","- C112 H64 F24 N24 O8 -","8","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0396","0.0366","","","0.1002","0.1035","","","","","","1.106","","","","has coordinates","226797","2020-10-21","18:00:00",""
"4035334","10.8651","0.0007","13.3406","0.0009","14.6164","0.001","90","","90","","90","","2118.6","0.2","173","","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O8 -","- C24 H24 O8 -","- C96 H96 O32 -","4","1","","Tsukamoto, Hirokazu; Hanada, Shogo; Nomura, Yumi; Doi, Takayuki","Total Synthesis of Spiromamakone A and Structure Revision of Spiropreussione A.","The Journal of organic chemistry","2018","83","16","9430","9441","10.1021/acs.joc.8b01075","","","0.71075","MoKα","","0.0639","0.0492","","","0.104","0.1175","","","","","","1.228","","","","has coordinates","226798","2020-10-21","18:00:00",""
"4035335","9.5614","0.0009","23.1922","0.0014","10.6309","0.0009","90","","114.258","0.011","90","","2149.3","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F2 O2 -","- C11 H18 F2 O2 -","- C88 H144 F16 O16 -","8","2","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.1011","0.0623","","","0.1565","0.1688","","","","","","0.947","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035336","8.1651","0.0004","8.2944","0.0004","22.5849","0.001","90","","90","","90","","1529.55","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F2 O2 -","- C7 H12 F2 O2 -","- C56 H96 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0464","0.0371","","","0.0859","0.0927","","","","","","1.06","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035337","23.884","0.003","7.4165","0.0011","10.908","0.0015","90","","94.654","0.013","90","","1925.8","0.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 F2 O2 -","- C9 H16 F2 O2 -","- C72 H128 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0544","0.0437","","","0.1121","0.1223","","","","","","1.057","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035338","12.0498","0.0006","19.0558","0.0006","11.4322","0.0004","90","","100.49","0.004","90","","2581.17","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 F2 O2 -","- C8 H14 F2 O2 -","- C96 H168 F24 O24 -","12","3","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.54184","CuKα","","0.08","0.0535","","","0.1269","0.1446","","","","","","1.028","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035339","9.904","0.002","22.127","0.007","9.113","0.002","90","","90","","90","","1997.1","0.9","153","2","153","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C10 H16 F2 O2 -","- C10 H16 F2 O2 -","- C80 H128 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.1202","0.0854","","","0.2166","0.2508","","","","","","1.059","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035340","10.0193","0.0003","8.5428","0.0002","15.3195","0.0004","90","","105.197","0.003","90","","1265.39","0.06","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.5418","CuKα","","0.0415","0.0393","","","0.1051","0.1073","","","","","","1.033","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035341","10.4923","0.0003","10.7404","0.0003","9.7986","0.0003","90","","97.835","0.003","90","","1093.91","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 F2 O3 -","- C12 H12 F2 O3 -","- C48 H48 F8 O12 -","4","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.5418","CuKα","","0.0495","0.0474","","","0.1291","0.1314","","","","","","1.077","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035342","18.0944","0.0013","6.5258","0.0005","18.8242","0.0014","90","","90","","90","","2222.8","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 F2 O4 -","- C11 H16 F2 O4 -","- C88 H128 F16 O32 -","8","2","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71075","MoKα","","0.0969","0.0709","","","0.1692","0.1822","","","","","","1.068","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035343","8.4766","0.0004","18.0301","0.0008","14.2702","0.0006","90","","103.578","0.0013","90","","2120.02","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 O2 P -","- C26 H23 O2 P -","- C104 H92 O8 P4 -","4","1","","Yuen, On Ying; Leung, Man Pan; So, Chau Ming; Sun, Raymond Wai-Yin; Kwong, Fuk Yee","Palladium-Catalyzed Direct Arylation of Polyfluoroarenes for Accessing Tetra- ortho-Substituted Biaryls: Buchwald-type Ligand Having Complementary -PPh<sub>2</sub> Moiety Exhibits Better Efficiency.","The Journal of organic chemistry","2018","83","16","9008","9017","10.1021/acs.joc.8b01176","","","0.71073","MoKα","","0.039","0.0345","","","0.0905","0.0948","","","","","","1.055","","","","has coordinates","226800","2020-10-21","18:00:00",""
"4035344","11.1803","0.0013","7.9059","0.0009","21.793","0.002","90","","90","","90","","1926.3","0.4","200","2","200","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0964","0.0557","","","0.1084","0.1225","","","","","","1.071","","","","has coordinates","226801","2020-10-21","18:00:00",""
"4035345","25.349","0.004","16.304","0.003","24.858","0.004","90","","90","","90","","10274","3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H40 Cl2 Co N8 -","- C46 H40 Cl2 Co N8 -","- C368 H320 Cl16 Co8 N64 -","8","1","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0442","0.0342","","","0.0895","0.0948","","","","","","1.044","","","","has coordinates,has disorder","226802","2020-10-21","18:00:00",""
"4035346","11.5436","0.0006","14.5336","0.0007","14.7482","0.0008","99.894","0.002","103.021","0.002","107.072","0.002","2228","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl2 O2 -","- C50 H34 Cl2 O2 -","- C100 H68 Cl4 O4 -","2","1","","Kong, Xiangwen; Yang, Shuang; Yu, Fang; Vasamsetty, Laxmaiah; Liu, Jian; Liu, Shuhua; Liu, Xiaozhi; Fang, Xinqiang","Cyclopentadienone Formation from β,γ-Unsaturated Cyclopentenones and Its Application in Diels-Alder Reactions.","The Journal of organic chemistry","2018","83","16","8953","8961","10.1021/acs.joc.8b01150","","","0.71073","MoKα","","0.1058","0.0981","","","0.2189","0.2222","","","","","","1.148","","","","has coordinates","226803","2020-10-21","18:00:00",""
"4035347","5.9965","0.0002","35.6863","0.0012","12.4237","0.0004","90","","101.068","0.001","90","","2609.13","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C136 H144 O8 -","4","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0441","0.0406","","","0.1057","0.1085","","","","","","1.037","","","","has coordinates","226804","2020-10-21","18:00:00",""
"4035348","9.9603","0.0005","12.4411","0.0007","12.4653","0.0007","81.911","0.002","86.691","0.002","71.216","0.002","1447.72","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 Cl O2 -","- C36 H37 Cl O2 -","- C72 H74 Cl2 O4 -","2","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0359","0.0351","","","0.0936","0.0943","","","","","","1.023","","","","has coordinates","226805","2020-10-21","18:00:00",""
"4035349","10.0553","0.0003","10.7561","0.0004","13.7858","0.0005","86.384","0.001","69.605","0.001","71.368","0.001","1322.34","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O3 -","- C31 H36 O3 -","- C62 H72 O6 -","2","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0458","0.0411","","","0.103","0.1063","","","","","","1.026","","","","has coordinates","226806","2020-10-21","18:00:00",""
"4035350","32.1927","0.001","18.4712","0.0005","11.935","0.0004","90","","90","","90","","7097","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38.5 H41 Cl O5 -","- C38 H40 O5 -","- C304 H320 O40 -","8","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0404","0.0374","","","0.0917","0.0932","","","","","","1.03","","","","has coordinates,has disorder","226807","2020-10-21","18:00:00",""
"4035351","7.0079","0.0005","12.5351","0.0007","16.032","0.0011","104.995","0.004","102.166","0.005","95.758","0.005","1311.81","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N3 O6 -","- C28 H31 N3 O6 -","- C56 H62 N6 O12 -","2","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.106","0.0566","","","0.1553","0.1838","","","","","","0.988","","","","has coordinates","226808","2020-10-21","18:00:00",""
"4035352","13.5329","0.0018","13.8394","0.0016","11.9184","0.0013","90","","99.398","0.011","90","","2202.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 F2 N O3 -","- C27 H21 F2 N O3 -","- C108 H84 F8 N4 O12 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.0837","0.0593","","","0.1402","0.1594","","","","","","0.833","","","","has coordinates","226809","2020-10-21","18:00:00",""
"4035353","8.1355","0.0014","27.205","0.005","9.9493","0.0015","90","","92.541","0.016","90","","2199.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.3509","0.1126","","","0.2133","0.3406","","","","","","0.895","","","","has coordinates","226810","2020-10-21","18:00:00",""
"4035354","10.0697","0.0008","12.2401","0.001","13.1515","0.0018","109.522","0.008","104.406","0.008","102.554","0.006","1397.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C78 H58 N2 O4 -","2","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.1265","0.0523","","","0.1088","0.14","","","","","","0.924","","","","has coordinates","226811","2020-10-21","18:00:00",""
"4035355","11.687","0.0016","26.637","0.003","9.4862","0.001","90","","104.776","0.012","90","","2855.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N3 O7 -","- C29 H35 N3 O7 -","- C116 H140 N12 O28 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.1615","0.0823","","","0.1387","0.1736","","","","","","1.024","","","","has coordinates","226812","2020-10-21","18:00:00",""
"4035356","15.4446","0.0006","9.1154","0.0003","19.6449","0.0007","90","","100.925","0.002","90","","2715.56","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N O4 S -","- C33 H29 N O4 S -","- C132 H116 N4 O16 S4 -","4","1","","Peng, Cheng; Zhang, Jingyi; Xue, Jian; Li, Siqi; Wang, Xiao-Na; Chang, Junbiao","Lewis Acids Catalyzed Annulations of Ynamides with Acyl Chlorides for Constructing 4-Amino-2-naphthol Derivatives and 3-Aminocyclobutenones.","The Journal of organic chemistry","2018","83","16","9256","9266","10.1021/acs.joc.8b01255","","","0.71073","MoKα","","0.0684","0.0533","","","0.1742","0.1899","","","","","","1.442","","","","has coordinates","226813","2020-10-21","18:00:00",""
"4035357","6.1623","0.0002","15.6222","0.0007","21.7282","0.001","90","","90","","90","","2091.75","0.15","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Peng, Cheng; Zhang, Jingyi; Xue, Jian; Li, Siqi; Wang, Xiao-Na; Chang, Junbiao","Lewis Acids Catalyzed Annulations of Ynamides with Acyl Chlorides for Constructing 4-Amino-2-naphthol Derivatives and 3-Aminocyclobutenones.","The Journal of organic chemistry","2018","83","16","9256","9266","10.1021/acs.joc.8b01255","","","0.71073","MoKα","","0.0388","0.0325","","","0.0957","0.1066","","","","","","0.733","","","","has coordinates","226814","2020-10-21","18:00:00",""
"4035358","11.228","0.002","11.856","0.003","16.719","0.004","78.871","0.003","76.348","0.003","62.757","0.003","1913.5","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","2","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.1051","0.0591","","","0.1698","0.2207","","","","","","1.047","","","","has coordinates","226815","2020-10-21","18:00:00",""
"4035359","7.5024","0.001","11.7183","0.0016","11.9498","0.0016","103.773","0.002","92.178","0.002","94.681","0.002","1015.2","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.0777","0.0505","","","0.1577","0.1886","","","","","","0.931","","","","has coordinates","226816","2020-10-21","18:00:00",""
"4035360","13.228","0.002","8.9299","0.0014","14.873","0.002","90","","97.342","0.002","90","","1742.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.0881","0.0517","","","0.1433","0.172","","","","","","1.025","","","","has coordinates","226817","2020-10-21","18:00:00",""
"4035361","10.9251","0.0004","11.449","0.0004","24.836","0.001","90","","90","","90","","3106.5","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Br F3 N3 O4 S2 -","- C30 H23 Br F3 N3 O4 S2 -","- C120 H92 Br4 F12 N12 O16 S8 -","4","1","","Song, Yong-Xing; Du, Da-Ming","Asymmetric Construction of Bispiro[oxindole-pyrrolidine-rhodanine]s via Squaramide-Catalyzed Domino Michael/Mannich [3 + 2] Cycloaddition of Rhodanine Derivatives with N-(2,2,2-Trifluoroethyl)isatin Ketimines.","The Journal of organic chemistry","2018","83","16","9278","9290","10.1021/acs.joc.8b01245","","","0.71073","MoKα","","0.0502","0.0405","","","0.1059","0.1117","","","","","","1.032","","","","has coordinates","226818","2020-10-21","18:00:00",""
"4035362","19.6401","0.0006","10.0875","0.0002","21.1461","0.0007","90","","90","","90","","4189.5","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C232 H168 N8 O16 -","8","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0541","0.0424","","","0.0998","0.1071","","","","","","1.027","","","","has coordinates","226819","2020-10-21","18:00:00",""
"4035363","11.0705","0.0004","7.819","0.0003","25.7254","0.0008","90","","101.755","0.003","90","","2180.1","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C116 H84 N4 O8 -","4","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0749","0.0609","","","0.1156","0.1226","","","","","","1.048","","","","has coordinates","226820","2020-10-21","18:00:00",""
"4035364","12.04977","0.00019","9.47578","0.00013","16.4721","0.0003","90","","95.4813","0.0015","90","","1872.2","0.05","199.89","0.17","199.89","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0549","0.0446","","","0.1127","0.1195","","","","","","1.037","","","","has coordinates","226821","2020-10-21","18:00:00",""
"4035365","8.7892","0.0018","9.969","0.002","13.277","0.003","86.63","0.03","73.04","0.03","82.14","0.03","1102.1","0.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N O4 -","- C24 H30 N O4 -","- C48 H60 N2 O8 -","2","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0866","0.0802","","","0.1852","0.1922","","","","","","1.003","","","","has coordinates","226822","2020-10-21","18:00:00",""
"4035366","7.3673","0.0015","7.5802","0.0015","19.657","0.004","90","","95.16","0.03","90","","1093.3","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C64 H36 N4 O8 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.047","0.0451","","","0.1016","0.1029","","","","","","1.015","","","","has coordinates","226823","2020-10-21","18:00:00",""
"4035367","14.819","0.003","7.9577","0.0016","28.38","0.006","90","","100.3","0.03","90","","3292.8","1.2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.074","0.067","","","0.1447","0.1495","","","","","","1.012","","","","has coordinates","226824","2020-10-21","18:00:00",""
"4035368","7.3201","0.0005","6.9507","0.0004","27.384","0.003","90","","94.654","0.008","90","","1388.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 O -","- C20 H12 N2 O -","- C80 H48 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.1137","0.0831","","","0.2309","0.2435","","","","","","1.001","","","","has coordinates","226825","2020-10-21","18:00:00",""
"4035369","7.1399","0.0004","7.7406","0.0004","12.1414","0.0007","97.466","0.004","102.778","0.005","115.741","0.005","569.62","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C28 H28 N4 O2 -","2","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0794","0.0666","","","0.2255","0.241","","","","","","1.013","","","","has coordinates","226826","2020-10-21","18:00:00",""
"4035370","7.9083","0.0016","11.626","0.002","16.057","0.003","90","","97.59","0.03","90","","1463.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0751","0.0673","","","0.143","0.1792","","","","","","1.02","","","","has coordinates","226827","2020-10-21","18:00:00",""
"4035371","6.8668","0.0002","14.1172","0.0003","14.397","0.0004","90","","90","","90","","1395.65","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 O -","- C20 H12 N2 O -","- C80 H48 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0677","0.0589","","","0.1721","0.181","","","","","","1.003","","","","has coordinates","226828","2020-10-21","18:00:00",""
"4035372","15.858","0.002","6.8927","0.001","9.0764","0.0012","90","","90","","90","","992.1","0.2","99.99","0.18","99.99","0.18","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","0.5","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0693","0.0503","","","0.1159","0.1314","","","","","","1.021","","","","has coordinates","226829","2020-10-21","18:00:00",""
"4035373","3.846","0.0008","24.811","0.005","12.108","0.002","90","","93.01","0.03","90","","1153.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0618","0.0593","","","0.1327","0.1346","","","","","","1.006","","","","has coordinates","226830","2020-10-21","18:00:00",""
"4035374","11.665","0.0008","10.3095","0.0006","14.8218","0.001","90","","94.116","0.003","90","","1777.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Friedel-Crafts Hydroxyalkylation of Indoles with α-Keto Amides using Reusable K<sub>3</sub>PO<sub>4</sub>/ nBu<sub>4</sub>NBr Catalytic System in Water.","The Journal of organic chemistry","2018","83","16","8827","8839","10.1021/acs.joc.8b00844","","","0.71073","MoKα","","0.0632","0.0445","","","0.1061","0.124","","","","","","1.052","","","","has coordinates","226831","2020-10-21","18:00:00",""
"4035375","16.5505","0.0003","10.3454","0.0002","9.53748","0.00017","90","","101.327","0.0017","90","","1601.22","0.05","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O6 S -","- C16 H18 O6 S -","- C64 H72 O24 S4 -","4","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","1.54184","CuKα","","0.0414","0.0341","","","0.0852","0.0903","","","","","","1.043","","","","has coordinates","226832","2020-10-21","18:00:00",""
"4035376","11.8228","0.0002","12.38285","0.00019","20.3843","0.0004","90","","90","","90","","2984.26","0.09","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 Cl N O3 S -","- C17 H12 Cl N O3 S -","- C136 H96 Cl8 N8 O24 S8 -","8","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0347","0.0302","","","0.0754","0.0784","","","","","","1.039","","","","has coordinates","226833","2020-10-21","18:00:00",""
"4035377","15.1873","0.0002","8.41771","0.00012","39.3945","0.0007","90","","90","","90","","5036.28","0.13","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H23 N O4 S2 -","- C33 H23 N O4 S2 -","- C264 H184 N8 O32 S16 -","8","2","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","1.54184","CuKα","","0.0443","0.0417","","","0.1058","0.1073","","","","","","1.151","","","","has coordinates","226834","2020-10-21","18:00:00",""
"4035378","8.4756","0.0002","9.5981","0.0002","17.4464","0.0004","78.921","0.002","83.629","0.002","81.536","0.002","1372.63","0.05","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl N O4 S2 -","- C33 H24 Cl N O4 S2 -","- C66 H48 Cl2 N2 O8 S4 -","2","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0431","0.0343","","","0.081","0.0868","","","","","","1.042","","","","has coordinates","226835","2020-10-21","18:00:00",""
"4035379","7.9663","0.0016","14.83","0.003","14.187","0.002","90","","96.629","0.018","90","","1664.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br Mn N2 O3 S -","- C13 H16 Br Mn N2 O3 S -","- C52 H64 Br4 Mn4 N8 O12 S4 -","4","1","","Das, Kalicharan; Mondal, Avijit; Srimani, Dipankar","Selective Synthesis of 2-Substituted and 1,2-Disubstituted Benzimidazoles Directly from Aromatic Diamines and Alcohols Catalyzed by Molecularly Defined Nonphosphine Manganese(I) Complex.","The Journal of organic chemistry","2018","83","16","9553","9560","10.1021/acs.joc.8b01316","","","0.71073","MoKα","","0.2034","0.0923","","","0.1579","0.2151","","","","","","0.903","","","","has coordinates","226836","2020-10-21","18:00:00",""
"4035380","9.00787","0.00016","17.6893","0.0004","10.8349","0.0002","90","","105.322","0.0011","90","","1665.1","0.06","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H34 N2 O5 S2 -","- C42 H34 N2 O5 S2 -","- C84 H68 N4 O10 S4 -","2","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","","0.0637","","","","0.1706","","","","","","1.073","","","","has coordinates","226837","2020-10-21","18:00:00",""
"4035381","13.9979","0.0003","10.37944","0.00019","14.6537","0.0003","90","","94.048","0.007","90","","2123.73","0.08","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C104 H92 N4 O12 S4 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0362","0.0348","","","0.0903","0.0915","","","","","","1.025","","","","has coordinates","226838","2020-10-21","18:00:00",""
"4035382","7.98905","0.00015","15.1809","0.0003","17.4906","0.0003","90","","92.789","0.007","90","","2118.76","0.07","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C104 H92 N4 O12 S4 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0365","0.0346","","","0.0912","0.0925","","","","","","1.038","","","","has coordinates","226839","2020-10-21","18:00:00",""
"4035383","20.0068","0.001","19.8255","0.001","10.7525","0.0005","90","","90","","90","","4264.9","0.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C208 H184 N8 O24 S8 -","8","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0799","0.0664","","","0.194","0.2056","","","","","","1.086","","","","has coordinates","226840","2020-10-21","18:00:00",""
"4035384","14.993","0.0004","10.3428","0.0003","17.6768","0.0005","90","","103.888","0.007","90","","2661","0.15","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O6 -","- C31 H36 O6 -","- C124 H144 O24 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0421","0.0383","","","0.1007","0.1035","","","","","","1.062","","","","has coordinates","226841","2020-10-21","18:00:00",""
"4035385","4.59803","0.00016","7.913","0.0003","9.0802","0.0004","99.351","0.003","93.072","0.003","93.314","0.003","324.77","0.02","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 B F3 N O -","- C5 H5 B F3 N O -","- C10 H10 B2 F6 N2 O2 -","2","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","","0.0464","","","","0.1354","","","","","","1.123","","","","has coordinates","226842","2020-10-21","18:00:00",""
"4035386","4.905","0.013","18.25","0.05","13.37","0.03","90","","90.86","0.03","90","","1197","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br F3 N2 O2 -","- C11 H6 Br F3 N2 O2 -","- C44 H24 Br4 F12 N8 O8 -","4","1","","Wu, Jun; Zhang, Hui; Ding, Xiao; Tan, Xuefei; Chen, Jie; He, Weimin; Deng, Hongmei; Song, Liping; Shen, Hong C.; Cao, Weiguo","Potassium Iodide-Promoted One-Pot Synthesis of Fluoroalkylated Quinoxalines via a Tandem Michael Addition/Azidation/Cycloamination Approach.","The Journal of organic chemistry","2018","83","16","9422","9429","10.1021/acs.joc.8b01030","","","0.71073","MoKα","","0.0628","0.0428","","","0.1036","0.1113","","","","","","1.067","","","","has coordinates","226843","2020-10-21","18:00:00",""
"4035387","11.7016","0.0001","32.0199","0.0004","6.8655","0.0001","90","","90","","90","","2572.39","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H35 I N2 O2 -","- C23 H35 I N2 O2 -","- C92 H140 I4 N8 O8 -","4","1","","Hong, Mannkyu; Kim, Yoseph; Kim, Hyejin; Cho, Hee Jin; Baik, Mu-Hyun; Kim, Youngjo","Scorpionate Catalysts for Coupling CO<sub>2</sub> and Epoxides to Cyclic Carbonates: A Rational Design Approach for Organocatalysts.","The Journal of organic chemistry","2018","83","16","9370","9380","10.1021/acs.joc.8b00722","","","0.71073","MoKα","","0.0443","0.0362","","","0.125","0.1306","","","","","","1.008","","","","has coordinates","226844","2020-10-21","18:00:00",""
"4035388","10.9173","0.0006","10.9173","0.0006","15.0401","0.001","90","","90","","90","","1792.59","0.18","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 N2 O4 S2 -","- C16 H18 N2 O4 S2 -","- C64 H72 N8 O16 S8 -","4","0.5","","Chaminda Lakmal, Hetti Handi; Xu, Joanna Xiuzhu; Xu, Xue; Ahmed, Bassem; Fong, Christopher; Szalda, David J.; Ramig, Keith; Sygula, Andrzej; Webster, Charles Edwin; Zhang, Dongmao; Cui, Xin","Synthesis of C-Unsubstituted 1,2-Diazetidines and Their Ring-Opening Reactions via Selective N-N Bond Cleavage.","The Journal of organic chemistry","2018","83","16","9497","9503","10.1021/acs.joc.8b01223","","","0.71073","MoKα","","0.0836","0.0545","","","0.094","0.1051","","","","","","1.023","","","","has coordinates","226845","2020-10-21","18:00:00",""
"4035389","11.643","0.002","14.76","0.003","15.957","0.003","90","","90","","90","","2742.2","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br N3 O5 S -","- C29 H26 Br N3 O5 S -","- C116 H104 Br4 N12 O20 S4 -","4","1","","Zhao, Hong-Wu; Feng, Ning-Ning; Guo, Jia-Ming; Du, Juan; Ding, Wan-Qiu; Wang, Li-Ru; Song, Xiu-Qing","Diastereoselective and Enantioselective Synthesis of Barbiturate-Fused Spirotetrahydroquinolines via Chiral Palladium(0)/Ligand Complex Catalyzed [4 + 2] Cycloaddition of Vinyl Benzoxazinanones with Barbiturate-Based Olefins.","The Journal of organic chemistry","2018","83","16","9291","9299","10.1021/acs.joc.8b01268","","","0.71073","MoKα","","0.0648","0.0443","","","0.0737","0.0799","","","","","","1.007","","","","has coordinates","226846","2020-10-21","18:00:00",""
"4035390","15.5704","0.0008","25.7255","0.001","16.0579","0.0009","90","","110.885","0.006","90","","6009.5","0.6","169.8","","169.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H59 Cl6 N15 -","- C62 H59 Cl6 N15 -","- C248 H236 Cl24 N60 -","4","1","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1061","0.062","","","0.1453","0.1762","","","","","","1.022","","","","has coordinates,has disorder","226847","2020-10-21","18:00:00",""
"4035391","26.198","0.0011","15.139","0.0005","31.8305","0.0011","90","","90","","90","","12624.3","0.8","179.3","","179.3","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C136 H128 Cl12 N18 -","- C136 H128 Cl12 N18 -","- C544 H512 Cl48 N72 -","4","0.5","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1354","0.0956","","","0.2588","0.3128","","","","","","1.028","","","","has coordinates,has disorder","226848","2020-10-21","18:00:00",""
"4035392","7.7838","0.0002","16.9514","0.0005","21.2298","0.0007","90","","90","","90","","2801.19","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Cruz, Daniel A.; Sinka, Victoria; Martín, Víctor S; Padrón, Juan I","Iron-Catalyzed Prins-Peterson Reaction for the Direct Synthesis of Δ<sup>4</sup>-2,7-Disubstituted Oxepenes.","The Journal of organic chemistry","2018","83","20","12632","12647","10.1021/acs.joc.8b01978","","","1.54184","CuKα","","0.0444","0.0391","","","0.1066","0.1131","","","","","","1.055","","","","has coordinates","226849","2020-10-21","18:00:00",""
"4035393","18.4509","0.0017","16.507","0.0017","8.064","0.0006","90","","92.762","0.008","90","","2453.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O Si2 -","- C26 H32 O Si2 -","- C104 H128 O4 Si8 -","4","1","","Lv, Weiwei; Yu, Jia; Ge, Bailu; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Catellani-Type Bis-silylation and Bis-germanylation of Aryl Iodides and Norbornenes.","The Journal of organic chemistry","2018","83","20","12683","12693","10.1021/acs.joc.8b02018","","","0.71073","MoKα","","0.1096","0.0574","","","0.1121","0.132","","","","","","1.028","","","","has coordinates","226850","2020-10-21","18:00:00",""
"4035394","13.589","0.004","9.963","0.002","17.419","0.003","90","","102.55","0.02","90","","2302","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 O Si2 -","- C23 H32 O Si2 -","- C92 H128 O4 Si8 -","4","1","","Lv, Weiwei; Yu, Jia; Ge, Bailu; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Catellani-Type Bis-silylation and Bis-germanylation of Aryl Iodides and Norbornenes.","The Journal of organic chemistry","2018","83","20","12683","12693","10.1021/acs.joc.8b02018","","","0.71073","MoKα","","0.1257","0.0655","","","0.1489","0.186","","","","","","1.023","","","","has coordinates","226851","2020-10-21","18:00:00",""
"4035395","9.8898","0.0017","11.4182","0.0019","15.179","0.002","99.218","0.009","98.769","0.01","107.339","0.01","1578.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","2","","Kołodziejczyk, Agata; Domański, Sylwester; Chaładaj, Wojciech","Tandem Palladium-Catalyzed 6- exo- dig Oxocyclization Coupling of δ-Acetylenic β-Ketoesters with Aryl Bromides and Chlorides: Route to Substituted Dihydropyrans.","The Journal of organic chemistry","2018","83","20","12887","12896","10.1021/acs.joc.8b01832","","","1.54178","CuKα","","0.1279","0.0736","","","0.1956","0.2365","","","","","","1.039","","","","has coordinates","226852","2020-10-21","18:00:00",""
"4035396","9.4739","0.0004","12.3578","0.0006","15.9762","0.0008","69.31","0.002","78.961","0.002","71.61","0.002","1653.69","0.14","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N2 O5 -","- C42 H34 N2 O5 -","- C84 H68 N4 O10 -","2","1","","Naresh Babu, K.; Kariyandi, Nikhil Raj; Saheeda M K, Saina; Kinthada, Lakshmana K.; Bisai, Alakesh","Lewis Acid-Catalyzed Malonate Addition onto 3-Hydroxy-2-oxindoles: Mechanistic Consideration and Synthetic Approaches to the Pyrroloindoline Alkaloids.","The Journal of organic chemistry","2018","83","20","12664","12682","10.1021/acs.joc.8b02017","","","0.71073","MoKα","","0.2196","0.0972","","","0.2025","0.2408","","","","","","1.186","","","","has coordinates","226853","2020-10-21","18:00:00",""
"4035397","16.0538","0.0005","15.9623","0.0005","11.2628","0.0003","90","","93.733","0.002","90","","2880.03","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ND1-064-B2","beta-10d","","- C28 H43 N O6 Si -","- C28 H43 N O6 Si -","- C112 H172 N4 O24 Si4 -","4","1","","Doering, Nicolle A.; Kou, Kevin G. M.; Norseeda, Krissada; Lee, Jack C.; Marth, Christopher J.; Gallego, Gary M.; Sarpong, Richmond","A Copper-Mediated Conjugate Addition Approach to Analogues of Aconitine-Type Diterpenoid Alkaloids.","The Journal of organic chemistry","2018","83","20","12911","12920","10.1021/acs.joc.8b01967","","","1.54178","CuKα","","0.0546","0.0519","","","0.1338","0.1362","","","","","","1.078","","","","has coordinates","226854","2020-10-21","18:00:00",""
"4035398","8.7861","0.0003","19.9084","0.0006","21.7332","0.0007","90","","90","","90","","3801.5","0.2","293","0.2","293","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C192 H144 O32 -","8","1","","Liu, Yan-Qing; Li, Qing-Zhu; Zhu, Hong-Ping; Feng, Xin; Peng, Cheng; Huang, Wei; Li, Jun-Long; Han, Bo","Direct Sulfide-Catalyzed Diastereoselective [4+1] Annulations of ortho-Quinone Methides and Bromides.","The Journal of organic chemistry","2018","83","20","12753","12762","10.1021/acs.joc.8b02189","","x-ray","1.54184","CuKα","","0.07","0.0629","","","0.1586","0.1711","","","","","","1.032","","","","has coordinates","226855","2020-10-21","18:00:00",""
"4035399","13.3515","0.0019","13.8729","0.0014","14.852","0.003","81.985","0.01","88.534","0.011","63.761","0.006","2441.4","0.7","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H72 N8 O16 -","- C40 H72 N8 O16 -","- C80 H144 N16 O32 -","2","1","","Schettini, Rosaria; Costabile, Chiara; Della Sala, Giorgio; Iuliano, Veronica; Tedesco, Consiglia; Izzo, Irene; De Riccardis, Francesco","Cation-Induced Molecular Switching Based on Reversible Modulation of Peptoid Conformational States.","The Journal of organic chemistry","2018","83","20","12648","12663","10.1021/acs.joc.8b01990","","","1.54178","CuKα","","0.0561","0.0476","","","0.1282","0.1361","","","","","","1.028","","","","has coordinates","226856","2020-10-21","18:00:00",""
"4035400","5.9816","0.0001","13.6923","0.0003","21.4173","0.0005","90","","90","","90","","1754.12","0.06","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 N2 Zn -","- C16 H22 Cl2 N2 Zn -","- C64 H88 Cl8 N8 Zn4 -","4","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0562","0.0386","","","0.0702","0.0755","","","","","","1.001","","","","has coordinates","226858","2020-10-21","18:00:00",""
"4035401","6.933","0.0002","17.2571","0.0004","20.0543","0.0005","90","","90","","90","","2399.37","0.11","173","2","173","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C8 H18 Cl2 N2 Zn -","- C8 H18 Cl2 N2 Zn -","- C64 H144 Cl16 N16 Zn8 -","8","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.1316","0.1087","","","0.2603","0.2686","","","","","","1.225","","","","has coordinates,has disorder","226859","2020-10-21","18:00:00",""
"4035402","8.3177","0.0003","8.3401","0.0004","9.539","0.0004","90.66","0.002","103.539","0.0018","100.646","0.002","631.22","0.05","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Cl2 N2 O2 Zn -","- C8 H18 Cl2 N2 O2 Zn -","- C16 H36 Cl4 N4 O4 Zn2 -","2","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0298","0.0265","","","0.0601","0.0633","","","","","","0.991","","","","has coordinates","226860","2020-10-21","18:00:00",""
"4035403","8.5348","0.0005","11.445","0.0006","13.2997","0.0008","90","0.003","89.932","0.003","90","0.002","1299.12","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl4 N2 Zn -","- C4 H16 Cl4 N2 Zn -","- C16 H64 Cl16 N8 Zn4 -","4","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.1022","0.0654","","","0.1478","0.1683","","","","","","1.047","","","","has coordinates","226861","2020-10-21","18:00:00",""
"4035404","8.8724","0.0003","15.4191","0.0005","11.6823","0.0003","90","","101.762","0.0016","90","","1564.64","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 Cl2 N2 O2 Zn -","- C34 H38 Cl2 N2 O2 Zn -","- C68 H76 Cl4 N4 O4 Zn2 -","2","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0777","0.0506","","","0.0844","0.0947","","","","","","1.062","","","","has coordinates,has disorder","226862","2020-10-21","18:00:00",""
"4035405","16.1532","0.0006","19.5027","0.0006","18.8925","0.0007","90","","104.25","0.004","90","","5768.6","0.4","150.11","0.1","150.11","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N O2 -","- C33 H45 N O2 -","- C264 H360 N8 O16 -","8","2","","Ciechańska, Magdalena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Alkylation of the K-Region in a Sterically Hindered Pyrene Carboxamide via Directed Reaction with Alkyllithiums under Air.","The Journal of organic chemistry","2018","83","20","12793","12797","10.1021/acs.joc.8b01024","","x-ray","0.71072","MoKα","","0.0781","0.0584","","","0.1249","0.1347","","","","","","1.046","","","","has coordinates","226863","2020-10-21","18:00:00",""
"4035406","5.7993","0.0004","16.3444","0.0011","21.7331","0.0014","90","","90","","90","","2060","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 N O3 S Si -","- C16 H31 N O3 S Si -","- C64 H124 N4 O12 S4 Si4 -","4","1","","Fernández-Sánchez, Luis; Fernández-Salas, José A; Maestro, M. Carmen; García Ruano, Jose L","Reformatsky Reaction to Alkynyl N- tert-Butanesulfinyl Imines: Lewis Acid Controlled Stereodivergent Synthesis of β-Alkynyl-β-Amino Acids.","The Journal of organic chemistry","2018","83","20","12903","12910","10.1021/acs.joc.8b01918","","","0.71073","MoKα","","0.0419","0.0355","","","0.0898","0.1155","","","","","","1.006","","","","has coordinates","226864","2020-10-21","18:00:00",""
"4035407","7.7036","0.0002","8.6989","0.0003","24.457","0.0009","90","","94.376","0.003","90","","1634.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0458","0.0413","","","0.1113","0.1143","","","","","","1.096","","","","has coordinates","226865","2020-10-21","18:00:00",""
"4035408","12.6608","0.0006","10.8233","0.0005","27.9283","0.0011","90","","94.769","0.004","90","","3813.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C176 H160 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0406","0.0355","","","0.0899","0.0928","","","","","","1.051","","","","has coordinates","226866","2020-10-21","18:00:00",""
"4035409","13.6553","0.0003","20.2125","0.0005","11.5578","0.0003","90","","90","","90","","3190.04","0.13","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.059","0.0567","","","0.1457","0.1507","","","","","","1.057","","","","has coordinates","226867","2020-10-21","18:00:00",""
"4035410","11.6882","0.0003","10.5838","0.0003","30.9945","0.0011","90","","90","","90","","3834.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0485","0.0433","","","0.1052","0.1099","","","","","","1.045","","","","has coordinates","226868","2020-10-21","18:00:00",""
"4035411","18.6801","0.0003","8.6609","0.00013","10.87942","0.00017","90","","105.924","0.0017","90","","1692.6","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 O3 -","- C20 H15 Cl N2 O3 -","- C80 H60 Cl4 N8 O12 -","4","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0394","0.0386","","","0.1045","0.1054","","","","","","1.052","","","","has coordinates","226869","2020-10-21","18:00:00",""
"4035412","25.059","0.0018","15.9883","0.0007","11.3279","0.0006","90","","99.959","0.006","90","","4470.1","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O6 -","- C24 H24 N4 O6 -","- C192 H192 N32 O48 -","8","2","","Peng, Hui; Luo, Wenkun; Jiang, Huanfeng; Yin, Biaolin","Tandem Achmatowicz Rearrangement and Acetalization of 1-[5-(Hydroxyalkyl)-furan-2-yl]-cyclobutanols Leading to Dispiroacetals and Subsequent Ring-Expansion to Form 6,7-Dihydrobenzofuran-4(5 H)-ones.","The Journal of organic chemistry","2018","83","20","12869","12879","10.1021/acs.joc.8b01765","","x-ray","1.54184","CuKα","","0.1162","0.0763","","","0.1742","0.201","","","","","","1.044","","","","has coordinates","226870","2020-10-21","18:00:00",""
"4035413","17.893","0.0005","9.79","0.0003","9.2333","0.0003","90","","101.193","0.003","90","","1586.65","0.09","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Peng, Hui; Luo, Wenkun; Jiang, Huanfeng; Yin, Biaolin","Tandem Achmatowicz Rearrangement and Acetalization of 1-[5-(Hydroxyalkyl)-furan-2-yl]-cyclobutanols Leading to Dispiroacetals and Subsequent Ring-Expansion to Form 6,7-Dihydrobenzofuran-4(5 H)-ones.","The Journal of organic chemistry","2018","83","20","12869","12879","10.1021/acs.joc.8b01765","","x-ray","1.54184","CuKα","","0.0325","0.0324","","","0.0853","0.0854","","","","","","1.064","","","","has coordinates","226871","2020-10-21","18:00:00",""
"4035414","16.331","0.00011","11.444378","0.000086","18.61358","0.00015","90","","70.5062","0.00058","90","","3279.43","0.04","358","","358","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H25 I3 N10 O2 -","- C32 H25 I3 N8 O2 -","- C128 H100 I12 N32 O8 -","4","1","","Kumar, Rajesh; Vaish, Avichal; Runčevski, Tomče; Tsarevsky, Nicolay V.","Hypervalent Iodine Compounds with Tetrazole Ligands.","The Journal of organic chemistry","2018","83","20","12496","12506","10.1021/acs.joc.8b01715","powder diffraction","x-ray","0.45236","synchrotron","","1.795","","","","","","","","2.386","","","","","","","has coordinates","226872","2020-10-21","18:00:00",""
"4035415","8.8238","0.0008","9.7981","0.001","10.3639","0.0009","95.656","0.008","90.175","0.007","92.454","0.008","890.82","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Sharma, Ritika; Kumar, Rakesh; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Rh(III)-Catalyzed C(8)-H Functionalization of Quinolines via Simultaneous C-C and C-O Bond Formation: Direct Synthesis of Quinoline Derivatives with Antiplasmodial Potential.","The Journal of organic chemistry","2018","83","20","12702","12710","10.1021/acs.joc.8b02042","","x-ray","1.54184","CuKα","","0.0777","0.0599","","","0.1747","0.1899","","","","","","1.059","","","","has coordinates","226873","2020-10-21","18:00:00",""
"4035416","15.6837","0.0004","15.8931","0.0004","16.911","0.0005","82.049","0.002","83.907","0.002","78.263","0.002","4074.22","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H60 N6 O6 Re2 -","- C45 H30 N3 O3 Re -","- C90 H60 N6 O6 Re2 -","2","1","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.0831","0.0551","","","0.1176","0.1359","","","","","","1.034","","","","has coordinates","226874","2020-10-21","18:00:00",""
"4035417","40.424","0.004","6.9876","0.0005","44.765","0.004","90","","110.991","0.01","90","","11805","2","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C40 H27 N3 -","- C40 H27 N3 -","- C640 H432 N48 -","16","2","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.1803","0.0912","","","0.199","0.2471","","","","","","1.035","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035418","12.5676","0.0014","5.7449","0.0007","18.506","0.002","90","","90.262","0.011","90","","1336.1","0.3","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.1049","0.0641","","","0.1468","0.1833","","","","","","1.034","","","","has coordinates","226876","2020-10-21","18:00:00",""
"4035419","6.0513","0.0001","22.4128","0.0005","15.8276","0.0003","90","","98.739","0.002","90","","2121.72","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 S -","- C26 H19 N3 O2 S -","- C104 H76 N12 O8 S4 -","4","1","","Cao, Dongdong; Ying, Anguo; Mo, Hanjie; Chen, Dingben; Chen, Gang; Wang, Zhiming; Yang, Jianguo","[4 + 2] Annulation of 3-Nitroindoles with Alkylidene Malononitriles: Entry to Substituted Carbazol-4-amine Derivatives.","The Journal of organic chemistry","2018","83","20","12568","12574","10.1021/acs.joc.8b01876","","","1.54184","CuKα","","0.0477","0.043","","","0.1111","0.1157","","","","","","1.049","","","","has coordinates","226877","2020-10-21","18:00:00",""
"4035420","15.355","0.002","6.4821","0.001","13.0958","0.0019","90","","114.676","0.002","90","","1184.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O3 -","- C12 H10 Br N O3 -","- C48 H40 Br4 N4 O12 -","4","1","","Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans.","The Journal of organic chemistry","2018","83","20","12549","12558","10.1021/acs.joc.8b01798","","","0.71073","MoKα","","0.0815","0.0554","","","0.1719","0.2005","","","","","","0.876","","","","has coordinates","226878","2020-10-21","18:00:00",""
"4035421","9.0367","0.0009","12.3766","0.0012","18.4225","0.0017","90","","100.833","0.001","90","","2023.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","1","","Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans.","The Journal of organic chemistry","2018","83","20","12549","12558","10.1021/acs.joc.8b01798","","","0.71073","MoKα","","0.0768","0.0609","","","0.2166","0.2476","","","","","","1.009","","","","has coordinates","226879","2020-10-21","18:00:00",""
"4035422","11.3893","0.0003","14.6404","0.0004","20.3796","0.0005","90","","90","","90","","3398.17","0.15","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","","","0.0365","0.0312","","","0.0779","0.0819","","","","","","1.043","","","","has coordinates","226880","2020-10-21","18:00:00",""
"4035423","11.283","0.005","8.734","0.004","16.552","0.008","90","","92.249","0.008","90","","1629.9","1.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H32 O2 P2 -","- C40 H32 O2 P2 -","- C80 H64 O4 P4 -","2","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1075","0.0465","","","0.0879","0.1109","","","","","","0.812","","","","has coordinates","226881","2020-10-21","18:00:00",""
"4035424","10.2427","0.0017","27.713","0.005","12.453","0.002","90","","105.65","0.003","90","","3403.8","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","2","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1239","0.0553","","","0.1222","0.1544","","","","","","0.967","","","","has coordinates","226882","2020-10-21","18:00:00",""
"4035425","30.7793","0.0011","25.5618","0.0006","18.8361","0.0007","90","","107.606","0.004","90","","14125.6","0.9","141","0.1","141","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C95 H132 N11 O9 Zn2 -","- C95 H132 N11 O9 Zn2 -","- C380 H528 N44 O36 Zn8 -","4","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","","1.54184","CuKα","","0.1395","0.1193","","","0.3236","0.3693","","","","","","1.089","","","","has coordinates","226883","2020-10-21","18:00:00",""
"4035426","8.3398","0.00013","10.15555","0.00018","10.95054","0.00019","90","","93.5771","0.0015","90","","925.65","0.03","294.6","0.5","294.6","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F O3 -","- C22 H21 F O3 -","- C44 H42 F2 O6 -","2","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","x-ray","1.54184","CuKα","","0.0699","0.0685","","","0.1462","0.1502","","","","","","1.16","","","","has coordinates","226884","2020-10-21","18:00:00",""
"4035427","17.2491","0.001","20.1577","0.0012","21.143","0.0011","90","","90","","90","","7351.5","0.7","273","2","273.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H30 Cl2 N4 O4 -","- C39 H30 Cl2 N4 O4 -","- C312 H240 Cl16 N32 O32 -","8","1","","Liang, Jin-Yan; Shen, Shou-Jie; Chai, Xiao-Qian; Lv, Ting","Lewis-Base-Catalyzed [1 + 2 + 2] Annulation Reaction of Morita-Baylis-Hillman Carbonates with Unsaturated Pyrazolones: Construction of All-Stereogenic Carbon Cyclopentane-Fused Dispiropyrazolones.","The Journal of organic chemistry","2018","83","20","12744","12752","10.1021/acs.joc.8b02188","","","0.71073","MoKα","","0.1558","0.099","","","0.2808","0.3263","","","","","","1.117","","","","has coordinates","226885","2020-10-21","18:00:00",""
"4035428","22.4758","0.0017","10.8896","0.0008","14.8092","0.0011","90","","93.616","0.002","90","","3617.4","0.5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N4 O6 -","- C41 H38 N4 O6 -","- C164 H152 N16 O24 -","4","1","","Liang, Jin-Yan; Shen, Shou-Jie; Chai, Xiao-Qian; Lv, Ting","Lewis-Base-Catalyzed [1 + 2 + 2] Annulation Reaction of Morita-Baylis-Hillman Carbonates with Unsaturated Pyrazolones: Construction of All-Stereogenic Carbon Cyclopentane-Fused Dispiropyrazolones.","The Journal of organic chemistry","2018","83","20","12744","12752","10.1021/acs.joc.8b02188","","","0.71073","MoKα","","0.0726","0.0533","","","0.1542","0.171","","","","","","1.033","","","","has coordinates","226886","2020-10-21","18:00:00",""
"4035429","14.1406","0.0003","9.58175","0.00018","10.1251","0.0002","90","","109.792","0.003","90","","1290.83","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Zhu, Haiyong; Chen, Chao; Li, Dan; Wang, Pengxin; Wang, Yuan; Bai, Lutao; Yang, Dongxu; Wang, Linqing","Direct Synthesis of a Dioxabenzobicyclo[3.2.1]octane Core from Salicylaldehydes.","The Journal of organic chemistry","2018","83","20","12897","12902","10.1021/acs.joc.8b01873","","","1.54184","CuKα","","0.043","0.0391","","","0.1058","0.1096","","","","","","1.041","","","","has coordinates","226887","2020-10-21","18:00:00",""
"4035430","7.0525","0.0003","12.6404","0.0006","21.5366","0.0009","90","","90","","90","","1919.91","0.15","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0415","0.035","","","0.0808","0.0832","","","","","","1.051","","","","has coordinates","226888","2020-10-21","18:00:00",""
"4035431","15.0636","0.0003","15.0636","0.0003","15.9737","0.0004","90","","90","","120","","3139.02","0.12","93","2","93","2","","","","","","","","3","P 63","P 6c","173","","","","- C22 H36.67 O5.33 -","- C22 H36.6666 O5.33333 -","- C132 H220 O32 -","6","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0387","0.0363","","","0.0899","0.0917","","","","","","1.052","","","","has coordinates","226889","2020-10-21","18:00:00",""
"4035432","8.8592","0.0002","11.6523","0.0003","20.1519","0.0005","90","","94.419","0.001","90","","2074.1","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 I O3 Si -","- C19 H29 I O3 Si -","- C76 H116 I4 O12 Si4 -","4","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0366","0.0309","","","0.076","0.0796","","","","","","1.036","","","","has coordinates","226890","2020-10-21","18:00:00",""
"4035433","8.5538","0.0002","11.1673","0.0003","11.3188","0.0003","69.274","0.001","86.658","0.001","72.273","0.001","961.73","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.053","0.0437","","","0.1258","0.1361","","","","","","1.037","","","","has coordinates","226891","2020-10-21","18:00:00",""
"4035434","9.9858","0.0006","14.2162","0.0009","14.3837","0.0008","91.181","0.004","107.099","0.004","100.012","0.004","1916.3","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O6 -","- C42 H56 O6 -","- C84 H112 O12 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.2135","0.1562","","","0.2574","0.284","","","","","","1.238","","","","has coordinates,has disorder","226892","2020-10-21","18:00:00",""
"4035435","10.585","0.0005","15.1637","0.0007","15.7734","0.0007","73.285","0.003","85.172","0.003","89.787","0.003","2415.6","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 O3 Si -","- C24 H36 O3 Si -","- C96 H144 O12 Si4 -","4","2","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.1225","0.0742","","","0.1603","0.1833","","","","","","1.066","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035436","19.3123","0.0006","11.7684","0.0004","10.9877","0.0004","90","","90","","90","","2497.23","0.15","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 O3 Si2 -","- C22 H40 O3 Si2 -","- C88 H160 O12 Si8 -","4","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0577","0.0439","","","0.0991","0.1068","","","","","","1.027","","","","has coordinates","226894","2020-10-21","18:00:00",""
"4035437","9.3158","0.0002","13.3076","0.0003","14.9944","0.0003","77.281","0.001","88.982","0.001","76.424","0.001","1761.46","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H58 O6 -","- C38 H58 O6 -","- C76 H116 O12 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0745","0.0554","","","0.1551","0.1707","","","","","","1.019","","","","has coordinates,has disorder","226895","2020-10-21","18:00:00",""
"4035438","5.0861","0.0007","25.238","0.004","7.1023","0.0013","90","","99.505","0.002","90","","899.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 Br2 N2 O4 -","- C14 H26 Br2 N2 O4 -","- C28 H52 Br4 N4 O8 -","2","1","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.025","0.0226","","","0.0449","0.0454","","","","","","0.918","","","","has coordinates","226896","2020-10-21","18:00:00",""
"4035439","17.808","0.006","7.964","0.003","21.315","0.007","90","","112.289","0.003","90","","2797.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N4 O7 S -","- C26 H36 N4 O7 S -","- C104 H144 N16 O28 S4 -","4","2","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.1583","0.0613","","","0.0982","0.1247","","","","","","1.023","","","","has coordinates,has disorder","226897","2020-10-21","18:00:00",""
"4035440","7.3874","0.0003","8.0591","0.0004","10.8556","0.0005","96.711","0.002","104.962","0.002","105.019","0.002","591.25","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","methyl 2-diazo-3-(2-azido-3-methylphenyl)-3-oxopropanoate","","- C11 H9 N5 O3 -","- C11 H9 N5 O3 -","- C22 H18 N10 O6 -","2","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","1.54178","CuKα","","0.0369","0.0328","","","0.089","0.0919","","","","","","1.056","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035441","11.917","0.0004","7.9729","0.0003","15.3812","0.0005","90","","92.5421","0.0004","90","","1459.98","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","0.71073","MoKα","","0.0413","0.0355","","","0.0921","0.0965","","","","","","1.042","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035442","12.1387","0.0002","8.0853","0.0002","15.9792","0.0003","90","","98.1986","0.0006","90","","1552.25","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N2 O3 -","- C18 H13 Cl N2 O3 -","- C72 H52 Cl4 N8 O12 -","4","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","1.54178","CuKα","","0.0312","0.0303","","","0.0815","0.0822","","","","","","1.061","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035443","11.0321","0.0005","11.4646","0.0005","11.5824","0.0005","90","","95.6775","0.0006","90","","1457.74","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 N2 O3 -","- C34 H36 N2 O3 -","- C68 H72 N4 O6 -","2","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","0.71073","MoKα","","0.0461","0.0385","","","0.0903","0.0952","","","","","","1.033","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035444","9.47108","0.00012","11.24253","0.00017","30.714","0.0004","90","","90","","90","","3270.39","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O6 Si2 -","- C30 H54 O6 Si2 -","- C120 H216 O24 Si8 -","4","1","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","1.5418","CuKα","","0.0338","0.0336","","","0.0884","0.0885","","","","","","1.086","","","","has coordinates","226899","2020-10-21","18:00:00",""
"4035445","8.538","0.0005","14.3233","0.0009","19.3139","0.0012","69.177","0.006","77.656","0.005","85.101","0.005","2156.5","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 O10 Si -","- C40 H56 O10 Si -","- C80 H112 O20 Si2 -","2","1","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.2379","0.0971","","","0.1751","0.2499","","","","","","1.003","","","","has coordinates","226900","2020-10-21","18:00:00",""
"4035446","13.8165","0.0011","16.1678","0.0012","17.3578","0.0017","80.09","0.007","81.32","0.007","77.271","0.007","3699.8","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","2","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.179","0.0882","","","0.1817","0.2179","","","","","","0.834","","","","has coordinates","226901","2020-10-21","18:00:00",""
"4035447","12.36","0.003","11.2021","0.0016","15.01","0.003","90","","112.76","0.02","90","","1916.4","0.7","291.3","0.1","291.3","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C88 H120 O24 -","4","1","","Sun, Tian-Wen; Liu, Dong-Dong; Wang, Kuang-Yu; Tong, Bing-Qi; Xie, Jia-Xin; Jiang, Yan-Long; Li, Yong; Zhang, Bo; Liu, Yi-Fan; Wang, Yuan-Xian; Zhang, Jia-Jun; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 1. Diastereoselective Synthesis of CDEFGH Ring System.","The Journal of organic chemistry","2018","83","13","6893","6906","10.1021/acs.joc.7b02915","","","0.71073","MoKα","","0.1012","0.0554","","","0.1104","0.1272","","","","","","1.012","","","","has coordinates","226902","2020-10-21","18:00:00",""
"4035448","9.9065","0.0003","6.007","0.0002","11.3732","0.0003","90","","95.001","0.001","90","","674.22","0.04","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O4 -","- C11 H18 N4 O4 -","- C22 H36 N8 O8 -","2","1","","Zwick, 3rd, Christian R; Renata, Hans","Evolution of Biocatalytic and Chemocatalytic C-H Functionalization Strategy in the Synthesis of Manzacidin C.","The Journal of organic chemistry","2018","83","14","7407","7415","10.1021/acs.joc.8b00248","","x-ray","1.54178","CuKα","K-L~3~","0.0266","0.026","","","0.069","0.0695","","","","","","1.048","","","","has coordinates","226903","2020-10-21","18:00:00",""
"4035449","5.797","0.003","8.787","0.004","24.255","0.011","90","","90.072","0.006","90","","1235.5","1","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Jin, Xiao-Yang; Xie, Li-Jun; Cheng, Hou-Ping; Liu, An-Di; Li, Xue-Dong; Wang, Dong; Cheng, Liang; Liu, Li","Ruthenium-Catalyzed Decarboxylative C-H Alkenylation in Aqueous Media: Synthesis of Tetrahydropyridoindoles.","The Journal of organic chemistry","2018","83","14","7514","7522","10.1021/acs.joc.8b00229","","","0.71073","MoKα","","0.0977","0.0836","","","0.1511","0.1611","","","","","","1.245","","","","has coordinates,has disorder","226904","2020-10-21","18:00:00",""
"4035450","31.242","0.002","11.0682","0.0006","20.7564","0.0012","90","","108.866","0.007","90","","6791.8","0.7","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 Cl12 N2 -","- C68 H72 Cl12 N2 -","- C272 H288 Cl48 N8 -","4","1","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.217","0.1318","","","0.3449","0.4114","","","","","","1.126","","","","has coordinates,has disorder","226905","2020-10-21","18:00:00",""
"4035451","9.476","0.002","32.295","0.008","17.436","0.005","90","","90","","90","","5336","2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","","0.71073","MoKα","","0.1091","0.0374","","","0.0667","0.0836","","","","","","0.531","","","","has coordinates","226906","2020-10-21","18:00:00",""
"4035452","9.4747","0.0003","32.2996","0.0016","17.4267","0.0009","90","","90.412","0.004","90","","5332.9","0.4","293.7","0.1","293.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.1862","0.0765","","","0.0877","0.1229","","","","","","0.992","","","","has coordinates","226907","2020-10-21","18:00:00",""
"4035453","22.5648","0.0012","20.7782","0.0014","7.6518","0.0004","90","","90","","90","","3587.6","0.4","283.15","0.1","283.15","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","x-ray","0.71073","MoKα","","0.0606","0.0452","","","0.091","0.0984","","","","","","1.079","","","","has coordinates","226908","2020-10-21","18:00:00",""
"4035454","15.368","0.004","14.888","0.004","7.803","0.002","90","","102.365","0.003","90","","1743.9","0.8","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H14 N2 O3 S -","- C20 H14 N2 O3 S -","- C80 H56 N8 O12 S4 -","4","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0341","0.0311","","","0.0817","0.0838","","","","","","1.079","","","","has coordinates","226909","2020-10-21","18:00:00",""
"4035455","12.5986","0.0009","5.4124","0.0003","18.4775","0.0011","90","","103.601","0.004","90","","1224.62","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C56 H40 N8 O12 S4 -","4","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0345","0.0326","","","0.0876","0.0898","","","","","","1.069","","","","has coordinates","226910","2020-10-21","18:00:00",""
"4035456","10.1694","0.0006","10.3495","0.0006","16.9897","0.001","85.344","0.002","74.159","0.002","70.068","0.002","1617.04","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O2 S -","- C20 H14 N2 O2 S -","- C80 H56 N8 O8 S4 -","4","2","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0719","0.0616","","","0.1972","0.2082","","","","","","1.076","","","","has coordinates","226911","2020-10-21","18:00:00",""
"4035457","7.9088","0.0004","12.3678","0.0006","29.3373","0.0015","90","","90","","90","","2869.6","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O5 S -","- C16 H13 N O5 S -","- C128 H104 N8 O40 S8 -","8","2","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0353","0.0307","","","0.0693","0.0719","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035458","7.7133","0.0002","7.17114","0.00015","15.5989","0.0004","90","","103.88","0.003","90","","837.63","0.04","294","1","294","1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","4-((1S,2S,3S,5S,6R)-1-formyl-2,3-dimethyl-4-oxobicyclo[3.1.0]hexan-6-yl) -2-methoxyphenyl acetate","","- C18 H20 O5 -","- C18 H20 O5 -","- C36 H40 O10 -","2","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0407","0.038","","","0.1056","0.1091","","","","","","1.078","","","","has coordinates","226913","2020-10-21","18:00:00",""
"4035459","5.63132","0.00006","12.43413","0.0001","19.06466","0.00016","90","","90","","90","","1334.92","0.02","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3S,5S,6R)-6-(4-bromophenyl)-2,3-dimethyl-4-oxobicyclo[3.1.0]hexane -1-carbaldehyde","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C60 H60 Br4 O8 -","4","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0179","0.0174","","","0.0451","0.0454","","","","","","1.094","","","","has coordinates","226914","2020-10-21","18:00:00",""
"4035460","15.2591","0.0003","6.82403","0.00012","37.8298","0.0007","90","","90","","90","","3939.16","0.13","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Si -","- C26 H22 Si -","- C208 H176 Si8 -","8","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Takano, Hideaki; Sato, Tatsuki; Kanyiva, Kyalo Stephen","Ir-Catalyzed Synthesis of Substituted Tribenzosilepins by Dehydrogenative C-H/Si-H Coupling.","The Journal of organic chemistry","2018","83","7","3426","3432","10.1021/acs.joc.8b00233","","","1.54187","CuKα","","0.0395","0.0372","","","0.1017","0.1035","","","","","","1.04","","","","has coordinates","226915","2020-10-21","18:00:00",""
"4035461","9.985","0.006","19.848","0.009","10.7","0.006","90","","110.13","0.03","90","","1991","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Alvim, Haline G. O.; Correa, Jose R.; Assumpção, José A F; da Silva, Wender A.; Rodrigues, Marcelo O.; de Macedo, Julio L.; Fioramonte, Mariana; Gozzo, Fabio C.; Gatto, Claudia C.; Neto, Brenno A. D.","Heteropolyacid-Containing Ionic Liquid-Catalyzed Multicomponent Synthesis of Bridgehead Nitrogen Heterocycles: Mechanisms and Mitochondrial Staining.","The Journal of organic chemistry","2018","83","7","4044","4053","10.1021/acs.joc.8b00472","","","0.71073","MoKα","","0.3585","0.0765","","","0.1338","0.2188","","","","","","0.892","","","","has coordinates","226916","2020-10-21","18:00:00",""
"4035462","7.765","0.005","8.873","0.006","9.701","0.01","104.552","0.013","105.653","0.014","109.975","0.009","559.6","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C26 H30 O6 -","1","0.5","","Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da","Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.","The Journal of organic chemistry","2018","83","7","4147","4152","10.1021/acs.joc.8b00073","","","0.71073","MoKα","","0.0653","0.0498","","","0.157","0.1749","","","","","","0.991","","","","has coordinates","226917","2020-10-21","18:00:00",""
"4035463","12.456","0.003","7.819","0.0019","16.034","0.004","90","","97.129","0.004","90","","1549.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da","Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.","The Journal of organic chemistry","2018","83","7","4147","4152","10.1021/acs.joc.8b00073","","","0.71073","MoKα","","0.0684","0.0456","","","0.1407","0.1648","","","","","","1.083","","","","has coordinates","226918","2020-10-21","18:00:00",""
"4035464","18.7921","0.0002","27.7246","0.0004","7.6833","0.0001","90","","90","","90","","4003.03","0.09","100.01","0.1","100.01","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C34 H18 -","- C34 H18 -","- C272 H144 -","8","2","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.037","0.0337","","","0.0872","0.0896","","","","","","1.032","","","","has coordinates","226919","2020-10-21","18:00:00",""
"4035465","7.3866","0.0003","17.1147","0.0006","17.5278","0.0005","79.631","0.003","83.64","0.003","89.884","0.003","2165.89","0.13","99.99","0.13","99.99","0.13","","","","","","","","2","P 1","P 1","1","","","","- C35.75 H20 -","- C35.75 H20 -","- C143 H80 -","4","4","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0843","0.073","","","0.1884","0.1981","","","","","","1.045","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035466","26.3604","0.0004","9.2591","0.0002","8.1138","0.0001","90","","90","","90","","1980.36","0.06","100.01","0.16","100.01","0.16","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0308","0.0292","","","0.0785","0.0798","","","","","","1.083","","","","has coordinates","226921","2020-10-21","18:00:00",""
"4035467","12.6402","0.0006","5.7117","0.0003","14.0248","0.0007","90","","94.438","0.005","90","","1009.51","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O2 S2 -","- C20 H26 N2 O2 S2 -","- C40 H52 N4 O4 S4 -","2","1","","Zhang, Lei; Sun, Beiqi; Liu, Qianyi; Mo, Fanyang","Addition of Diazo Compounds ipso-C-H Bond to Carbon Disulfide: Synthesis of 1,2,3-Thiadiazoles under Mild Conditions.","The Journal of organic chemistry","2018","83","7","4275","4278","10.1021/acs.joc.8b00383","","x-ray","0.71073","MoKα","","0.0362","0.0342","","","0.0894","0.0908","","","","","","1.04","","","","has coordinates","226922","2020-10-21","18:00:00",""
"4035468","52.9571","0.0012","8.5386","0.0002","11.2085","0.0003","90","","90.471","0.001","90","","5068.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0304","0.03","","","0.0789","0.0793","","","","","","1.045","","","","has coordinates","226923","2020-10-21","18:00:00",""
"4035469","52.9807","0.0017","8.7257","0.0003","11.2549","0.0004","90","","91.479","0.002","90","","5201.3","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0366","0.0358","","","0.1013","0.1028","","","","","","1.035","","","","has coordinates","226924","2020-10-21","18:00:00",""
"4035470","9.8978","0.0006","10.2382","0.0007","14.8927","0.001","70.864","0.001","81.893","0.001","62.465","0.001","1264.17","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H28 N2 O3 -","- C33 H27 N2 O3 -","- C66 H54 N4 O6 -","2","2","","Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Diastereoselective Construction of Indole-Bridged Chroman Spirooxindoles through a TfOH-Catalyzed Michael Addition-Inspired Cascade Reaction.","The Journal of organic chemistry","2018","83","7","3679","3687","10.1021/acs.joc.8b00035","","","0.71073","MoKα","","0.062","0.0549","","","0.1411","0.1474","","","","","","1.02","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4035471","9.3777","0.0009","10.5101","0.0012","13.0183","0.0013","90","","90","","90","","1283.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0489","0.0396","","","0.0998","0.1053","","","","","","1.051","","","","has coordinates","226926","2020-10-21","18:00:00",""
"4035472","6.2149","0.0017","5.5203","0.0015","19.393","0.005","90","","93.525","0.004","90","","664.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0548","0.0417","","","0.0892","0.0951","","","","","","1.054","","","","has coordinates","226927","2020-10-21","18:00:00",""
"4035473","5.334","0.0014","28.191","0.008","13.242","0.004","90","","90.465","0.004","90","","1991.1","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C84 H90 N18 O18 -","6","3","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.128","0.0618","","","0.1201","0.1519","","","","","","0.992","","","","has coordinates","226928","2020-10-21","18:00:00",""
"4035474","14.599","0.009","8.435","0.005","21.018","0.013","90","","95.832","0.011","90","","2575","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 B2 -","- C66 H74 B2 -","- C132 H148 B4 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0685","0.0495","","","0.1203","0.131","","","","","","1.051","","","","has coordinates,has disorder","226929","2020-10-21","18:00:00",""
"4035475","13.962","0.003","8.105","0.0016","23.041","0.01","90","","99.88","0.02","90","","2568.7","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 B2 -","- C66 H68 B2 -","- C132 H136 B4 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0662","0.052","","","0.1184","0.1246","","","","","","1.113","","","","has coordinates,has disorder","226930","2020-10-21","18:00:00",""
"4035476","40.616","0.011","9.877","0.003","17.437","0.005","90","","94.598","0.01","90","","6973","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H49.5 B2 N0.5 O4 -","- C37 H49.5 B2 N0.5 O4 -","- C296 H396 B16 N4 O32 -","8","1","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.1444","0.0785","","","0.206","0.2475","","","","","","1.047","","","","has coordinates,has disorder","226931","2020-10-21","18:00:00",""
"4035477","10.873","0.009","11.235","0.008","13.671","0.012","90","","105.1","0.03","90","","1612","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 B2 O4 -","- C36 H48 B2 O4 -","- C72 H96 B4 O8 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0546","0.0462","","","0.1172","0.1232","","","","","","1.061","","","","has coordinates","226932","2020-10-21","18:00:00",""
"4035478","7.8846","0.0003","11.677","0.0005","13.4919","0.0006","90","","99.108","0.004","90","","1226.52","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 O -","- C13 H11 Cl N4 O -","- C52 H44 Cl4 N16 O4 -","4","1","","Luo, Zheng; Jiang, Ziyang; Jiang, Wei; Lin, Dongen","C-H Amination of Purine Derivatives via Radical Oxidative Coupling.","The Journal of organic chemistry","2018","83","7","3710","3718","10.1021/acs.joc.8b00066","","x-ray","0.71073","MoKα","","0.0521","0.0402","","","0.0891","0.0967","","","","","","1.06","","","","has coordinates","226933","2020-10-21","18:00:00",""
"4035479","11.626","0.005","12.534","0.005","13.719","0.006","90","","95.573","0.007","90","","1989.7","1.5","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'2-O-tosyl-6-O-benzoyl-myo-inositol 1,3,5-orthoformate'","","- C21 H20 O9 S -","- C21 H20 O9 S -","- C84 H80 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.0849","0.0554","","","0.1241","0.1364","","","","","","1.036","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035480","6.8984","0.0012","36.23","0.007","8.3985","0.0015","90","","96.013","0.003","90","","2087.5","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'2,6-Di-O-(4-iodobenzoyl)-myo-inositol 1,3,5-orthoformate'","","- C21 H16 I2 O8 -","- C21 H16 I2 O8 -","- C84 H64 I8 O32 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.0353","0.0294","","","0.0619","0.0642","","","","","","1.083","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035481","6.8474","0.0015","11.558","0.003","13.858","0.003","108.274","0.004","98.891","0.004","90.87","0.004","1026.6","0.4","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","'2,6-di-O-(4-toluoyl) myo-inositol 1,3,5-orthoformate'","","- C23 H22 O8 -","- C23 H22 O8 -","- C46 H44 O16 -","2","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.1209","0.0775","","","0.1411","0.1571","","","","","","1.149","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035482","27.213","0.004","7.7759","0.0012","6.5598","0.001","90","","90","","90","","1388.1","0.4","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","","'2-O-(4-toluoyl)myo-inositol 1,3,5-orthoformate'","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.031","0.0293","","","0.0794","0.0808","","","","","","1.043","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035483","12.183","0.002","5.5641","0.0011","14.891","0.003","90","","104.08","0.03","90","","979.1","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H17 Cl O6 -","- C24 H17 Cl O6 -","- C48 H34 Cl2 O12 -","2","1","","Cui, Liying; Lv, Dan; Wang, Youming; Fan, Zhijin; Li, Zhengming; Zhou, Zhenghong","Asymmetric Formal [4 + 2] Annulation of o-Quinone Methides with β-Keto Acylpyrazoles: A General Approach to Optically Active trans-3,4-Dihydrocoumarins.","The Journal of organic chemistry","2018","83","7","4221","4228","10.1021/acs.joc.8b00234","","","0.71073","MoKα","","0.0784","0.0547","","","0.1165","0.1747","","","","","","1.053","","","","has coordinates","226935","2020-10-21","18:00:00",""
"4035484","10.0828","0.0004","31.5519","0.0011","9.4547","0.0005","90","","110.038","0.0013","90","","2825.8","0.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 O -","- C38 H28 O -","- C152 H112 O4 -","4","0.5","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71075","MoKα","","0.1209","0.0756","","","0.2014","0.2341","","","","","","1.099","","","","has coordinates","226936","2020-10-21","18:00:00",""
"4035485","16.589","0.001","9.0335","0.0004","20.6981","0.001","90","","94.977","0.007","90","","3090.1","0.3","200","","200","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C82 H76 O3 -","- C82 H76 O3 -","- C164 H152 O6 -","2","0.5","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71075","MoKα","","0.0882","0.053","","","0.1323","0.1491","","","","","","1.024","","","","has coordinates,has disorder","226937","2020-10-21","18:00:00",""
"4035486","22.5468","0.0019","10.4722","0.0009","7.3277","0.0005","90","","107.751","0.005","90","","1647.8","0.2","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0277","0.0274","","","0.0697","0.0699","","","","","","1.048","","","","has coordinates,has disorder","226938","2020-10-21","18:00:00",""
"4035487","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","226939","2020-10-21","18:00:00",""
"4035488","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","226940","2020-10-21","18:00:00",""
"4035489","6.2274","0.00018","14.7184","0.0005","20.121","0.0006","90","","90","","90","","1844.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0434","0.0399","","","0.1095","0.1153","","","","","","0.885","","","","has coordinates","226941","2020-10-21","18:00:00",""
"4035490","5.97161","0.00005","24.9992","0.0002","25.2644","0.0002","90","","90","","90","","3771.61","0.05","100","1","100","1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C168 H256 O32 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.0274","0.0266","","","0.091","0.0924","","","","","","0.873","","","","has coordinates","226942","2020-10-21","18:00:00",""
"4035491","8.722","0.0001","11.3175","0.0001","18.7629","0.0002","90","","90","","90","","1852.11","0.03","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.043","0.0427","","","0.112","0.1123","","","","","","1.02","","","","has coordinates,has disorder","226943","2020-10-21","18:00:00",""
"4035492","10.9916","0.0006","21.3314","0.0011","13.3154","0.0006","90","","99.544","0.002","90","","3078.8","0.3","296","","296","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F6 N2 O3 Ru S Sb -","- C27 H31 F6 N2 O3 Ru S Sb -","- C108 H124 F24 N8 O12 Ru4 S4 Sb4 -","4","1","","Tamizmani, Masilamani; Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Redox-Free [3 + 2] Cycloaddition of N-Sulfonyl Aromatic Aldimines with Maleimides.","The Journal of organic chemistry","2018","83","7","3746","3755","10.1021/acs.joc.8b00102","","","0.71073","MoKα","","0.1412","0.0678","","","0.1796","0.2304","","","","","","1.048","","","","has coordinates,has disorder","226944","2020-10-21","18:00:00",""
"4035493","14.4975","0.0012","25.501","0.002","14.6934","0.0012","90","","109.674","0.002","90","","5115","0.7","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80.9 H41.79 Al2 Cl1.79 F72 N2 O12 S2 -","- C80.892 H41.784 Al2 Cl1.784 F72 N2 O12 S2 -","- C161.784 H83.568 Al4 Cl3.568 F144 N4 O24 S4 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.1213","0.0933","","","0.2688","0.2895","","","","","","1.191","","","","has coordinates,has disorder","226945","2020-10-21","18:00:00",""
"4035494","11.3277","0.0005","16.5513","0.0007","26.5773","0.001","90","","90.3632","0.0013","90","","4982.8","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H44 Al2 F72 N2 O12 -","- C84.004 H44 Al2 F72.009 N2 O12.001 -","- C168.008 H88 Al4 F144.018 N4 O24.002 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.0761","0.0554","","","0.1374","0.1484","","","","","","1.077","","","","has coordinates,has disorder","226945","2020-10-21","18:00:00",""
"4035495","10.3012","0.0009","26.935","0.002","20.455","0.002","90","","101.508","0.003","90","","5561.4","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H68 Al2 F72 N2 O14 -","- C96 H68 Al2 F72 N2 O14 -","- C192 H136 Al4 F144 N4 O28 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.1132","0.0771","","","0.1502","0.1652","","","","","","1.145","","","","has coordinates","226945","2020-10-21","18:00:00",""
"4035496","11.6873","0.0003","15.3134","0.0003","14.6013","0.0004","90","","110.631","0.003","90","","2445.64","0.11","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","1","0.5","","Sun, Weiye; Gu, Haorui; Lin, Xufeng","Synthesis and Application of Hexamethyl-1,1'-spirobiindane-Based Phosphine-Oxazoline Ligands in Ni-Catalyzed Asymmetric Arylation of Cyclic Aldimines.","The Journal of organic chemistry","2018","83","7","4034","4043","10.1021/acs.joc.8b00422","","","1.54184","CuKα","","0.0637","0.0585","","","0.1537","0.1623","","","","","","1.046","","","","has coordinates","226946","2020-10-21","18:00:00",""
"4035497","4.5911","0.0002","14.4019","0.0004","12.1555","0.0004","90","","90.25","0.003","90","","803.72","0.05","297.28","0.12","297.28","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","","Guo, Shenghai; Wang, Fang; Tao, Li; Zhang, Xinying; Fan, Xuesen","Solvent-Dependent Copper-Catalyzed Indolyl C3-Oxygenation and N1-Cyclization Reactions: Selective Synthesis of 3 H-Indol-3-ones and Indolo[1,2- c]quinazolines.","The Journal of organic chemistry","2018","83","7","3889","3896","10.1021/acs.joc.8b00231","","","1.54184","CuKα","","0.0512","0.0446","","","0.1108","0.1167","","","","","","1.048","","","","has coordinates","226947","2020-10-21","18:00:00",""
"4035498","4.6227","0.0008","11.994","0.002","13.207","0.002","98.937","0.015","97.255","0.015","94.801","0.014","713.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CCDC 1540291_Compound 1_SB55_2_a","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.7153","synchrotron","","0.0734","0.0663","","","0.1682","0.1756","","","","","","1.036","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035499","6.488","0.01","38.42","0.06","6.892","0.01","90","","92.78","0.05","90","","1716","5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CCDC 1540293_Compound 3_SB20_2ndcrystal_0m","","","- C38 H54 N4 O11 -","- C38 H40 N4 O10 -","- C76 H80 N8 O20 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0772","0.0502","","","0.1331","0.1479","","","","","","1.026","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035500","13.222","0.008","8.278","0.006","18.419","0.01","90","","104.06","0.018","90","","1956","2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CCDC 1540294_Compound 5_SB22_fromTHF","","","- C42 H62 N4 O11 -","- C42 H48 N4 O10 -","- C84 H96 N8 O20 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0479","0.0405","","","0.1357","0.1473","","","","","","1.258","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035501","5.0825","0.0012","10.495","0.003","13.156","0.003","90","","100.552","0.009","90","","689.9","0.3","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CCDC 1540292_Compound 6_SB97d_2_0m","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0935","0.0744","","","0.1963","0.2159","","","","","","1.101","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035502","8.4637","0.0018","10.759","0.002","12.736","0.002","81.726","0.006","82.755","0.006","79.692","0.006","1123.1","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione","1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Panday, Anoop Kumar; Mishra, Richa; Jana, Asim; Parvin, Tasneem; Choudhury, Lokman H.","Synthesis of Pyrimidine Fused Quinolines by Ligand-Free Copper-Catalyzed Domino Reactions.","The Journal of organic chemistry","2018","83","7","3624","3632","10.1021/acs.joc.7b03272","","","0.71073","MoKα","","0.1265","0.0638","","","0.1428","0.1808","","","","","","1.02","","","","has coordinates","226950","2020-10-21","18:00:00",""
"4035503","16.2526","0.0004","16.9979","0.0005","14.2159","0.0005","90","","90","","90","","3927.3","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H21.25 N O5.25 -","- C22 H21.25 N O5.25 -","- C176 H170 N8 O42 -","8","1","","Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.","The Journal of organic chemistry","2018","83","7","3840","3856","10.1021/acs.joc.8b00194","","","1.54178","CuKα","","0.09","0.0539","","","0.1471","0.1808","","","","","","1","","","","has coordinates","226951","2020-10-21","18:00:00",""
"4035504","10.9048","0.0001","11.1714","0.0001","17.3132","0.0001","90","","95.541","0.001","90","","2099.27","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-cyano-1-methyl-3-(4-methoxyphenyl)-2-(2-phenylsulfonylethyl)piperidine","","- C22 H24 N2 O3 S -","- C22 H24 N2 O3 S -","- C88 H96 N8 O12 S4 -","4","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0494","0.0444","","","0.1302","0.1368","","","","","","1.064","","","","has coordinates","226952","2020-10-21","18:00:00",""
"4035505","7.1292","0.0001","9.773","0.0001","21.1929","0.0002","90","","95.177","0.001","90","","1470.56","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-cyano-2-(2-cyanoethyl)1-methyl-3-phenylpiperidine","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0483","0.0433","","","0.1249","0.1309","","","","","","1.063","","","","has coordinates","226953","2020-10-21","18:00:00",""
"4035506","7.8725","0.0002","10.546","0.0003","12.3593","0.0002","95.609","0.002","97.192","0.002","108.834","0.002","953.04","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(2-tert-butoxycarbonylethyl)-2-cyano-1-methyl-3-phenylpiperidine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C40 H56 N4 O4 -","2","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0759","0.0713","","","0.2206","0.2277","","","","","","1.081","","","","has coordinates,has disorder","226954","2020-10-21","18:00:00",""
"4035507","6.2916","0.0007","11.2924","0.0017","29.789","0.006","90","","90","","90","","2116.4","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O2 S -","- C25 H30 O2 S -","- C100 H120 O8 S4 -","4","1","","Berthonneau, Clément; Nun, Pierrick; Rivière, Matthieu; Pauvert, Mickael; Dénès, Fabrice; Lebreton, Jacques","Hemisynthesis of 2,3,4-<sup>13</sup>C3-1,4-Androstadien-3,17-dione: A Key Precursor for the Synthesis of <sup>13</sup>C3-Androstanes and <sup>13</sup>C3-Estranes.","The Journal of organic chemistry","2018","83","7","3727","3737","10.1021/acs.joc.7b03216","","x-ray","0.71069","MoKα","","0.1118","0.0531","","","0.054","0.0576","","","","1.42","1.42","1.21","","","","has coordinates","226955","2020-10-21","18:00:00",""
"4035508","15.832","0.004","17.439","0.005","19.676","0.006","90","","90","","90","","5432","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Barak, Dinesh S.; Dighe, Shashikant U.; Avasthi, Ilesha; Batra, Sanjay","Iodine-Catalyzed Diazenylation with Arylhydrazine Hydrochlorides in Air.","The Journal of organic chemistry","2018","83","7","3537","3546","10.1021/acs.joc.7b03149","","","0.71073","MoKα","","0.0509","0.041","","","0.103","0.1096","","","","","","1.023","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035509","9.713","0.0002","25.253","0.0006","9.834","0.0003","90","","104.922","0.0009","90","","2330.76","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 N4 O2 S -","- C21 H34 N4 O2 S -","- C84 H136 N16 O8 S4 -","4","1","","Sakaine, Guna; Smits, Gints","Modified Julia-Kocienski Reagents for a Stereoselective Introduction of Trisubstituted Double Bonds: A Formal Total Synthesis of Limazepine E and Barmumycin.","The Journal of organic chemistry","2018","83","9","5323","5330","10.1021/acs.joc.8b00643","","","0.71073","MoKα","","0.1345","0.0732","","","0.1712","0.2033","","","","","","1.002","","","","has coordinates","226957","2020-10-21","18:00:00",""
"4035510","8.5915","0.0002","7.48777","0.00015","12.7605","0.0004","90","","108.58","0.003","90","","778.11","0.04","100","0.3","100","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Arachchige, Pandula T Kirinde; Lee, Hanbin; Yi, Chae S.","Synthesis of Symmetric and Unsymmetric Secondary Amines from the Ligand-Promoted Ruthenium-Catalyzed Deaminative Coupling Reaction of Primary Amines.","The Journal of organic chemistry","2018","83","9","4932","4947","10.1021/acs.joc.8b00649","","x-ray","1.54184","CuKα","","0.0321","0.0294","","","0.0711","0.0732","","","","","","1.064","","","","has coordinates","226958","2020-10-21","18:00:00",""
"4035511","7.2837","0.0003","8.587","0.0003","24.8197","0.0009","90","","90.172","0.001","90","","1552.34","0.1","102","2","102","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ANB","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Baumann, Andreas N.; Schüppel, Franziska; Eisold, Michael; Kreppel, Andrea; de Vivie-Riedle, Regina; Didier, Dorian","Oxidative Ring Contraction of Cyclobutenes: General Approach to Cyclopropylketones including Mechanistic Insights.","The Journal of organic chemistry","2018","83","9","4905","4921","10.1021/acs.joc.8b00297","","","0.71073","MoKα","","0.0464","0.0389","","","0.0957","0.1012","","","","","","1.055","","","","has coordinates","226959","2020-10-21","18:00:00",""
"4035512","7.3288","0.0004","16.8413","0.0008","8.2232","0.0005","90","","101.669","0.002","90","","993.98","0.09","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ANB-461","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Baumann, Andreas N.; Schüppel, Franziska; Eisold, Michael; Kreppel, Andrea; de Vivie-Riedle, Regina; Didier, Dorian","Oxidative Ring Contraction of Cyclobutenes: General Approach to Cyclopropylketones including Mechanistic Insights.","The Journal of organic chemistry","2018","83","9","4905","4921","10.1021/acs.joc.8b00297","","","0.71073","MoKα","","0.0418","0.0363","","","0.0886","0.092","","","","","","1.082","","","","has coordinates","226960","2020-10-21","18:00:00",""
"4035513","8.3683","0.0005","16.217","0.001","15.0187","0.001","90","","101.183","0.003","90","","1999.5","0.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Xu, Meng-Meng; Wang, Hai-Qing; Mao, Yu-Jia; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Cooperative Catalysis-Enabled Asymmetric α-Arylation of Aldehydes Using 2-Indolylmethanols as Arylation Reagents.","The Journal of organic chemistry","2018","83","9","5027","5034","10.1021/acs.joc.8b00228","","","1.54178","CuKα","","0.0945","0.0724","","","0.1878","0.2158","","","","","","1.017","","","","has coordinates","226961","2020-10-21","18:00:00",""
"4035514","13.2178","0.0005","12.0114","0.0005","14.7654","0.0006","90","","107.36","0.001","90","","2237.44","0.16","96","2","96","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 B F2 N2 Se2 -","- C26 H21 B F2 N2 Se2 -","- C104 H84 B4 F8 N8 Se8 -","4","1","","Taguchi, Daisuke; Nakamura, Takashi; Horiuchi, Hiroaki; Saikawa, Makoto; Nabeshima, Tatsuya","Synthesis and Unique Optical Properties of Selenophenyl BODIPYs and Their Linear Oligomers.","The Journal of organic chemistry","2018","83","9","5331","5337","10.1021/acs.joc.8b00782","","","0.71073","MoKα","","0.0515","0.0398","","","0.1361","0.1492","","","","","","1.206","","","","has coordinates,has disorder","226962","2020-10-21","18:00:00",""
"4035515","10.53852","0.00015","11.82433","0.00016","14.4092","0.0002","90","","90","","90","","1795.54","0.04","291","2","291.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Weng, Yunxiang; Kuai, Changsheng; Lv, Weiwei; Cheng, Guolin","Synthesis of 2-Aminopyridines via a Base-Promoted Cascade Reaction of N-Propargylic β-Enaminones with Formamides.","The Journal of organic chemistry","2018","83","9","5002","5008","10.1021/acs.joc.8b00128","","","1.54184","CuKα","","0.0351","0.0331","","","0.0841","0.0857","","","","","","1.071","","","","has coordinates","226963","2020-10-21","18:00:00",""
"4035516","6.9058","0.0007","18.5704","0.0012","31.694","0.004","90","","90","","90","","4064.5","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R)-3-(4-Chlorophenyl)-5-oxo-2-phenyl-3,5-dihydro-2H-cyclopenta[a]naphthalene-1-carbaldehyde","","- C26 H17 Cl O2 -","- C26 H17 Cl O2 -","- C208 H136 Cl8 O16 -","8","2","","Skrzyńska, Anna; Romaniszyn, Marta; Pomikło, Dominika; Albrecht, Łukasz","The Application of 2-Benzyl-1,4-naphthoquinones as Pronucleophiles in Aminocatalytic Synthesis of Tricyclic Derivatives.","The Journal of organic chemistry","2018","83","9","5019","5026","10.1021/acs.joc.8b00170","","x-ray","1.54184","CuKα","","0.1321","0.0639","","","0.1344","0.1682","","","","","","0.983","","","","has coordinates,has disorder","226964","2020-10-21","18:00:00",""
"4035517","7.9924","0.0004","10.8848","0.0005","12.0467","0.0005","90","","90","","90","","1048.01","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6S,9aS)-6-Hydroxymethyl-8-methyl-1,2,3,6,9,9a-hexahydroquinolizin-4(4H)-one","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","1","","Alujas-Burgos, Sílvia; Oliveras-González, Cristina; Álvarez-Larena, Ángel; Bayón, Pau; Figueredo, Marta","Iterative Synthetic Strategy for Azaphenalene Alkaloids. Total Synthesis of (-)-9a epi-Hippocasine.","The Journal of organic chemistry","2018","83","9","5052","5057","10.1021/acs.joc.8b00390","","","0.71073","MoKα","","0.0398","0.0388","","","0.1013","0.1024","","","","","","1.064","","","","has coordinates","226965","2020-10-21","18:00:00",""
"4035518","4.459","0.0017","17.667","0.007","24.108","0.009","90","","93.963","0.006","90","","1894.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F2 N3 O4 -","- C21 H17 F2 N3 O4 -","- C84 H68 F8 N12 O16 -","4","1","","Zhang, Cong-Hai; Huang, Rong; Hu, Xing-Mei; Lin, Jun; Yan, Sheng-Jiao","Three-Component Site-Selective Synthesis of Highly Substituted 5 H-Chromeno-[4,3- b]pyridines.","The Journal of organic chemistry","2018","83","9","4981","4989","10.1021/acs.joc.8b00099","","","0.71073","MoKα","","0.1506","0.0534","","","0.1088","0.1499","","","","","","0.935","","","","has coordinates","226966","2020-10-21","18:00:00",""
"4035519","9.1723","0.0007","9.2651","0.0007","13.5282","0.001","90","","90.6996","0.0009","90","","1149.57","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0388","0.036","","","0.0942","0.097","","","","","","1.033","","","","has coordinates","226967","2020-10-21","18:00:00",""
"4035520","14.2891","0.0018","18.831","0.002","7.4133","0.001","90","","98.248","0.002","90","","1974.1","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C100 H80 N16 O8 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0604","0.0457","","","0.0687","0.0708","","","","","","1.724","","","","has coordinates,has disorder","226968","2020-10-21","18:00:00",""
"4035521","12.3518","0.0005","10.0455","0.0004","13.0967","0.0005","90","","115.559","0.0004","90","","1466.01","0.1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N4 O -","- C16 H11 Br N4 O -","- C64 H44 Br4 N16 O4 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0205","0.019","","","0.0475","0.0481","","","","","","1.002","","","","has coordinates","226969","2020-10-21","18:00:00",""
"4035522","8.4077","0.0005","16.3992","0.0009","12.0895","0.0006","90","","108.711","0.0006","90","","1578.79","0.15","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N5 O3 -","- C17 H13 N5 O3 -","- C68 H52 N20 O12 -","4","2","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0328","0.0315","","","0.0752","0.0761","","","","","","1.006","","","","has coordinates","226970","2020-10-21","18:00:00",""
"4035523","7.1531","0.0005","9.1337","0.0006","11.3187","0.0008","70.2601","0.0007","80.8817","0.0008","87.0438","0.0008","687.25","0.08","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C32 H24 N8 -","2","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0456","0.04","","","0.1075","0.1127","","","","","","1.045","","","","has coordinates","226971","2020-10-21","18:00:00",""
"4035524","37.707","0.004","6.6383","0.0007","24.854","0.003","90","","90","","90","","6221.2","1.2","103","2","103","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 N4 -","- C19 H20 N4 -","- C304 H320 N64 -","16","4","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0767","0.0536","","","0.1186","0.1315","","","","","","1.023","","","","has coordinates","226972","2020-10-21","18:00:00",""
"4035525","10.7535","0.0005","6.972","0.0003","12.657","0.0006","90","","110.71","0.002","90","","887.62","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide","","- C18 H33 N O3 -","- C18 H33 N O3 -","- C36 H66 N2 O6 -","2","1","","Novaes, Luiz F. T.; Gonçalves, Kaliandra de Almeida; Trivella, Daniela B. B.; Pastre, Julio C.","Formal Total Synthesis of Actinoranone: Synthesis Approaches and Cytotoxic Studies.","The Journal of organic chemistry","2018","83","9","5160","5176","10.1021/acs.joc.8b00514","","","1.54184","CuKα","","0.0349","0.0341","","","0.1014","0.1034","","","","","","0.9079","","","","has coordinates","226973","2020-10-21","18:00:00",""
"4035526","23.4985","0.0005","7.79477","0.00015","16.7618","0.0003","90","","123.364","0.009","90","","2564.2","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O4 S -","- C13 H11 N O4 S -","- C104 H88 N8 O32 S8 -","8","1","","Higashimae, Shinya; Kurata, Daichi; Kawaguchi, Shin-Ichi; Kodama, Shintaro; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","Palladium-Catalyzed Cyanothiolation of Internal Alkynes Using Organic Disulfides and tert-Butyl Isocyanide.","The Journal of organic chemistry","2018","83","9","5267","5273","10.1021/acs.joc.8b00052","","","0.71075","MoKα","","0.0377","0.0341","","","0.0871","0.0891","","","","","","1.074","","","","has coordinates","226974","2020-10-21","18:00:00",""
"4035527","8.07707","0.00017","15.3472","0.0003","13.2213","0.0003","90","","93.8705","0.0007","90","","1635.18","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N S -","- C21 H15 N S -","- C84 H60 N4 S4 -","4","1","","Higashimae, Shinya; Kurata, Daichi; Kawaguchi, Shin-Ichi; Kodama, Shintaro; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","Palladium-Catalyzed Cyanothiolation of Internal Alkynes Using Organic Disulfides and tert-Butyl Isocyanide.","The Journal of organic chemistry","2018","83","9","5267","5273","10.1021/acs.joc.8b00052","","","0.71075","MoKα","","0.0331","0.0314","","","0.082","0.0833","","","","","","1.073","","","","has coordinates","226975","2020-10-21","18:00:00",""
"4035528","11.3662","0.0004","12.1409","0.0003","12.5714","0.0004","90","","113.555","0.004","90","","1590.25","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Feng, Tian; Tian, Miaomiao; Zhang, Xinying; Fan, Xuesen","Tunable Synthesis of Functionalized Cyclohexa-1,3-dienes and 2-Aminobenzophenones/Benzoate from the Cascade Reactions of Allenic Ketones/Allenoate with Amines and Enones.","The Journal of organic chemistry","2018","83","9","5313","5322","10.1021/acs.joc.8b00473","","x-ray","1.54184","CuKα","","0.0525","0.0498","","","0.1329","0.1361","","","","","","1.039","","","","has coordinates","226976","2020-10-21","18:00:00",""
"4035529","14.4278","0.0006","8.5062","0.0004","15.9293","0.0007","90","","95.522","0.001","90","","1945.86","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Cui, Zhihao; Du, Da-Ming","FeCl<sub>2</sub>-Catalyzed Decarboxylative Radical Alkylation/Cyclization of Cinnamamides: Access to Dihydroquinolinone and Pyrrolo[1,2- a]indole Analogues.","The Journal of organic chemistry","2018","83","9","5149","5159","10.1021/acs.joc.8b00511","","","0.71073","MoKα","","0.0501","0.0428","","","0.1187","0.1241","","","","","","1.052","","","","has coordinates","226977","2020-10-21","18:00:00",""
"4035530","6.4707","0.0015","8.0625","0.0018","20.651","0.005","94.171","0.007","97.073","0.007","98.941","0.007","1051.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C54 H40 N4 O6 -","2","1","","Cui, Zhihao; Du, Da-Ming","FeCl<sub>2</sub>-Catalyzed Decarboxylative Radical Alkylation/Cyclization of Cinnamamides: Access to Dihydroquinolinone and Pyrrolo[1,2- a]indole Analogues.","The Journal of organic chemistry","2018","83","9","5149","5159","10.1021/acs.joc.8b00511","","","0.71073","MoKα","","0.0519","0.0385","","","0.1001","0.107","","","","","","1.034","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035531","5.66017","0.00017","14.8733","0.0005","15.3378","0.0005","90","","90","","90","","1291.22","0.07","135","","135","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Jia, Lei; Tang, Qiang; Luo, Meiming; Zeng, Xiaoming","Direct ortho-Selective Amination of 2-Naphthol and Its Analogues with Hydrazines.","The Journal of organic chemistry","2018","83","9","5082","5091","10.1021/acs.joc.8b00421","","","0.7107","MoKα","","0.0449","0.0369","","","0.0804","0.0857","","","","","","1.035","","","","has coordinates","226979","2020-10-21","18:00:00",""
"4035532","10.854","0.0005","5.5969","0.0003","15.0011","0.0009","90","","107.715","0.006","90","","868.09","0.09","293","2","293","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","Unknown","","- C18 H16 Br N O5 -","- C18 H16 Br N O5 -","- C36 H32 Br2 N2 O10 -","2","1","","Mondal, Keshab; Pan, Subhas Chandra","Organocatalytic Asymmetric Domino Michael/Acyl Transfer Reaction between γ/δ-Hydroxyenones and α-Nitroketones.","The Journal of organic chemistry","2018","83","9","5301","5312","10.1021/acs.joc.8b00436","","x-ray","0.71073","MoKα","","0.0592","0.0411","","","0.0834","0.0946","","","","","","1.034","","","","has coordinates","226980","2020-10-21","18:00:00",""
"4035533","13.0387","0.001","11.8758","0.0008","21.3053","0.0016","90","","93.76","0.006","90","","3291.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C168 H152 N8 -","4","1","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.1495","0.0583","","","0.1337","0.1676","","","","","","0.892","","","","has coordinates","226981","2020-10-21","18:00:00",""
"4035534","21.3199","0.001","17.6128","0.0008","17.2985","0.0008","90","","95.5","0.003","90","","6465.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C336 H304 N16 -","8","2","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.1414","0.0666","","","0.156","0.1857","","","","","","0.971","","","","has coordinates","226982","2020-10-21","18:00:00",""
"4035535","10.5709","0.0005","12.2106","0.0006","13.44","0.0006","107.16","0.002","103.112","0.002","90.668","0.003","1608.59","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H40 N2 -","- C42 H40 N2 -","- C84 H80 N4 -","2","1","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.0658","0.0458","","","0.1225","0.1336","","","","","","1.102","","","","has coordinates","226983","2020-10-21","18:00:00",""
"4035536","15.0047","0.0002","12.1799","0.0002","21.4763","0.0003","90","","95.513","0.001","90","","3906.76","0.1","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","ON-892a","","- C30 H19 N -","- C30 H19 N -","- C240 H152 N8 -","8","1","","Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.","The Journal of organic chemistry","2018","83","15","7994","8002","10.1021/acs.joc.8b00870","","x-ray","1.54184","CuKα","","0.0497","0.048","","","0.1358","0.1389","","","","","","1.043","","","","has coordinates","226984","2020-10-21","18:00:00",""
"4035537","25.919","0.001","5.9148","0.0002","26.2477","0.0009","90","","107.283","0.004","90","","3842.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N -","- C30 H19 N -","- C240 H152 N8 -","8","1","","Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.","The Journal of organic chemistry","2018","83","15","7994","8002","10.1021/acs.joc.8b00870","","x-ray","1.54184","CuKα","","0.0542","0.051","","","0.1475","0.1507","","","","","","1.102","","","","has coordinates","226985","2020-10-21","18:00:00",""
"4035538","11.9891","0.0002","18.6415","0.0003","8.07137","0.00018","90","","100.274","0.002","90","","1774.99","0.06","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Wang, Lun; Liu, Lingyan; Chang, Weixing; Li, Jing","The Divergent Cascade Reactions of Arylalkynols with Homopropargylic Amines or Electron-Deficient Olefins: Access to the Spiro-Isobenzofuran- b-pyrroloquinolines or Bridged-Isobenzofuran Polycycles.","The Journal of organic chemistry","2018","83","15","7799","7813","10.1021/acs.joc.8b00691","","x-ray","0.71073","MoKα","","0.042","0.0377","","","0.1017","0.1049","","","","","","1.037","","","","has coordinates","226986","2020-10-21","18:00:00",""
"4035539","12.8526","0.0007","8.4407","0.0005","15.2915","0.0009","90","","114.037","0.003","90","","1515.04","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Manna, Manash Kumar; Bairy, Gurupada; Jana, Ranjan","Sterically Controlled Ru(II)-Catalyzed Divergent Synthesis of 2-Methylindoles and Indolines through a C-H Allylation/Cyclization Cascade.","The Journal of organic chemistry","2018","83","15","8390","8400","10.1021/acs.joc.8b01034","","","0.71073","MoKα","","0.0496","0.0369","","","0.0968","0.1106","","","","","","1.027","","","","has coordinates","226987","2020-10-21","18:00:00",""
"4035540","8.5108","0.0008","10.6364","0.001","15.0701","0.0014","72.087","0.003","79.361","0.003","70.237","0.003","1216.7","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","2","","Manna, Manash Kumar; Bairy, Gurupada; Jana, Ranjan","Sterically Controlled Ru(II)-Catalyzed Divergent Synthesis of 2-Methylindoles and Indolines through a C-H Allylation/Cyclization Cascade.","The Journal of organic chemistry","2018","83","15","8390","8400","10.1021/acs.joc.8b01034","","","0.71073","MoKα","","0.0441","0.0372","","","0.0925","0.0993","","","","","","1.033","","","","has coordinates","226988","2020-10-21","18:00:00",""
"4035541","9.299","0.003","26.511","0.008","17.725","0.005","90","","96.699","0.004","90","","4340","2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H66 B2 O2 -","- C47 H66 B2 O2 -","- C188 H264 B8 O8 -","4","1","","Ito, Masato; Ito, Emi; Hirai, Masato; Yamaguchi, Shigehiro","Donor-π-Acceptor Type Unsymmetrical Triarylborane-Based Fluorophores: Synthesis, Fluorescence Properties, and Photostability.","The Journal of organic chemistry","2018","83","15","8449","8456","10.1021/acs.joc.8b01015","","","0.71075","MoKα","","0.1332","0.0709","","","0.1271","0.1573","","","","","","1.062","","","","has coordinates,has disorder","226989","2020-10-21","18:00:00",""
"4035542","21.9246","0.0007","15.7608","0.0005","6.6049","0.0002","90","","90","","90","","2282.32","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0556","0.053","","","0.1627","0.1646","","","","","","1.033","","","","has coordinates","226990","2020-10-21","18:00:00",""
"4035543","7.01728","0.00018","8.2752","0.0002","10.7566","0.0003","93.959","0.002","106.285","0.002","95.686","0.002","593.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","1","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.071","0.0711","","","","","","1.038","","","","has coordinates","226991","2020-10-21","18:00:00",""
"4035544","11.0275","0.0001","11.0275","0.0001","38.1512","0.0005","90","","90","","90","","4639.41","0.09","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C208 H232 N24 O24 -","8","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0435","0.042","","","0.1071","0.1083","","","","","","1.054","","","","has coordinates","226992","2020-10-21","18:00:00",""
"4035545","8.149","0.0001","9.8593","0.0001","28.656","0.0002","90","","90","","90","","2302.32","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O4 -","- C26 H28 N3 O4 -","- C104 H112 N12 O16 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0756","0.0738","","","0.1731","0.1749","","","","","","1.034","","","","has coordinates,has disorder","226993","2020-10-21","18:00:00",""
"4035546","13.163","0.005","10.966","0.004","11.325","0.004","90","","94.79","0.008","90","","1629","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Fang, Kun; Li, Guijie; She, Yuanbin","Metal-Free Aerobic Oxidation of Nitro-Substituted Alkylarenes to Carboxylic Acids or Benzyl Alcohols Promoted by NaOH.","The Journal of organic chemistry","2018","83","15","8092","8103","10.1021/acs.joc.8b00903","","","0.71073","MoKα","","0.0594","0.05","","","0.131","0.1372","","","","","","1.056","","","","has coordinates","226994","2020-10-21","18:00:00",""
"4035547","17.9614","0.001","8.0269","0.0005","19.3808","0.001","90","","90","","90","","2794.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C136 H88 F24 O16 -","8","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0891","0.0637","","","0.1626","0.1783","","","","","","1.038","","","","has coordinates","226995","2020-10-21","18:00:00",""
"4035548","7.2348","0.0003","35.4035","0.0014","12.1571","0.0005","90","","90.375","0.004","90","","3113.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 F6 O2 -","- C17 H8 F6 O2 -","- C136 H64 F48 O16 -","8","2","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","","0.71073","MoKα","","0.1002","0.0834","","","0.2579","0.2725","","","","","","1.021","","","","has coordinates","226996","2020-10-21","18:00:00",""
"4035549","12.4148","0.0005","7.9614","0.0004","14.3307","0.0006","90","","93.308","0.004","90","","1414.07","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C68 H44 F12 O8 -","4","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0736","0.0522","","","0.1237","0.1353","","","","","","1.053","","","","has coordinates","226997","2020-10-21","18:00:00",""
"4035550","9.9037","0.0002","10.3559","0.0002","12.202","0.0003","76.739","0.001","74.565","0.001","70.695","0.001","1124.66","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Fe N2 O2 Te -","- C27 H22 Fe N2 O2 Te -","- C54 H44 Fe2 N4 O4 Te2 -","2","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.0774","0.0528","","","0.1052","0.1193","","","","","","1.062","","","","has coordinates","226998","2020-10-21","18:00:00",""
"4035551","10.2491","0.0006","10.4201","0.0006","14.1625","0.0008","98.177","0.003","105.196","0.003","102.11","0.003","1395.62","0.14","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 Fe N2 O S2 -","- C34 H27 Fe N2 O S2 -","- C68 H54 Fe2 N4 O2 S4 -","2","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.0692","0.043","","","0.0878","0.097","","","","","","1.034","","","","has coordinates","226999","2020-10-21","18:00:00",""
"4035552","12.5422","0.0015","9.6419","0.0012","19.812","0.002","90","","97.568","0.004","90","","2375","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe N2 O3 Se -","- C28 H24 Fe N2 O3 Se -","- C112 H96 Fe4 N8 O12 Se4 -","4","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.1144","0.0671","","","0.1432","0.1662","","","","","","1.073","","","","has coordinates","227000","2020-10-21","18:00:00",""
"4035553","9.2482","0.0011","29.535","0.004","9.8061","0.0011","90","","108.106","0.004","90","","2545.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Fe N2 O S2 Se2 -","- C28 H20 Fe N2 O S2 Se2 -","- C112 H80 Fe4 N8 O4 S8 Se8 -","4","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.1148","0.0585","","","0.1191","0.1505","","","","","","0.779","","","","has coordinates","227001","2020-10-21","18:00:00",""
"4035554","22.07","0.005","6.411","0.003","11.639","0.003","90","","113.74","0.02","90","","1507.5","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Pinto, Alexandre; Piccichè, Miriam; Griera, Rosa; Molins, Elies; Bosch, Joan; Amat, Mercedes","Studies on the Synthesis of Phlegmarine-Type Lycopodium Alkaloids: Enantioselective Synthesis of (-)-Cermizine B, (+)-Serratezomine E, and (+)-Luciduline.","The Journal of organic chemistry","2018","83","15","8364","8375","10.1021/acs.joc.8b00983","","x-ray","0.71073","MoKα","","0.0751","0.0445","","","0.1056","0.1175","","","","","","1.065","","","","has coordinates","227002","2020-10-21","18:00:00",""
"4035555","10.3724","0.0006","14.9192","0.0009","20.5335","0.0012","74.817","0.005","76.036","0.005","83.497","0.005","2971.7","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H37 N O -","- C37 H37 N O -","- C148 H148 N4 O4 -","4","2","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Vijaya Anand, Ramasamy","Exploring Gold Catalysis in a 1,6-Conjugate Addition/Domino Electrophilic Cyclization Cascade: Synthesis of Cyclohepta[ b]indoles.","The Journal of organic chemistry","2018","83","15","8615","8626","10.1021/acs.joc.8b00607","","x-ray","0.71073","MoKα","","0.1905","0.0854","","","0.2055","0.292","","","","","","0.994","","","","has coordinates","227003","2020-10-21","18:00:00",""
"4035556","13.333","0.002","15.334","0.002","10.1707","0.0015","90","","105.845","0.004","90","","2000.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C100 H80 Br4 N4 O8 -","4","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0846","0.0513","","","0.1503","0.1707","","","","","","1.076","","","","has coordinates","227004","2020-10-21","18:00:00",""
"4035557","13.498","0.002","15.224","0.002","10.0932","0.0015","90","","105.787","0.004","90","","1995.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br2 N O2 -","- C24 H17 Br2 N O2 -","- C96 H68 Br8 N4 O8 -","4","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0888","0.0545","","","0.1502","0.1709","","","","","","1.025","","","","has coordinates","227005","2020-10-21","18:00:00",""
"4035558","31.317","0.011","6.319","0.002","19.015","0.006","90","","116.17","0.008","90","","3377.2","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Br Cl N O2 -","- C19 H15 Br Cl N O2 -","- C152 H120 Br8 Cl8 N8 O16 -","8","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0824","0.0486","","","0.1341","0.1673","","","","","","1.014","","","","has coordinates","227006","2020-10-21","18:00:00",""
"4035559","8.5428","0.0004","17.2873","0.0009","18.2419","0.0008","90","","90","","90","","2694","0.2","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O5 Si -","- C30 H30 O5 Si -","- C120 H120 O20 Si4 -","4","1","","Tanabe, Genzoh; Manse, Yoshiaki; Ogawa, Teppei; Sonoda, Naoki; Marumoto, Shinsuke; Ishikawa, Fumihiro; Ninomiya, Kiyofumi; Chaipech, Saowanee; Pongpiriyadacha, Yutana; Muraoka, Osamu; Morikawa, Toshio","Total Synthesis of γ-Alkylidenebutenolides, Potent Melanogenesis Inhibitors from Thai Medicinal Plant Melodorum fruticosum.","The Journal of organic chemistry","2018","83","15","8250","8264","10.1021/acs.joc.8b00986","","","0.71075","MoKα","","","0.0371","","","","0.0926","","","","","","0.763","","","","has coordinates","227007","2020-10-21","18:00:00",""
"4035560","5.4859","0.0002","7.6978","0.0002","16.1908","0.0005","78.393","0.002","80.255","0.002","87.923","0.002","660.08","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","DF2 - 17ALE001","","","- C13 H18 Cl N O4 -","- C13 H18 Cl N O4 -","- C26 H36 Cl2 N2 O8 -","2","2","","Rocha, Juliana F.; Freitas, David S.; Noro, Jennifer; Silva Teixeira, Carla S.; Sousa, Cristina E. A.; Alves, Maria J.; Cerqueira, Nuno M. F. S. A.","Total Stereoselective Michael Addition of N- and S- Nucleophiles to a d-Erythrosyl 1,5-Lactone Derivative. Experimental and Theoretical Studies Devoted to the Synthesis of 2,6-Dideoxy-4-functionalized-d- ribono-hexono-1,4-lactone.","The Journal of organic chemistry","2018","83","15","8011","8019","10.1021/acs.joc.8b00769","","","0.71073","MoKα","","0.0582","0.0434","","","0.0903","0.0969","","","","","","1.036","","","","has coordinates","227008","2020-10-21","18:00:00",""
"4035561","11.445","0.013","8.726","0.009","14.519","0.016","90","","102.75","0.05","90","","1414","3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 N O2 -","- C16 H11 Cl2 N O2 -","- C64 H44 Cl8 N4 O8 -","4","1","","Zhou, Rong; Zhang, Honghui; Liu, Jialin; Liu, Rongfang; Gao, Wen-Chao; Qiao, Yan; Li, Ruifeng","Chemoselective P(NMe<sub>2</sub>)<sub>3</sub>-Mediated Reductive Epoxidation between Two Different Carbonyl Electrophiles: Synthesis of Highly Functionalized Unsymmetrical Epoxides.","The Journal of organic chemistry","2018","83","15","8272","8280","10.1021/acs.joc.8b00995","","","0.71076","MoKα","","0.0389","0.032","","","0.0844","0.089","","","","","","1.048","","","","has coordinates","227009","2020-10-21","18:00:00",""
"4035562","8.7431","0.0003","10.3339","0.0003","26.7833","0.0009","90","","90","","90","","2419.88","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21.95 H33 F2.85 I0.05 O7 -","- C21.95 H33 F2.85 I0.05 O7 -","- C87.8 H132 F11.4 I0.2 O28 -","4","1","","Mestre, Jordi; Lishchynskyi, Anton; Castillón, Sergio; Boutureira, Omar","Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ""Ligandless"" CuCF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","8150","8160","10.1021/acs.joc.8b00927","","","0.71073","MoKα","","0.0375","0.0333","","","0.0867","0.0886","","","","","","1.053","","","","has coordinates,has disorder","227010","2020-10-21","18:00:00",""
"4035563","6.9858","0.0006","23.733","0.002","8.2231","0.0008","90","","90.395","0.003","90","","1363.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F4 N O2 -","- C14 H13 F4 N O2 -","- C56 H52 F16 N4 O8 -","4","1","","Mestre, Jordi; Lishchynskyi, Anton; Castillón, Sergio; Boutureira, Omar","Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ""Ligandless"" CuCF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","8150","8160","10.1021/acs.joc.8b00927","","","0.71073","MoKα","","0.0634","0.0479","","","0.1123","0.1208","","","","","","1.04","","","","has coordinates,has disorder","227011","2020-10-21","18:00:00",""
"4035564","7.43","0.002","12.034","0.003","21.281","0.006","85.531","0.006","80.177","0.005","81.927","0.005","1853.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C76 H72 N8 O16 S4 -","4","2","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.1538","0.0776","","","0.1323","0.1665","","","","","","1.022","","","","has coordinates","227012","2020-10-21","18:00:00",""
"4035565","10.668","0.0011","23.33","0.003","8.0236","0.0009","90","","99.37","0.01","90","","1970.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(3aS,7aS)-7a-tert-butyl-1-(methylsulfonyl)-3a,7a-dihydro-1H-indol-3-yl]","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","x-ray","1.54184","CuKα","","0.0815","0.0578","","","0.1234","0.1343","","","","","","1.042","","","","has coordinates","227013","2020-10-21","18:00:00",""
"4035566","13.97","0.002","32.97","0.005","7.0999","0.0011","90","","90","","90","","3270.1","0.8","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C144 H128 N16 O32 S8 -","8","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.0831","0.0652","","","0.1381","0.1468","","","","","","1.1","","","","has coordinates","227014","2020-10-21","18:00:00",""
"4035567","5.6732","0.0014","16.353","0.004","17.767","0.004","90","","90.125","0.004","90","","1648.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C72 H64 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.0797","0.0635","","","0.1349","0.1443","","","","","","1.07","","","","has coordinates","227015","2020-10-21","18:00:00",""
"4035568","20.142","0.003","8.359","0.002","12.4889","0.0017","90","","91.811","0.014","90","","2101.7","0.7","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl F N O2 S -","- C22 H23 Cl F N O2 S -","- C88 H92 Cl4 F4 N4 O8 S4 -","4","1","","Xiang, Yu; Li, Zining; Wang, Lu-Ning; Yu, Zhi-Xiang","TfOH- and HBF<sub>4</sub>-Mediated Formal Cycloisomerizations and [4+3] Cycloadditions of Allene-alkynylbenzenes.","The Journal of organic chemistry","2018","83","15","7633","7647","10.1021/acs.joc.8b00393","","","0.71073","MoKα","","0.1448","0.0626","","","0.0905","0.1249","","","","","","1.02","","","","has coordinates","227016","2020-10-21","18:00:00",""
"4035569","6.2637","0.0009","11.6536","0.0011","13.7124","0.0015","72.602","0.009","87.821","0.01","87.697","0.01","954","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 F N O2 S -","- C22 H24 F N O2 S -","- C44 H48 F2 N2 O4 S2 -","2","1","","Xiang, Yu; Li, Zining; Wang, Lu-Ning; Yu, Zhi-Xiang","TfOH- and HBF<sub>4</sub>-Mediated Formal Cycloisomerizations and [4+3] Cycloadditions of Allene-alkynylbenzenes.","The Journal of organic chemistry","2018","83","15","7633","7647","10.1021/acs.joc.8b00393","","","0.71073","MoKα","","0.11","0.0727","","","0.1574","0.1979","","","","","","1.036","","","","has coordinates","227017","2020-10-21","18:00:00",""
"4035570","9.4719","0.0004","24.5538","0.001","9.7594","0.0005","90","","113.578","0.006","90","","2080.27","0.19","100","0.1","100","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0439","0.0389","","","0.0978","0.1041","","","","","","1.061","","","","has coordinates","227018","2020-10-21","18:00:00",""
"4035571","9.15169","0.00016","16.2452","0.0002","24.955","0.0003","90","","90","","90","","3710.09","0.09","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0449","0.04","","","0.1053","0.1111","","","","","","1.076","","","","has coordinates","227019","2020-10-21","18:00:00",""
"4035572","15.6066","0.0004","11.2438","0.0002","22.0936","0.0005","90","","94.685","0.002","90","","3863.98","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.053","0.0432","","","0.1115","0.1217","","","","","","1.031","","","","has coordinates","227020","2020-10-21","18:00:00",""
"4035573","12.9746","0.0005","13.3439","0.0005","13.6301","0.0005","108.812","0.003","101.75","0.003","103.021","0.003","2076.35","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0602","0.0443","","","0.1145","0.1267","","","","","","1.052","","","","has coordinates","227021","2020-10-21","18:00:00",""
"4035574","10.06464","0.00015","13.935","0.0003","16.1031","0.0003","65.187","0.002","85.6988","0.0015","89.9095","0.0015","2043.09","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.044","0.0406","","","0.1041","0.1083","","","","","","1.052","","","","has coordinates","227022","2020-10-21","18:00:00",""
"4035575","7.7771","0.0003","21.9081","0.0004","7.8071","0.0002","90","","115.213","0.004","90","","1203.46","0.07","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","","Pandey, Khima; Rangan, Krishnan; Kumar, Anil","One-Pot Tandem Amidation, Knoevenagel Condensation, and Palladium-Catalyzed Wacker Type Oxidation/C-O Coupling: Synthesis of Chromeno-Annulated Imidazopyridines.","The Journal of organic chemistry","2018","83","15","8026","8035","10.1021/acs.joc.8b00884","","x-ray","1.54184","CuKα","","0.0385","0.0372","","","0.105","0.1062","","","","","","1.07","","","","has coordinates","227023","2020-10-21","18:00:00",""
"4035576","15.9281","0.0005","17.8665","0.0006","24.3461","0.0009","100.205","0.003","108.698","0.003","106.474","0.003","6013","0.4","290.89","0.1","290.89","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C290 H250 N10 O30 S10 -","10","5","","Bai, Li-Gang; Chen, Ming-Tao; Xiao, Dong-Rong; Zhao, Liu-Bin; Luo, Qun-Li","Access to Multisubstituted Furan-3-carbothioates via Cascade Annulation of α-Oxo Ketene Dithioacetals with Isoindoline-1,3-dione-Derived Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","7648","7658","10.1021/acs.joc.8b00401","","x-ray","1.54184","CuKα","","0.192","0.0728","","","0.2657","0.4348","","","","","","0.874","","","","has coordinates","227024","2020-10-21","18:00:00",""
"4035577","6.6234","0.0002","18.9368","0.0009","14.213","0.0006","90","","94.217","0.004","90","","1777.85","0.13","149.8","0.3","149.8","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-1,3-diphenylcyclopropyl)(piperidin-1-yl)methanone","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Edwards, Andrew; Rubin, Michael","Directed Cu(I)-Catalyzed Carbomagnesiation of 1-Arylcycloprop-2-ene-1-carboxamides En Route to Densely Substituted Functionalized Cyclopropanes.","The Journal of organic chemistry","2018","83","15","8426","8448","10.1021/acs.joc.8b01063","","x-ray","1.54184","CuKα","","0.0667","0.0587","","","0.1394","0.1451","","","","","","1.142","","","","has coordinates,has disorder","227025","2020-10-21","18:00:00",""
"4035578","14.9999","0.0002","7.56312","0.00008","17.996","0.0003","90","","113.275","0.0018","90","","1875.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Edwards, Andrew; Rubin, Michael","Directed Cu(I)-Catalyzed Carbomagnesiation of 1-Arylcycloprop-2-ene-1-carboxamides En Route to Densely Substituted Functionalized Cyclopropanes.","The Journal of organic chemistry","2018","83","15","8426","8448","10.1021/acs.joc.8b01063","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.0902","0.0942","","","","","","1.021","","","","has coordinates,has disorder","227026","2020-10-21","18:00:00",""
"4035579","14.64104","0.00018","14.06208","0.00016","18.3005","0.0002","90","","105.445","0.0013","90","","3631.71","0.08","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 O5 -","- C43 H32 O5 -","- C172 H128 O20 -","4","1","","Hayashi, Tomoya; Ohishi, Yuki; Hee-Soo, So; Abe, Hajime; Matsumoto, Shinya; Inouye, Masahiko","Spontaneous Helix Formation of "" meta""-Ethynylphenol Oligomers by Sequential Intramolecular Hydrogen Bonding inside the Cavities.","The Journal of organic chemistry","2018","83","15","8724","8730","10.1021/acs.joc.8b00996","","","1.54184","CuKα","","0.0617","0.0536","","","0.164","0.1722","","","","","","1.058","","","","has coordinates","227027","2020-10-21","18:00:00",""
"4035580","10.2355","0.0003","10.7883","0.0004","11.3643","0.0004","108.083","0.002","97.024","0.002","107.009","0.002","1108.94","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 B N6 O8 -","- C17 H23 B N6 O8 -","- C34 H46 B2 N12 O16 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Reactions of N-Heterocyclic Carbene Boranes with 5-Diazo-2,2-dimethyl-1,3-dioxane-4,6-dione: Synthesis of Mono- and Bis-hydrazonyl NHC-Boranes.","The Journal of organic chemistry","2018","83","15","8775","8779","10.1021/acs.joc.8b01125","","","1.54178","CuKα","","0.1053","0.0532","","","0.124","0.1477","","","","","","1.023","","","","has coordinates","227028","2020-10-21","18:00:00",""
"4035581","16.2482","0.0003","8.3987","0.0002","25.8","0.0006","90","","90","","90","","3520.76","0.13","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O2 S -","- C18 H20 Br N O2 S -","- C144 H160 Br8 N8 O16 S8 -","8","1","","Maiti, Saikat; Bose, Anima; Mal, Prasenjit","Oxidative N-Arylation for Carbazole Synthesis by C-C Bond Activation.","The Journal of organic chemistry","2018","83","15","8127","8138","10.1021/acs.joc.8b00921","","","0.71073","MoKα","","0.0665","0.0356","","","0.0826","0.0961","","","","","","1.011","","","","has coordinates","227029","2020-10-21","18:00:00",""
"4035582","12.693","0.005","17.549","0.007","10.385","0.004","90","","103.635","0.011","90","","2248.1","1.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O4 -","- C27 H24 N4 O4 -","- C108 H96 N16 O16 -","4","1","","Jin, Qiaomei; Zhang, Jian; Jiang, Cuihua; Zhang, Dongjian; Gao, Meng; Hu, Shihe","Self [3 + 4] Cycloadditions of Isatin N, N'-Cyclic Azomethine Imine 1,3-Dipole with N-( o-Chloromethyl)aryl Amides.","The Journal of organic chemistry","2018","83","15","8410","8416","10.1021/acs.joc.8b01055","","","0.71073","MoKα","","0.1148","0.0565","","","0.1311","0.168","","","","","","0.97","","","","has coordinates","227030","2020-10-21","18:00:00",""
"4035583","8.4804","0.0007","12.5579","0.0011","18.2886","0.0017","90","","102.799","0.006","90","","1899.3","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","1","","Thirupathi, Annaram; Janni, Manojkumar; Peruncheralathan, Saravanan","Copper Catalyzed Intramolecular N-Arylation of Ketene Aminals at Room Temperature: Synthesis of 2-Amino-3-cyanoindoles.","The Journal of organic chemistry","2018","83","15","8668","8678","10.1021/acs.joc.8b00816","","x-ray","0.71073","MoKα","","0.1367","0.0632","","","0.1402","0.184","","","","","","0.955","","","","has coordinates","227031","2020-10-21","18:00:00",""
"4035584","9.4287","0.0004","9.7444","0.0005","18.0606","0.0008","90","","103.808","0.002","90","","1611.4","0.13","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","","Thirupathi, Annaram; Janni, Manojkumar; Peruncheralathan, Saravanan","Copper Catalyzed Intramolecular N-Arylation of Ketene Aminals at Room Temperature: Synthesis of 2-Amino-3-cyanoindoles.","The Journal of organic chemistry","2018","83","15","8668","8678","10.1021/acs.joc.8b00816","","","0.71073","MoKα","","0.0762","0.0575","","","0.1957","0.2386","","","","","","0.937","","","","has coordinates","227032","2020-10-21","18:00:00",""
"4035585","31.1778","0.0017","9.74516","0.00016","17.5366","0.001","90","","136.127","0.01","90","","3692.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O2 S2 -","- C20 H18 N2 O2 S2 -","- C160 H144 N16 O16 S16 -","8","1","","Risso, Vesna; Farran, Daniel; Javierre, Guilhem; Naubron, Jean-Valère; Giorgi, Michel; Piras, Patrick; Jean, Marion; Vanthuyne, Nicolas; Fruttero, Roberta; Lorcy, Dominique; Roussel, Christian","Atropisomerism in a 10-Membered Ring with Multiple Chirality Axes: (3 Z,9 Z)-1,2,5,8-Dithiadiazecine-6,7(5 H,8 H)-dione Series.","The Journal of organic chemistry","2018","83","15","7566","7573","10.1021/acs.joc.8b01009","","x-ray","1.54184","CuKα","","0.0356","0.0321","","","0.1231","0.1288","","","","","","1.088","","","","has coordinates","227033","2020-10-21","18:00:00",""
"4035586","5.0522","0.0003","8.4389","0.0005","21.7226","0.0011","90","","90","","90","","926.14","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 N3 O -","- C10 H7 N3 O -","- C40 H28 N12 O4 -","4","1","","Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","2-Diazoacetyl-2 H-azirines: Source of a Variety of 2 H-Azirine Building Blocks with Orthogonal and Domino Reactivity.","The Journal of organic chemistry","2018","83","15","8304","8314","10.1021/acs.joc.8b01004","","x-ray","0.71073","MoKα","","0.0556","0.0508","","","0.1285","0.1315","","","","","","1.076","","","","has coordinates","227034","2020-10-21","18:00:00",""
"4035587","7.4368","0.0002","13.4944","0.0004","18.75","0.0006","90","","90","","90","","1881.66","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Hu, Xinyue; Zhou, Yuhang; Lu, Yan; Zou, Sijia; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Dioxopyrrolidines with Hetero-Substituted Alkenes.","The Journal of organic chemistry","2018","83","15","8679","8687","10.1021/acs.joc.8b00839","","x-ray","1.54184","CuKα","","0.061","0.055","","","0.1465","0.1548","","","","","","1.049","","","","has coordinates","227035","2020-10-21","18:00:00",""
"4035588","8.4687","0.0008","9.9801","0.0012","14.1033","0.0013","102.135","0.006","92.914","0.006","107.852","0.006","1100.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C50 H48 N4 O6 S2 -","2","1","","Chen, Xiaofeng; Fan, Jinbao; Zeng, Guangyao; Ma, Jinjin; Wang, Chenxi; Wang, Yajing; Zhou, Yingjun; Deng, Xu","Access to 3a-Benzoylmethyl Pyrrolidino[2,3- b]indolines via Cu<sup>II</sup>-Catalyzed Radical Annulation/C3-Functionalization Sequence.","The Journal of organic chemistry","2018","83","15","8322","8330","10.1021/acs.joc.8b01017","","","0.71073","MoKα","","0.1278","0.1116","","","0.3471","0.3572","","","","","","1.025","","","","has coordinates","227036","2020-10-21","18:00:00",""
"4035589","16.052","0.005","9.318","0.005","22.822","0.005","90","0.005","90.493","0.005","90","0.005","3413","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Br2 N3 Pd -","- C36 H39 Br2 N3 Pd -","- C144 H156 Br8 N12 Pd4 -","4","1","","Reddy Panyam, Pradeep Kumar; Ugale, Bharat; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene Catalyzed One-Pot Sequential α-Arylation/Alkylation: Access to 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2018","83","15","7622","7632","10.1021/acs.joc.8b00264","","","0.71073","MoKα","","0.054","0.0356","","","0.0716","0.0793","","","","","","1.055","","","","has coordinates","227037","2020-10-21","18:00:00",""
"4035590","16.9451","0.0012","31.169","0.002","9.0524","0.0006","90","","90","","90","","4781.1","0.6","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H48 Br4 N6 Pd2 -","- C41 H48 Br4 N6 Pd2 -","- C164 H192 Br16 N24 Pd8 -","4","0.5","","Reddy Panyam, Pradeep Kumar; Ugale, Bharat; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene Catalyzed One-Pot Sequential α-Arylation/Alkylation: Access to 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2018","83","15","7622","7632","10.1021/acs.joc.8b00264","","","0.71073","MoKα","","0.0475","0.0436","","","0.1108","0.1131","","","","","","1.135","","","","has coordinates","227038","2020-10-21","18:00:00",""
"4035591","5.8738","0.0008","13.747","0.0018","20.081","0.003","90","","96.776","0.002","90","","1610.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-5'-(4-tolyl)-2'H-spiro[indole-3,3'-pyrrolidine]-2,2'(1H)-dione","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Zaytsev, Sergey V.; Ivanov, Konstantin L.; Skvortsov, Dmitry A.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Nucleophilic Ring Opening of Donor-Acceptor Cyclopropanes with the Cyanate Ion: Access to Spiro[pyrrolidone-3,3'-oxindoles].","The Journal of organic chemistry","2018","83","15","8695","8709","10.1021/acs.joc.8b00922","","","0.71073","MoKα","","0.0709","0.0522","","","0.1217","0.1325","","","","","","1.041","","","","has coordinates,has disorder","227039","2020-10-21","18:00:00",""
"4035592","30.9223","0.0003","30.9223","0.0003","8.3338","0.0001","90","","90","","120","","6901.08","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","R 3 :H","R 3","146","","cleistoperlone B","","- C109 H103 Cl3 O24 -","- C109 H103 Cl3 O24 -","- C327 H309 Cl9 O72 -","3","0.333333","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0255","0.0255","","","0.0714","0.0714","","","","","","1.037","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4035593","24.7977","0.0003","13.2591","0.00016","18.0031","0.0002","90","","96.1889","0.0011","90","","5884.83","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","cleistoperlone A","","- C36 H34 O8 -","- C36 H34 O8 -","- C288 H272 O64 -","8","1","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0371","0.0341","","","0.0918","0.0944","","","","","","1.033","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4035594","10.9193","0.0003","24.6258","0.0006","11.4467","0.0003","90","","99.262","0.002","90","","3037.85","0.14","293","2","293","2","","","","","","","Cleistocalyx operculatus","3","P 1 21/n 1","-P 2yn","14","2',4'-dihydroxy-3',5'-dimethyl-6'-methoxychalcone","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","","1.54184","CuKα","","0.0655","0.0601","","","0.1704","0.1749","","","","","","1.082","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035595","10.2778","0.0004","10.3228","0.0005","12.3658","0.0006","112.387","0.005","105.71","0.004","92.527","0.004","1151.68","0.11","100","0.6","100","0.6","","","","","","","Cleistocalyx operculatus","3","P 1","P 1","1","operculatol A","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","2","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0815","0.0748","","","0.1996","0.2073","","","","","","1.071","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035596","12.5508","0.0018","4.7813","0.0007","20.425","0.003","90","","103.082","0.004","90","","1193.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F3 N O2 S -","- C12 H10 F3 N O2 S -","- C48 H40 F12 N4 O8 S4 -","4","1","","Wang, Rongkang; Jiang, Lvqi; Yi, Wenbin","Metal-Free Electrophilic Trifluoroethylthiolation with NaSO<sub>2</sub>CH<sub>2</sub>CF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","7789","7798","10.1021/acs.joc.8b00676","","","0.71073","MoKα","","0.0462","0.0346","","","0.0824","0.0879","","","","","","1.007","","","","has coordinates","227044","2020-10-21","18:00:00",""
"4035597","28.39","0.02","8.148","0.007","20.029","0.016","90","","100.78","0.03","90","","4551","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl2 N5 Ni O2.5 -","- C18 H17 Cl2 N5 Ni O2.5 -","- C144 H136 Cl16 N40 Ni8 O20 -","8","1","","Chakraborty, Mou; Sengupta, Debabrata; Saha, Tanushri; Goswami, Sreebrata","Ligand Redox-Controlled Tandem Synthesis of Azines from Aromatic Alcohols and Hydrazine in Air: One-Pot Synthesis of Phthalazine.","The Journal of organic chemistry","2018","83","15","7771","7778","10.1021/acs.joc.8b00661","","","0.71073","MoKα","","0.266","0.0857","","","0.1747","0.2587","","","","","","0.996","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4035598","7.7451","0.0002","14.5492","0.0005","15.9101","0.0005","90","","90","","90","","1792.83","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br I O S -","- C19 H14 Br I O S -","- C76 H56 Br4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.029","0.0229","","","0.0445","0.0459","","","","","","0.939","","","","has coordinates","227046","2020-10-21","18:00:00",""
"4035599","7.6988","0.0002","14.3742","0.0005","15.9878","0.0006","90","","90","","90","","1769.28","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl I O S -","- C19 H14 Cl I O S -","- C76 H56 Cl4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0478","0.0342","","","0.0768","0.096","","","","","","1.12","","","","has coordinates","227047","2020-10-21","18:00:00",""
"4035600","7.8851","0.0003","13.9461","0.0004","16.1582","0.0007","90","","90","","90","","1776.86","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl O2 S -","- C20 H17 Cl O2 S -","- C80 H68 Cl4 O8 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0664","0.0427","","","0.0906","0.1045","","","","","","1.07","","","","has coordinates","227049","2020-10-21","18:00:00",""
"4035601","10.6727","0.0002","12.2092","0.0002","15.0377","0.0002","90","","101.465","0.001","90","","1920.39","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.0436","0.04","","","0.1099","0.1129","","","","","","1.058","","","","has coordinates","227050","2020-10-21","18:00:00",""
"4035602","8.4787","0.0004","8.6972","0.0004","15.3983","0.0007","75.798","0.004","75.711","0.004","61.508","0.005","956.17","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C48 H44 N4 O4 -","2","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.039","0.0356","","","0.0924","0.0953","","","","","","1.06","","","","has coordinates","227051","2020-10-21","18:00:00",""
"4035603","9.6373","0.0003","9.6529","0.0003","11.2938","0.0004","104.087","0.003","108.553","0.003","93.234","0.002","955.79","0.06","293.48","0.1","293.48","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.0407","0.0351","","","0.0866","0.0909","","","","","","1.035","","","","has coordinates","227052","2020-10-21","18:00:00",""
"4035604","12.197","0.003","18.407","0.005","10.556","0.003","99.057","0.006","99.848","0.006","98.921","0.006","2265.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H132 Br4 O16 -","- C88 H132 Br4 O16 -","- C88 H132 Br4 O16 -","1","0.5","","Corradi, Silvia; Mazzoccanti, Giulia; Ghirga, Francesca; Quaglio, Deborah; Nevola, Laura; Massera, Chiara; Ugozzoli, Franco; Giannini, Giuseppe; Ciogli, Alessia; D'Acquarica, Ilaria","Synthesis of Bromoundecyl Resorc[4]arenes and Applications of the Cone Stereoisomer as Selector for Liquid Chromatography.","The Journal of organic chemistry","2018","83","15","7683","7693","10.1021/acs.joc.8b00488","","","0.71073","MoKα","","0.2636","0.1116","","","0.291","0.3495","","","","","","1.013","","","","has coordinates","227053","2020-10-21","18:00:00",""
"4035605","7.0293","0.0003","9.9371","0.0007","11.3882","0.0008","111.307","0.003","101.28","0.004","92.617","0.004","720.83","0.08","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C32 H40 Cl2 N2 O4 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Total Synthesis of (±)-Crinane from 6,6-Dibromobicyclo[3.1.0]hexane Using a 5- exo- trig Radical Cyclization Reaction to Assemble the C3a-Arylated Perhydroindole Substructure.","The Journal of organic chemistry","2018","83","15","8493","8498","10.1021/acs.joc.8b01088","","","0.71073","MoKα","","0.0596","0.0424","","0.1102","0.0997","0.1102","","","","","","0.9949","","","","has coordinates","227054","2020-10-21","18:00:00",""
"4035606","11.587","0.001","9.8447","0.0009","21.773","0.002","90","","103.624","0.004","90","","2413.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C124 H100 N4 O8 S4 -","4","1","","Chakraborty, Baitan; Jalal, Swapnadeep; Paul, Kartick; Kundal, Sandip; Jana, Umasish","Metal-Catalyzed Domino Synthesis of Benzophenanthridines and 6 H-Naphtho[2,3- c]-chromenes.","The Journal of organic chemistry","2018","83","15","8139","8149","10.1021/acs.joc.8b00924","","","0.71073","MoKα","","0.0573","0.0444","","","0.1152","0.1248","","","","","","1.035","","","","has coordinates","227055","2020-10-21","18:00:00",""
"4035607","22.1891","0.0017","6.3782","0.0006","19.734","0.002","90","","90.833","0.008","90","","2792.6","0.4","295.2","0.3","295.2","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N -","- C18 H17 N -","- C144 H136 N8 -","8","1","","Song, Xia; Gao, Cai; Li, Bin; Zhang, Xinying; Fan, Xuesen","Regioselective Synthesis of 2-Alkenylindoles and 2-Alkenylindole-3-carboxylates through the Cascade Reactions of N-Nitrosoanilines with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8509","8521","10.1021/acs.joc.8b01098","","x-ray","0.71073","MoKα","","0.0681","0.0596","","","0.1443","0.1517","","","","","","1.09","","","","has coordinates","227056","2020-10-21","18:00:00",""
"4035608","15.605","0.0018","12.3062","0.0014","9.1044","0.001","90","","116.98","0.003","90","","1558.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Mal, Abhijit; Wani, Imtiyaz Ahmad; Goswami, Gaurav; Ghorai, Manas K.","Synthesis of Nonracemic 1,4-Benzoxazines via Ring Opening/Cyclization of Activated Aziridines with 2-Halophenols: Formal Synthesis of Levofloxacin.","The Journal of organic chemistry","2018","83","15","7907","7918","10.1021/acs.joc.8b00788","","","0.71073","MoKα","","0.0894","0.0513","","","0.1034","0.1165","","","","","","1.029","","","","has coordinates","227057","2020-10-21","18:00:00",""
"4035609","13.486","0.0018","11.4551","0.0014","12.082","0.0016","90","","102.923","0.004","90","","1819.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O3 S -","- C21 H18 F N O3 S -","- C84 H72 F4 N4 O12 S4 -","4","1","","Mal, Abhijit; Wani, Imtiyaz Ahmad; Goswami, Gaurav; Ghorai, Manas K.","Synthesis of Nonracemic 1,4-Benzoxazines via Ring Opening/Cyclization of Activated Aziridines with 2-Halophenols: Formal Synthesis of Levofloxacin.","The Journal of organic chemistry","2018","83","15","7907","7918","10.1021/acs.joc.8b00788","","","0.71073","MoKα","","0.0824","0.0461","","","0.1093","0.1227","","","","","","1.079","","","","has coordinates","227058","2020-10-21","18:00:00",""
"4035610","11.211","0.0008","14.2243","0.0011","16.9228","0.0013","90","","90","","90","","2698.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C120 H108 N12 O24 -","4","1","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Organocatalytic Asymmetric Synthesis of 3,3'-Pyrrolidinyl-bispirooxindoles via Michael/ N-Hemiketalization Cascade Reaction between 3-Aminooxindoles and Isatin-Derived β,γ-Unsaturated α-Keto Esters.","The Journal of organic chemistry","2018","83","15","7741","7750","10.1021/acs.joc.8b00632","","","0.71073","MoKα","","0.0541","0.0424","","","0.1111","0.1184","","","","","","1.013","","","","has coordinates","227059","2020-10-21","18:00:00",""
"4035611","7.8808","0.0004","10.2314","0.0005","11.1564","0.0005","90.661","0.002","93.685","0.002","98.549","0.002","887.52","0.07","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","1","","Anukumar, Adapa; Tamizmani, Masilamani; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Regioselective-Controlled Allenylation/Cyclization of Benzimides with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8567","8580","10.1021/acs.joc.8b01123","","","0.71073","MoKα","","0.0805","0.0647","","","0.1737","0.1974","","","","","","1.0955","","","","has coordinates","227060","2020-10-21","18:00:00",""
"4035612","9.9055","0.0005","16.8514","0.0009","16.5076","0.0009","90","","98.01","0.001","90","","2728.6","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 F6 N O2 Ru S Sb -","- C22 H32 F6 N O2 Ru S Sb -","- C88 H128 F24 N4 O8 Ru4 S4 Sb4 -","4","1","","Anukumar, Adapa; Tamizmani, Masilamani; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Regioselective-Controlled Allenylation/Cyclization of Benzimides with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8567","8580","10.1021/acs.joc.8b01123","","","0.71073","MoKα","","0.094","0.0518","","","0.1147","0.133","","","","","","1.016","","","","has coordinates","227061","2020-10-21","18:00:00",""
"4035613","5.5636","0.0001","10.0307","0.0003","17.1567","0.0004","90","","94.85","0.002","90","","954.03","0.04","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Huang, Yekai; Li, Yanan; Sun, Jianan; Li, Jindong; Zha, Zhenggen; Wang, Zhiyong","Enantioselective Hetero-Diels-Alder Reaction and the Synthesis of Spiropyrrolidone Derivatives.","The Journal of organic chemistry","2018","83","15","8464","8472","10.1021/acs.joc.8b01057","","","1.54184","CuKα","","0.0405","0.0401","","","0.1076","0.1082","","","","","","1.04","","","","has coordinates","227062","2020-10-21","18:00:00",""
"4035614","11.506","0.003","8.565","0.002","18.844","0.005","90","","104.706","0.004","90","","1796.2","0.8","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O6 -","- C17 H25 N O6 -","- C68 H100 N4 O24 -","4","1","","Chaumont, Pauline; Baudoux, Jérome; Maddaluno, Jacques; Rouden, Jacques; Harrison-Marchand, Anne","Access to Anti or Syn 2-Amino-1,3-diol Scaffolds from a Common Decarboxylative Aldol Adduct.","The Journal of organic chemistry","2018","83","15","8081","8091","10.1021/acs.joc.8b00901","","x-ray","0.71073","MoKα","","0.0631","0.0472","","","0.1233","0.1364","","","","","","1.029","","","","has coordinates","227063","2020-10-21","18:00:00",""
"4035615","10.0751","0.0006","10.5272","0.0005","12.2309","0.0009","107.851","0.005","98.524","0.005","103.443","0.005","1166.72","0.14","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","unk","","- C27 H23 Cl N2 O3 -","- C27 H23 Cl N2 O3 -","- C54 H46 Cl2 N4 O6 -","2","1","","Mondal, Buddhadeb; Maity, Rajendra; Pan, Subhas Chandra","Highly Diastereo- and Enantioselective Synthesis of Spiro-tetrahydrofuran-pyrazolones via Organocatalytic Cascade Reaction between γ-Hydroxyenones and Unsaturated Pyrazolones.","The Journal of organic chemistry","2018","83","15","8645","8654","10.1021/acs.joc.8b00781","","x-ray","0.71073","MoKα","","0.0646","0.046","","","0.1055","0.1212","","","","","","1.054","","","","has coordinates","227064","2020-10-21","18:00:00",""
"4035616","8.0562","0.0004","11.4317","0.0004","23.0771","0.0008","90","","90","","90","","2125.31","0.15","293.38","0.1","293.38","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 S -","- C21 H28 O3 S -","- C84 H112 O12 S4 -","4","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","0.71073","MoKα","","0.0607","0.0476","","","0.1044","0.1147","","","","","","1.094","","","","has coordinates","227065","2020-10-21","18:00:00",""
"4035617","18.8922","0.0006","6.28593","0.00019","32.1626","0.001","90","","96.756","0.003","90","","3792.9","0.2","293.6","0.2","293.6","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C184 H152 N8 O16 S8 -","8","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","1.54184","CuKα","","0.0622","0.0525","","","0.1406","0.153","","","","","","1.086","","","","has coordinates","227066","2020-10-21","18:00:00",""
"4035618","16.583","0.003","8.866","0.002","14.163","0.003","90","0.03","105.46","0.03","90","0.03","2007","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 Br4 N4 O12 S4 -","- C84 H80 Br4 N4 O12 S4 -","- C84 H80 Br4 N4 O12 S4 -","1","0.25","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1689","0.0596","","","0.1146","0.1534","","","","","","0.916","","","","has coordinates","227067","2020-10-21","18:00:00",""
"4035619","7.47","0.007","8.825","0.009","14.677","0.015","106.34","0.03","98.72","0.04","98.1","0.04","900.4","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C40 H36 Br2 N2 O4 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1989","0.0735","","","0.1541","0.2004","","","","","","0.967","","","","has coordinates","227068","2020-10-21","18:00:00",""
"4035620","10.674","","8.724","","19.899","","90","","90.82","","90","","1852.81","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0348","0.0282","","","0.0737","0.0787","","","","","","0.826","","","","has coordinates","227069","2020-10-21","18:00:00",""
"4035621","8.068","0.002","15.653","0.003","29.131","0.006","90","0.03","91.42","0.03","90","0.03","3677.8","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C160 H144 Br8 N8 O16 S8 -","8","2","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2346","0.0656","","","0.1496","0.2153","","","","","","0.846","","","","has coordinates","227070","2020-10-21","18:00:00",""
"4035622","12.501","0.003","9.83","0.002","16.624","0.003","90","0.03","96.1","0.03","90","0.03","2031.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O4 S -","- C22 H20 Br N O4 S -","- C88 H80 Br4 N4 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0751","0.0397","","","0.0859","0.0969","","","","","","1.036","","","","has coordinates","227071","2020-10-21","18:00:00",""
"4035623","14.669","0.003","12.306","0.002","10.376","0.002","90","0.03","95.33","0.03","90","0.03","1864.9","0.6","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H60 Br4 N8 O16 S4 -","- C76 H60 Br4 N8 O16 S4 -","- C76 H60 Br4 N8 O16 S4 -","1","0.25","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2936","0.0963","","","0.2487","0.3317","","","","","","0.955","","","","has coordinates","227072","2020-10-21","18:00:00",""
"4035624","16.594","0.003","11.829","0.002","10.155","0.002","90","0.03","99.28","0.03","90","0.03","1967.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2275","0.0943","","","0.2597","0.381","","","","","","1.081","","","","has coordinates","227073","2020-10-21","18:00:00",""
"4035625","13.362","0.003","12.695","0.003","10.481","0.002","90","0.03","92.45","0.03","90","0.03","1776.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O4 S -","- C19 H15 Br N2 O4 S -","- C76 H60 Br4 N8 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0758","0.0399","","","0.0819","0.093","","","","","","1.013","","","","has coordinates","227074","2020-10-21","18:00:00",""
"4035626","14.7","0.003","10.776","0.002","11.324","0.002","90","0.03","101.79","0.03","90","0.03","1756","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl N2 O4 S -","- C19 H15 Cl N2 O4 S -","- C76 H60 Cl4 N8 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1672","0.0616","","","0.0806","0.1024","","","","","","0.911","","","","has coordinates","227075","2020-10-21","18:00:00",""
"4035627","12.6225","0.0007","11.0261","0.0004","11.4992","0.0007","90","","114.099","0.007","90","","1460.93","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Jie, Lianghua; Wang, Lianhui; Xiong, Dan; Yang, Zi; Zhao, Di; Cui, Xiuling","Synthesis of 2-Arylindoles through Pd(II)-Catalyzed Cyclization of Anilines with Vinyl Azides.","The Journal of organic chemistry","2018","83","18","10974","10984","10.1021/acs.joc.8b01618","","x-ray","1.54184","CuKα","","0.0586","0.0424","","","0.1107","0.124","","","","","","1.026","","","","has coordinates","227076","2020-10-21","18:00:00",""
"4035628","6.7121","0.0002","13.5402","0.0004","26.518","0.0008","90","","90","","90","","2410.04","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl- 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine","","- C24 H25 Cl F N7 O -","- C24 H25 Cl F N7 O -","- C96 H100 Cl4 F4 N28 O4 -","4","1","","Strotman, Neil A.; Ramirez, Antonio; Simmons, Eric M.; Soltani, Omid; Parsons, Andrew T.; Fan, Yu; Sawyer, James R.; Rosner, Thorsten; Janey, Jacob M.; Tran, Kristy; Li, Jun; La Cruz, Thomas E.; Pathirana, Charles; Ng, Alicia T.; Deerberg, Joerg","Enantioselective Synthesis of a γ-Secretase Modulator via Vinylogous Dynamic Kinetic Resolution.","The Journal of organic chemistry","2018","83","18","11133","11144","10.1021/acs.joc.8b01734","","","1.54178","CuKα","","0.0269","0.0259","","","0.0714","0.0721","","","","","","1.053","","","","has coordinates","227077","2020-10-21","18:00:00",""
"4035629","9.8583","0.0005","10.4135","0.0005","27.9889","0.0015","90","","97.161","0.003","90","","2850.9","0.3","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N7 O5 -","- C29 H37 N7 O5 -","- C116 H148 N28 O20 -","4","0.5","","Santhiya, Kuppusamy; Sen, Shovan K.; Natarajan, Ramalingam; Shankar, Ramasamy; Murugesapandian, Balasubramanian","D-A-D Structured Bis-acylhydrazone Exhibiting Aggregation-Induced Emission, Mechanochromic Luminescence, and Al(III) Detection.","The Journal of organic chemistry","2018","83","18","10770","10775","10.1021/acs.joc.8b01377","","","0.71073","MoKα","","0.1014","0.0687","","","0.1813","0.2057","","","","","","1.062","","","","has coordinates,has disorder","227078","2020-10-21","18:00:00",""
"4035630","16.6752","0.001","13.1536","0.0008","9.2239","0.0005","90","","102.569","0.002","90","","1974.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br O5 -","- C22 H21 Br O5 -","- C88 H84 Br4 O20 -","4","1","","Vayer, Marie; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Synthesis of 3-Substituted 3-Bromo-1-phenylallenes from Alkynylcycloheptatrienes.","The Journal of organic chemistry","2018","83","18","11309","11317","10.1021/acs.joc.8b01498","","x-ray","0.71073","MoKα","","0.0616","0.0479","","","0.1433","0.1532","","","","","","1.025","","","","has coordinates","227079","2020-10-21","18:00:00",""
"4035631","8.5895","0.0005","10.8126","0.0006","14.9943","0.0007","72.385","0.002","81.878","0.002","75.389","0.003","1281.18","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H23 Cl N2 O3 -","- C32.5 H23 Cl N2 O3 -","- C65 H46 Cl2 N4 O6 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Dictating the Reactivity of η<sup>3</sup>-Oxoallyl Pd-Intermediate toward 5- exo-trig Cyclization: Access to Indano-spirooxindoles.","The Journal of organic chemistry","2018","83","18","11298","11308","10.1021/acs.joc.8b01891","","","0.71073","MoKα","","0.113","0.0568","","","0.1442","0.1874","","","","","","1.034","","","","has coordinates,has disorder","227080","2020-10-21","18:00:00",""
"4035632","13.0898","0.0008","13.4038","0.0008","13.8384","0.0008","67.773","0.002","82.535","0.002","89.424","0.003","2226.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N O3 -","- C31 H19 N O3 -","- C124 H76 N4 O12 -","4","2","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Dictating the Reactivity of η<sup>3</sup>-Oxoallyl Pd-Intermediate toward 5- exo-trig Cyclization: Access to Indano-spirooxindoles.","The Journal of organic chemistry","2018","83","18","11298","11308","10.1021/acs.joc.8b01891","","","0.71073","MoKα","","0.1239","0.0613","","","0.1543","0.1966","","","","","","1.02","","","","has coordinates,has disorder","227081","2020-10-21","18:00:00",""
"4035633","24.0269","0.0004","11.51228","0.00018","15.7204","0.0003","90","","103.112","0.0019","90","","4234.97","0.13","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C192 H200 N8 O24 S8 -","8","1","","Bal, Ankita; Maiti, Saikat; Mal, Prasenjit","Iodine(III)-Enabled Distal C-H Functionalization of Biarylsulfonanilides.","The Journal of organic chemistry","2018","83","18","11278","11287","10.1021/acs.joc.8b01857","","","1.54184","CuKα","","0.0637","0.0611","","","0.1662","0.1696","","","","","","1.0278","","","","has coordinates","227082","2020-10-21","18:00:00",""
"4035634","9.6849","0.0008","14.6284","0.0011","20.1462","0.0016","90","","98.8224","0.0011","90","","2820.4","0.4","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","2","","Kishi, Atsushi; Moriyama, Katsuhiko; Togo, Hideo","Preparation of Phenanthridines from o-Cyanobiaryls via Addition of Organic Lithiums to Nitriles and Imino Radical Cyclization with Iodine.","The Journal of organic chemistry","2018","83","18","11080","11088","10.1021/acs.joc.8b01688","","","0.71073","MoKα","","0.0914","0.0484","","","0.1148","0.1416","","","","","","1.043","","","","has coordinates","227083","2020-10-21","18:00:00",""
"4035635","10.8906","0.0006","13.1404","0.0007","14.9044","0.0008","90","","90","","90","","2132.9","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Br O6 -","- C20 H29 Br O6 -","- C80 H116 Br4 O24 -","4","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0222","0.0201","","","0.047","0.0474","","","","","","0.918","","","","has coordinates","227084","2020-10-21","18:00:00",""
"4035636","10.6537","0.0001","10.6537","0.0001","29.4663","0.0004","90","","90","","120","","2896.39","0.05","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C114 H180 O30 -","6","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0501","0.0457","","","0.1028","0.1053","","","","","","0.945","","","","has coordinates","227085","2020-10-21","18:00:00",""
"4035637","8.715","0.003","14.329","0.006","21.298","0.009","90","","90","","90","","2659.6","1.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Br N O3 S -","- C25 H36 Br N O3 S -","- C100 H144 Br4 N4 O12 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Addition of the Lithium Anion of Diphenylmethanol Methyl/Methoxymethyl Ether to Nonracemic Sulfinimines: Two-Step Asymmetric Synthesis of Diphenylprolinol Methyl Ether and Chiral (Diphenylmethoxymethyl)amines.","The Journal of organic chemistry","2018","83","18","10776","10785","10.1021/acs.joc.8b01381","","x-ray","0.71076","MoKα","","0.0868","0.0574","","","0.1397","0.1569","","","","","","1.02","","","","has coordinates","227086","2020-10-21","18:00:00",""
"4035638","14.466","0.002","7.833","0.0015","20.727","0.004","90","","98.549","0.015","90","","2322.5","0.7","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Castillo, Juan-Carlos; Tigreros, Alexis; Portilla, Jaime","3-Formylpyrazolo[1,5- a]pyrimidines as Key Intermediates for the Preparation of Functional Fluorophores.","The Journal of organic chemistry","2018","83","18","10887","10897","10.1021/acs.joc.8b01571","","","0.71073","MoKα","","0.0792","0.0603","","","0.1616","0.1816","","","","","","1.037","","","","has coordinates","227087","2020-10-21","18:00:00",""
"4035639","8.9612","0.001","10.0158","0.0006","12.9123","0.0009","86.048","0.005","82.551","0.007","75.919","0.007","1113.77","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O3 S -","- C24 H25 N3 O3 S -","- C48 H50 N6 O6 S2 -","2","1","","Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles.","The Journal of organic chemistry","2018","83","18","11232","11244","10.1021/acs.joc.8b01809","","","0.71073","MoKα","","0.0689","0.0484","","","0.1156","0.13","","","","","","1.029","","","","has coordinates","227088","2020-10-21","18:00:00",""
"4035640","5.6211","0.0005","10.32","0.0013","36.416","0.005","90","","90","","90","","2112.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 F N3 O4 S -","- C24 H20 F N3 O4 S -","- C96 H80 F4 N12 O16 S4 -","4","1","","Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles.","The Journal of organic chemistry","2018","83","18","11232","11244","10.1021/acs.joc.8b01809","","","0.71073","MoKα","","0.1252","0.0883","","","0.1595","0.1819","","","","","","1.09","","","","has coordinates","227089","2020-10-21","18:00:00",""
"4035641","14.274","0.004","14.345","0.004","27.42","0.008","90","","90","","90","","5615","3","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H51 N9 O12 -","- C64 H51 N9 O12 -","- C256 H204 N36 O48 -","4","1","","Ema, Tadashi; Yamasaki, Takayuki; Watanabe, Sagiri; Hiyoshi, Mahoko; Takaishi, Kazuto","Cross-Coupling Approach to an Array of Macrocyclic Receptors Functioning as Chiral Solvating Agents.","The Journal of organic chemistry","2018","83","18","10762","10769","10.1021/acs.joc.8b01327","","","0.71075","MoKα","","0.0433","0.0407","","","0.1043","0.107","","","","","","1","","","","has coordinates,has disorder","227090","2020-10-21","18:00:00",""
"4035642","17.5225","0.0004","17.5225","0.0004","13.2022","0.0007","90","","90","","90","","4053.6","0.3","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H18 N2 O2 S2 -","- C22 H18 N2 O2 S2 -","- C176 H144 N16 O16 S16 -","8","1","","Liu, Bei-Bei; Cao, Wen-Bin; Wang, Fei; Wang, Shun-Yi; Ji, Shun-Jun","[4 + 1] Cycloaddition Reaction of α,β-Alkynic Hydrazones and KSCN under Transition-Metal-Free Conditions: Synthesis of N-Iminoisothiazolium Ylides.","The Journal of organic chemistry","2018","83","18","11118","11124","10.1021/acs.joc.8b01725","","","0.71073","MoKα","","0.055","0.038","","","0.0882","0.1086","","","","","","1.135","","","","has coordinates","227091","2020-10-21","18:00:00",""
"4035643","9.1965","0.0009","10.8969","0.0011","20.4802","0.0019","90","","98.954","0.01","90","","2027.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O3 S2 -","- C22 H18 N2 O3 S2 -","- C88 H72 N8 O12 S8 -","4","1","","Liu, Bei-Bei; Cao, Wen-Bin; Wang, Fei; Wang, Shun-Yi; Ji, Shun-Jun","[4 + 1] Cycloaddition Reaction of α,β-Alkynic Hydrazones and KSCN under Transition-Metal-Free Conditions: Synthesis of N-Iminoisothiazolium Ylides.","The Journal of organic chemistry","2018","83","18","11118","11124","10.1021/acs.joc.8b01725","","","0.71073","MoKα","","0.1509","0.073","","","0.1805","0.2438","","","","","","1.023","","","","has coordinates","227092","2020-10-21","18:00:00",""
"4035644","8.3349","0.0007","11.2541","0.0007","11.5632","0.0008","90.401","0.005","110.25","0.007","103.9","0.006","982.96","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O8 S4 -","- C13 H18 N2 O8 S4 -","- C26 H36 N4 O16 S8 -","2","1","","Zhu, Bo; Li, Fuyuan; Lu, Bohua; Chang, Junbiao; Jiang, Zhiyong","Organocatalytic Enantioselective Vinylogous Aldol Reaction of 5-Alkyl-4-Nitroisoxazoles to Paraformaldehyde.","The Journal of organic chemistry","2018","83","18","11350","11358","10.1021/acs.joc.8b01573","","x-ray","1.54184","CuKα","","0.0515","0.0418","","","0.1123","0.1204","","","","","","1.031","","","","has coordinates","227093","2020-10-21","18:00:00",""
"4035645","9.779","0.007","16.269","0.012","7.242","0.005","90","","109.31","0.02","90","","1087.3","1.4","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl O-(4-chlorobenzyl) thiocarbamate","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0595","0.0369","","","0.0791","0.0889","","","","","","1.0346","","","","has coordinates","227094","2020-10-21","18:00:00",""
"4035646","11.91","0.04","4.681","0.013","20.27","0.06","90","","90","","90","","1130","6","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","S-(4-chlorobenzyl) dimethylcarbamothioate","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0451","0.0373","","","0.0799","0.084","","","","","","1.048","","","","has coordinates","227095","2020-10-21","18:00:00",""
"4035647","5.933","0.0003","22.0041","0.0011","7.9392","0.0004","90","","100.687","0.002","90","","1018.49","0.09","122.15","","122.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O Se -","- C10 H13 N O Se -","- C40 H52 N4 O4 Se4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0323","0.0247","","","0.0537","0.056","","","","","","1.051","","","","has coordinates","227096","2020-10-21","18:00:00",""
"4035648","6.7378","0.0003","8.7192","0.0004","24.6946","0.0012","90","","90","","90","","1450.76","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J","Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation.","The Journal of organic chemistry","2018","83","18","11125","11132","10.1021/acs.joc.8b01731","","x-ray","0.71073","MoKα","","0.0336","0.0306","","","0.079","0.0808","","","","","","1.065","","","","has coordinates","227097","2020-10-21","18:00:00",""
"4035649","38.954","0.003","5.8456","0.0004","9.0416","0.0006","90","","91.242","0.004","90","","2058.4","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","0.5","","Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J","Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation.","The Journal of organic chemistry","2018","83","18","11125","11132","10.1021/acs.joc.8b01731","","","0.71073","MoKα","","0.1239","0.0781","","","0.2234","0.338","","","","","","1.277","","","","has coordinates","227098","2020-10-21","18:00:00",""
"4035650","11.1361","0.0007","7.7797","0.0004","30.9551","0.0019","90","","90","","90","","2681.8","0.3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C19 H18 -","- C19 H18 -","- C152 H144 -","8","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0522","0.0411","","","0.0947","0.1114","","","","","","1.077","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035651","11.796","0.003","17.15","0.005","13.523","0.004","90","","110.944","0.007","90","","2555","1.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O6 -","- C31 H34 O6 -","- C124 H136 O24 -","4","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0956","0.0642","","","0.151","0.1677","","","","","","1.126","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035652","9.1101","0.0003","12.099","0.0004","13.0759","0.0004","95.5755","0.0006","100.893","0.0006","95.2109","0.0007","1399.78","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","NO180","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C56 H80 N4 O10 -","2","1","","Soeta, Takahiro; Ohashi, Nobuhiko; Kobayashi, Toshiharu; Sakata, Yoko; Suga, Takuya; Ukaji, Yutaka","Synthesis of Sterically Fixed Phytochrome Chromophore Derivatives Bearing a 15 E- Fixed or 15 E- Anti- Fixed CD-Ring Component.","The Journal of organic chemistry","2018","83","18","10743","10748","10.1021/acs.joc.8b01252","","","1.54178","CuKα","","0.0595","0.0585","","","0.155","0.1559","","","","","","1.044","","","","has coordinates,has disorder","227100","2020-10-21","18:00:00",""
"4035653","9.4899","0.0005","10.4443","0.0005","14.7373","0.0007","98.0511","0.0012","102.964","0.0014","93.8281","0.0014","1402.12","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Cl N2 O5 -","- C28 H39 Cl N2 O5 -","- C56 H78 Cl2 N4 O10 -","2","1","","Soeta, Takahiro; Ohashi, Nobuhiko; Kobayashi, Toshiharu; Sakata, Yoko; Suga, Takuya; Ukaji, Yutaka","Synthesis of Sterically Fixed Phytochrome Chromophore Derivatives Bearing a 15 E- Fixed or 15 E- Anti- Fixed CD-Ring Component.","The Journal of organic chemistry","2018","83","18","10743","10748","10.1021/acs.joc.8b01252","","","1.54178","CuKα","","0.0509","0.0496","","","0.1374","0.1387","","","","","","1.082","","","","has coordinates,has disorder","227101","2020-10-21","18:00:00",""
"4035654","6.50908","0.00006","8.4466","0.0001","29.2131","0.0003","90","","90","","90","","1606.12","0.03","99.97","0.15","99.97","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0403","0.0402","","","0.0996","0.0996","","","","","","1.263","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035655","9.82226","0.00011","14.71407","0.00018","30.9505","0.0003","90","","90","","90","","4473.13","0.09","99.97","0.12","99.97","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3.3 H2.79 Cl0.13 N0.13 O0.51 -","- C3.30159 H2.79365 Cl0.125397 N0.126984 O0.507937 -","- C208 H176 Cl7.9 N8 O32 -","63","15.75","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0855","0.0868","","","","","","1.043","","","","has coordinates,has disorder","227103","2020-10-21","18:00:00",""
"4035656","14.8638","0.0003","15.2757","0.0003","38.7031","0.0007","90","","90","","90","","8787.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H66 N2 O7 S Si2 -","- C41 H66 N2 O7 S Si2 -","- C328 H528 N16 O56 S8 Si16 -","8","1","","Huang, Wen-Yu; Nishikawa, Toshio; Nakazaki, Atsuo","Toward a Synthesis of Fawcettimine-Type Lycopodium Alkaloids: Stereocontrolled Synthesis of a Functionalized Azaspirocycle Precursor.","The Journal of organic chemistry","2018","83","18","11108","11117","10.1021/acs.joc.8b01719","","","1.54187","CuKα","","0.0803","0.0638","","","0.17","0.1806","","","","","","1.055","","","","has coordinates,has disorder","227104","2020-10-21","18:00:00",""
"4035657","13.614","0.006","10.485","0.004","11.854","0.005","90","","109.329","0.014","90","","1596.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kokuev, Aleksandr O.; Antonova, Yulia A.; Dorokhov, Valentin S.; Golovanov, Ivan S.; Nelyubina, Yulia V.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ Generated N-Acyloxy, N-oxyenamines.","The Journal of organic chemistry","2018","83","18","11057","11066","10.1021/acs.joc.8b01652","","","0.71073","MoKα","","0.0803","0.0464","","","0.1169","0.1518","","","","","","1.063","","","","has coordinates,has disorder","227105","2020-10-21","18:00:00",""
"4035658","6.1212","0.0017","14.764","0.004","22.957","0.006","97.013","0.006","97.345","0.006","100.97","0.006","1997.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O5 -","- C20 H29 N O5 -","- C80 H116 N4 O20 -","4","2","","Kokuev, Aleksandr O.; Antonova, Yulia A.; Dorokhov, Valentin S.; Golovanov, Ivan S.; Nelyubina, Yulia V.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ Generated N-Acyloxy, N-oxyenamines.","The Journal of organic chemistry","2018","83","18","11057","11066","10.1021/acs.joc.8b01652","","","0.71073","MoKα","","0.1276","0.0965","","","0.2894","0.3046","","","","","","1.361","","","","has coordinates","227106","2020-10-21","18:00:00",""
"4035659","13.627","0.006","13.804","0.006","13.675","0.007","90","","91.26","0.02","90","","2572","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 -","- C35 H26 N2 -","- C140 H104 N8 -","4","1","","Wang, Yanwei; Li, Bin; Wang, Baiquan","Synthesis of Cinnolines and Cinnolinium Salt Derivatives by Rh(III)-Catalyzed Cascade Oxidative Coupling/Cyclization Reactions.","The Journal of organic chemistry","2018","83","18","10845","10854","10.1021/acs.joc.8b01548","","","0.71073","MoKα","","0.068","0.051","","","0.1166","0.1338","","","","","","1.028","","","","has coordinates","227107","2020-10-21","18:00:00",""
"4035660","20.3423","0.0007","5.7998","0.0002","15.8289","0.0006","90","","109.501","0.002","90","","1760.39","0.11","298","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl N2 S -","- C21 H15 Cl N2 S -","- C84 H60 Cl4 N8 S4 -","4","1","","Behera, Ahalya; Sau, Prasenjit; Sahoo, Ashish Kumar; Patel, Bhisma K.","Cyano-Sacrificial (Arylthio)arylamination of Quinoline and Isoquinoline N-Oxides Using N-(2-(Arylthio)aryl)cyanamides.","The Journal of organic chemistry","2018","83","18","11218","11231","10.1021/acs.joc.8b01797","","","0.71073","MoKα","","0.0657","0.0437","","","0.1406","0.1635","","","","","","1.087","","","","has coordinates","227108","2020-10-21","18:00:00",""
"4035661","19.9729","0.0004","10.88812","0.00017","9.57079","0.00013","90","","90","","90","","2081.33","0.06","217.98","0.1","217.98","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H32 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Liang, Kangjiang; Tong, Xiaogang; Li, Tao; Shi, Bingfei; Wang, Haiyang; Yan, Pengcheng; Xia, Chengfeng","Enantioselective Radical Cyclization of Tryptamines by Visible Light-Excited Nitroxides.","The Journal of organic chemistry","2018","83","18","10948","10958","10.1021/acs.joc.8b01597","","x-ray","1.54184","CuKα","","0.0654","0.0632","","","0.1545","0.1579","","","","","","1.111","","","","has coordinates","227109","2020-10-21","18:00:00",""
"4035662","6.4257","0.0007","8.6814","0.0009","15.9381","0.0016","90","","100.193","0.006","90","","875.06","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C36 H42 Cl2 N4 O6 -","2","1","","Ray, Bidisha; Mukherjee, Santanu","Direct Catalytic Enantioselective Vinylogous Aldol Reaction of Allyl Ketones to Pyrazole-4,5-diones.","The Journal of organic chemistry","2018","83","18","10871","10880","10.1021/acs.joc.8b01566","","","0.71073","MoKα","","0.0313","0.028","","","0.063","0.0649","","","","","","1.023","","","","has coordinates","227110","2020-10-21","18:00:00",""
"4035663","12.502","0.004","10.636","0.003","12.083","0.005","90","","108.882","0.013","90","","1520.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F N -","- C6 H11 Cl F N -","- C48 H88 Cl8 F8 N8 -","8","2","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0792","0.0414","","","0.0808","0.0966","","","","","","1.016","","","","has coordinates","227111","2020-10-21","18:00:00",""
"4035664","14.266","0.002","7.0245","0.0011","7.9744","0.0013","90","","90","","90","","799.1","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 Cl F3 N -","- C6 H9 Cl F3 N -","- C24 H36 Cl4 F12 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0328","0.028","","","0.0631","0.0648","","","","","","1.065","","","","has coordinates","227112","2020-10-21","18:00:00",""
"4035665","7.0766","0.0013","7.9156","0.0014","14.04","0.003","90","","102.906","0.006","90","","766.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl F2 N -","- C6 H10 Cl F2 N -","- C24 H40 Cl4 F8 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0374","0.0294","","","0.0687","0.0737","","","","","","1.041","","","","has coordinates","227113","2020-10-21","18:00:00",""
"4035666","6.0902","0.0018","6.5152","0.0017","24.172","0.007","90","","93.433","0.01","90","","957.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl N O2 -","- C8 H14 Cl N O2 -","- C32 H56 Cl4 N4 O8 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.1261","0.0762","","","0.1362","0.1545","","","","","","1.056","","","","has coordinates","227114","2020-10-21","18:00:00",""
"4035667","7.256","0.002","10.418","0.004","10.168","0.003","90","","99.03","0.009","90","","759.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C28 H40 Cl4 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0528","0.0376","","","0.0822","0.0875","","","","","","1.028","","","","has coordinates","227115","2020-10-21","18:00:00",""
"4035668","8.4886","0.0009","8.9588","0.001","10.1158","0.0011","86.119","0.003","83.374","0.002","71.079","0.003","722.48","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N S2 -","- C18 H13 N S2 -","- C36 H26 N2 S4 -","2","1","","Kao, Tzu-Ting; Peng, Bo-Kai; Liang, Min-Chieh; Lee, Chia-Jui; Chen, I-Chia; Shia, Kak-Shan; Wu, Yen-Ku","Temperature-Controlled Thiation of α-Cyano-β-Alkynyl Carbonyl Derivatives for De Novo Synthesis of 2-Aminothiophenes and Thieno[2,3- c]isothiazoles.","The Journal of organic chemistry","2018","83","23","14688","14697","10.1021/acs.joc.8b01866","","","0.71073","MoKα","","0.04","0.0316","","","0.0818","0.0871","","","","","","1.053","","","","has coordinates","227116","2020-10-21","18:00:00",""
"4035669","13.0589","0.001","13.3601","0.001","15.5839","0.0009","74.38","0.006","85.802","0.006","73.462","0.007","2510.1","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H60 O13 -","- C56 H60 O13 -","- C112 H120 O26 -","2","1","","Brotin, Thierry; Jeanneau, Erwann; Berthault, Patrick; Léonce, Estelle; Pitrat, Delphine; Mulatier, Jean-Christophe","Synthesis of Cryptophane-B: Crystal Structure and Study of Its Complex with Xenon.","The Journal of organic chemistry","2018","83","23","14465","14471","10.1021/acs.joc.8b02246","","","1.5418","CuKα","","0.0868","0.0643","","0.1287","0.1064","0.1287","","","","","","1.0134","","","","has coordinates,has disorder","227117","2020-10-21","18:00:00",""
"4035670","12.5","0.003","16.914","0.003","14.059","0.003","90","","100.76","0.03","90","","2920.2","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 Cl F N O2 -","- C17 H11 Cl F N O2 -","- C136 H88 Cl8 F8 N8 O16 -","8","1","","Azizi, Mahboobeh; Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Kia, Reza","Synthesis of Quinolines and Pyrido[3,2- g or 2,3- g]quinolines Catalyzed by Heterogeneous Propylphosphonium Tetrachloroindate Ionic Liquid.","The Journal of organic chemistry","2018","83","23","14743","14750","10.1021/acs.joc.8b02261","","","0.71073","MoKα","","0.063","0.0414","","","0.1135","0.1213","","","","","","1.035","","","","has coordinates","227118","2020-10-21","18:00:00",""
"4035671","9.1673","0.0018","13.916","0.003","14.952","0.003","115.42","0.03","92.81","0.03","96.49","0.03","1701.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 Cl2 N -","- C21 H13 Cl2 N -","- C84 H52 Cl8 N4 -","4","2","","Azizi, Mahboobeh; Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Kia, Reza","Synthesis of Quinolines and Pyrido[3,2- g or 2,3- g]quinolines Catalyzed by Heterogeneous Propylphosphonium Tetrachloroindate Ionic Liquid.","The Journal of organic chemistry","2018","83","23","14743","14750","10.1021/acs.joc.8b02261","","","0.71073","MoKα","","0.1463","0.035","","","0.0756","0.1055","","","","","","0.46","","","","has coordinates","227119","2020-10-21","18:00:00",""
"4035672","10.0575","0.0003","7.5881","0.0003","18.921","0.0006","90","","100.548","0.003","90","","1419.6","0.08","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C60 H60 F12 O12 -","4","1","","Lopez, Susana S.; Jaworski, Ashley A.; Scheidt, Karl A.","NHC-Catalyzed Formal [2+2] Annulations of Allenoates for the Synthesis of Substituted Oxetanes.","The Journal of organic chemistry","2018","83","23","14637","14645","10.1021/acs.joc.8b02464","","","1.54178","CuKα","","0.0465","0.0455","","","0.1165","0.1174","","","","","","1.08","","","","has coordinates,has disorder","227120","2020-10-21","18:00:00",""
"4035673","9.8866","0.0007","7.3687","0.0005","19.7143","0.0013","90","","100.232","0.002","90","","1413.37","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C60 H60 F12 O12 -","4","1","","Lopez, Susana S.; Jaworski, Ashley A.; Scheidt, Karl A.","NHC-Catalyzed Formal [2+2] Annulations of Allenoates for the Synthesis of Substituted Oxetanes.","The Journal of organic chemistry","2018","83","23","14637","14645","10.1021/acs.joc.8b02464","","","1.54178","CuKα","","0.0292","0.029","","","0.0708","0.071","","","","","","1.041","","","","has coordinates","227121","2020-10-21","18:00:00",""
"4035674","4.7243","0.0013","10.209","0.003","14.125","0.004","103.821","0.006","92.052","0.006","99.033","0.006","651.4","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Br2 N4 O -","- C30 H24 Br2 N4 O -","- C30 H24 Br2 N4 O -","1","0.5","","Shi, Shoujie; Xu, Kang; Jiang, Cheng; Ding, Zhenhua","ZnCl<sub>2</sub>-Catalyzed [3 + 2] Cycloaddition of Benzimidates and 2 H-Azirines for the Synthesis of Imidazoles.","The Journal of organic chemistry","2018","83","23","14791","14796","10.1021/acs.joc.8b02437","","","0.71073","MoKα","","0.0706","0.0482","","","0.1383","0.1499","","","","","","1.093","","","","has coordinates,has disorder","227122","2020-10-21","18:00:00",""
"4035675","19.2831","0.0009","14.1684","0.0006","23.4998","0.0011","90","","96.936","0.002","90","","6373.4","0.5","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N4 O6 -","- C32 H26 N4 O6 -","- C256 H208 N32 O48 -","8","1","","Qian, Siran; Xie, Zengyang; Liu, Jiaming; Li, Mingshuang; Wang, Shan; Luo, Naili; Wang, Cunde","DBU-Promoted Cascade Annulation of Nitroarylcyclopropane-1,1-dicarbonitriles and 3-Aryl-2-cyanoacrylates: An Access to Highly Functionalized Cyclopenta[ b]furan Derivatives.","The Journal of organic chemistry","2018","83","23","14768","14776","10.1021/acs.joc.8b02325","","","0.71073","MoKα","","0.0987","0.063","","","0.1979","0.2146","","","","","","1.038","","","","has coordinates","227123","2020-10-21","18:00:00",""
"4035676","13.0781","0.0008","16.9366","0.0009","13.9466","0.0007","90","","108.598","0.002","90","","2927.8","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O7 -","- C32 H26 N4 O7 -","- C128 H104 N16 O28 -","4","1","","Qian, Siran; Xie, Zengyang; Liu, Jiaming; Li, Mingshuang; Wang, Shan; Luo, Naili; Wang, Cunde","DBU-Promoted Cascade Annulation of Nitroarylcyclopropane-1,1-dicarbonitriles and 3-Aryl-2-cyanoacrylates: An Access to Highly Functionalized Cyclopenta[ b]furan Derivatives.","The Journal of organic chemistry","2018","83","23","14768","14776","10.1021/acs.joc.8b02325","","","0.71073","MoKα","","0.134","0.0678","","","0.1594","0.1901","","","","","","1.036","","","","has coordinates","227124","2020-10-21","18:00:00",""
"4035677","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Herling, Madison R.; Niederer, Kyle A.; Lee, Young Eun; Vasu Govardhana Reddy, Peddiahgari; Dey, Sangeeta; Allen, Scott E.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Kim, Gina J.; Kozlowski, Marisa C.","Enantioselective Vanadium-Catalyzed Oxidative Coupling: Development and Mechanistic Insights.","The Journal of organic chemistry","2018","83","23","14362","14384","10.1021/acs.joc.8b02083","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","227125","2020-10-21","18:00:00",""
"4035678","9.475","0.002","10.144","0.002","13.66","0.003","98.118","0.003","91.348","0.003","100.871","0.003","1274.7","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O5 S2 -","- C27 H28 N2 O5 S2 -","- C54 H56 N4 O10 S4 -","2","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","Copper-Catalyzed Indole-Selective C-N Coupling Reaction of Indolyl(2-alkoxy-phenyl)iodonium Imides: Effect of Substituent on Iodoarene as Dummy Ligand.","The Journal of organic chemistry","2018","83","23","14827","14833","10.1021/acs.joc.8b02676","","","0.71073","MoKα","","0.0892","0.0508","","","0.1031","0.1223","","","","","","1.015","","","","has coordinates","227126","2020-10-21","18:00:00",""
"4035679","32.963","0.003","8.7052","0.0009","15.5575","0.0015","90","","114.78","0.003","90","","4053.2","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","u180316mor1","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C176 H160 N16 O32 S16 -","8","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","Copper-Catalyzed Indole-Selective C-N Coupling Reaction of Indolyl(2-alkoxy-phenyl)iodonium Imides: Effect of Substituent on Iodoarene as Dummy Ligand.","The Journal of organic chemistry","2018","83","23","14827","14833","10.1021/acs.joc.8b02676","","","1.54178","CuKα","","0.0352","0.0343","","","0.094","0.0951","","","","","","1.067","","","","has coordinates","227127","2020-10-21","18:00:00",""
"4035680","5.581","0.0004","18.9438","0.0014","9.1233","0.0007","90","","93.554","0.005","90","","962.71","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl N O3 -","- C24 H18 Cl N O3 -","- C48 H36 Cl2 N2 O6 -","2","1","","Balha, Megha; Pan, Subhas Chandra","Organocatalytic Asymmetric Synthesis of Bridged Acetals with Spirooxindole Skeleton.","The Journal of organic chemistry","2018","83","23","14703","14712","10.1021/acs.joc.8b02156","","","0.71073","MoKα","","0.0353","0.031","","","0.0561","0.0573","","","","","","1.143","","","","has coordinates","227128","2020-10-21","18:00:00",""
"4035681","19.8813","0.0007","8.7695","0.0003","23.6954","0.0008","90","","112.551","0.0018","90","","3815.4","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 N O5 S Si -","- C35 H57 N O5 S Si -","- C140 H228 N4 O20 S4 Si4 -","4","1","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1741","0.0833","","","0.2348","0.2747","","","","","","1.067","","","","has coordinates,has disorder","227129","2020-10-21","18:00:00",""
"4035682","8.0101","0.0006","8.1359","0.0007","33.077","0.002","90","","96.127","0.004","90","","2143.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C72 H136 O20 Si4 -","4","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1686","0.1221","","","0.3039","0.3319","","","","","","1.029","","","","has coordinates,has disorder","227130","2020-10-21","18:00:00",""
"4035683","11.2358","0.0004","12.6433","0.0004","22.2439","0.0007","103.677","0.002","95.436","0.002","97.749","0.002","3015.85","0.18","164","2","164","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N O5 S Si -","- C27 H47 N O5 S Si -","- C108 H188 N4 O20 S4 Si4 -","4","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1635","0.0602","","","0.133","0.1579","","","","","","1.061","","","","has coordinates,has disorder","227131","2020-10-21","18:00:00",""
"4035684","19.206","0.003","11.2062","0.0016","10.5976","0.0015","90","","92.178","0.008","90","","2279.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 O3 Si -","- C22 H36 O3 Si -","- C88 H144 O12 Si4 -","4","1","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.0852","0.0689","","","0.2031","0.2276","","","","","","1.026","","","","has coordinates","227132","2020-10-21","18:00:00",""
"4035685","32.4209","0.0009","8.0512","0.0003","16.2619","0.0005","90","","90.2238","0.0019","90","","4244.8","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C144 H272 O40 Si8 -","8","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1223","0.0646","","","0.172","0.2191","","","","","","1.01","","","","has coordinates","227133","2020-10-21","18:00:00",""
"4035686","12.391","0.004","9.664","0.004","19.857","0.007","90","","107.03","0.005","90","","2273.5","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br N4 O6 -","- C19 H21 Br N4 O6 -","- C76 H84 Br4 N16 O24 -","4","1","","Xia, Xuejian; Zhu, Qiongqiong; Wang, Jing; Chen, Jie; Cao, Weiguo; Zhu, Bo; Wu, Xiaoyu","Direct Asymmetric Vinylogous Mannich Addition of 3,5-Disubstituted-4-nitroisoxazoles to Isatin-Derived Imines Catalyzed by a Bifunctional Phase-Transfer-Catalyst.","The Journal of organic chemistry","2018","83","23","14617","14625","10.1021/acs.joc.8b02439","","","0.71073","MoKα","","0.0747","0.0388","","","0.0899","0.1025","","","","","","1.025","","","","has coordinates","227134","2020-10-21","18:00:00",""
"4035687","10.8985","0.0005","6.7166","0.0004","11.0406","0.0005","90","","90.531","0.003","90","","808.15","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Hirasawa, Shun; Mukai, Ken; Sakai, Shinnosuke; Wakamori, Shinnosuke; Hasegawa, Takahiro; Souma, Kazunori; Kanomata, Nobuhiro; Ogawa, Narihito; Aizawa, Mamoru; Emoto, Makoto","Elucidation of Racemization Process of Azaspirene Skeleton in Neutral Aqueous Media.","The Journal of organic chemistry","2018","83","23","14457","14464","10.1021/acs.joc.8b02223","","","1.54187","CuKα","","","0.0465","","","","0.1369","","","","","","1.232","","","","has coordinates","227135","2020-10-21","18:00:00",""
"4035688","11.0445","0.0003","5.4776","0.0001","15.3754","0.0005","90","","100.641","0.002","90","","914.18","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Szostak, Roman; Liu, Chengwei; Lalancette, Roger; Szostak, Michal","Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance in N-C(O) Cross-coupling.","The Journal of organic chemistry","2018","83","23","14676","14682","10.1021/acs.joc.8b02691","","","1.54178","CuKα","","0.029","0.027","","","0.0671","0.0685","","","","","","1.063","","","","has coordinates","227136","2020-10-21","18:00:00",""
"4035689","9.7701","0.0019","5.8703","0.0011","20.14","0.004","90","","100.672","0.005","90","","1135.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Szostak, Roman; Liu, Chengwei; Lalancette, Roger; Szostak, Michal","Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance in N-C(O) Cross-coupling.","The Journal of organic chemistry","2018","83","23","14676","14682","10.1021/acs.joc.8b02691","","","1.54178","CuKα","","0.0695","0.0532","","","0.1301","0.139","","","","","","1.043","","","","has coordinates","227137","2020-10-21","18:00:00",""
"4035690","7.3373","0.0007","10.0709","0.0008","17.0758","0.0016","90","","90","","90","","1261.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 F N O2 S -","- C12 H16 F N O2 S -","- C48 H64 F4 N4 O8 S4 -","4","1","","Huang, Wei; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Fluorination of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","23","14777","14785","10.1021/acs.joc.8b02375","","x-ray","0.71073","MoKα","","0.0399","0.0363","","","0.0783","0.0803","","","","","","1.013","","","","has coordinates","227138","2020-10-21","18:00:00",""
"4035691","5.751","0.0016","7.1296","0.0016","17.125","0.004","78.696","0.019","87.63","0.02","81.59","0.02","681.1","0.3","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F2 N O4 -","- C15 H13 F2 N O4 -","- C30 H26 F4 N2 O8 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.0922","0.0553","","","0.1041","0.128","","","","","","1.034","","","","has coordinates","227139","2020-10-21","18:00:00",""
"4035692","5.7929","0.0011","10.1326","0.0013","13.119","0.003","92.577","0.013","94.129","0.016","93.294","0.013","765.8","0.2","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 F2 N O5 -","- C13 H19 F2 N O5 -","- C26 H38 F4 N2 O10 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.063","0.0477","","","0.1078","0.1212","","","","","","1.042","","","","has coordinates","227140","2020-10-21","18:00:00",""
"4035693","12.1264","0.0007","12.1086","0.0004","13.6351","0.0009","90","","111.794","0.007","90","","1859","0.2","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F2 N O5 -","- C19 H25 F2 N O5 -","- C76 H100 F8 N4 O20 -","4","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.0657","0.0462","","","0.1022","0.1154","","","","","","1.061","","","","has coordinates","227141","2020-10-21","18:00:00",""
"4035694","17.5468","0.0008","10.6086","0.0005","16.1722","0.0007","90","","105.657","0.002","90","","2898.7","0.2","150","2","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F4 O4 -","- C36 H30 F4 O4 -","- C144 H120 F16 O16 -","4","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","1.54178","CuKα","","0.0549","0.0505","","","0.1311","0.1352","","","","","","1.029","","","","has coordinates","227142","2020-10-21","18:00:00",""
"4035695","5.368","0.0006","8.8589","0.0009","15.7536","0.0014","74.167","0.008","81.776","0.009","84.811","0.009","712.28","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 F2 N O5 -","- C12 H17 F2 N O5 -","- C24 H34 F4 N2 O10 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","x-ray","1.54184","CuKα","","0.0921","0.076","","","0.2293","0.2588","","","","","","1.084","","","","has coordinates","227143","2020-10-21","18:00:00",""
"4035696","16.2255","0.0005","16.4626","0.0005","17.2473","0.0005","115.368","0.002","105.172","0.002","95.372","0.002","3904.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C84 H69 O15 P3 -","- C84 H69 O15 P3 -","- C168 H138 O30 P6 -","2","2","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.1363","0.1032","","","0.2197","0.2423","","","","","","1.075","","","","has coordinates,has disorder","227144","2020-10-21","18:00:00",""
"4035697","11.5614","0.0005","12.8155","0.0006","16.0415","0.0007","87.862","0.003","76.7","0.003","79.546","0.003","2274.62","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H24 O2 -","- C31 H24 O2 -","- C124 H96 O8 -","4","2","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.0982","0.0658","","","0.1722","0.1943","","","","","","1.048","","","","has coordinates","227145","2020-10-21","18:00:00",""
"4035698","14.7321","0.0005","14.9419","0.0005","15.1685","0.0005","62.715","0.001","61.024","0.001","84.505","0.001","2561.52","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H49 Cl3 O10 P2 -","- C59 H49 Cl3 O10 P2 -","- C118 H98 Cl6 O20 P4 -","2","1","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.0462","0.0403","","","0.0964","0.1002","","","","","","1.029","","","","has coordinates,has disorder","227146","2020-10-21","18:00:00",""
"4035699","11.105","0.0008","11.4637","0.0008","11.6332","0.0008","68.869","0.003","68.313","0.003","64.712","0.003","1207.52","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C64 H52 O8 -","2","1","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","0.71073","MoKα","","0.056","0.0488","","","0.1371","0.1463","","","","","","1.023","","","","has coordinates","227147","2020-10-21","18:00:00",""
"4035700","25.3837","0.0015","23.3917","0.0009","19.2584","0.0016","90","","112.258","0.008","90","","10583","1.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H39 F5 N2 S2 -","- C51 H39 F5 N2 S2 -","- C408 H312 F40 N16 S16 -","8","1","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Dibenzidecaphyrins (1.0.0.1.1.1.0.0.1.1) and Their Bis-BF<sub>2</sub> Complexes.","The Journal of organic chemistry","2018","83","23","14277","14285","10.1021/acs.joc.8b01812","","","1.54184","CuKα","","0.1592","0.0947","","","0.2512","0.3119","","","","","","1.008","","","","has coordinates","227149","2020-10-21","18:00:00",""
"4035701","39.031","0.006","5.648","0.0009","23.048","0.004","90","","91.195","0.003","90","","5079.8","1.4","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","131129mis1","","","- C31 H26 N4 O7 -","- C31 H26 N4 O7 -","- C248 H208 N32 O56 -","8","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","0.71073","MoKα","","0.1604","0.1419","","","0.3482","0.3646","","","","","","1.49","","","","has coordinates","227150","2020-10-21","18:00:00",""
"4035702","9.4411","0.0005","13.9132","0.0007","20.7293","0.001","95.928","0.003","97.099","0.003","93.724","0.003","2679.2","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O7 -","- C31 H26 N4 O7 -","- C124 H104 N16 O28 -","4","2","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0684","0.0533","","","0.1491","0.1608","","","","","","1.058","","","","has coordinates","227151","2020-10-21","18:00:00",""
"4035703","19.0264","0.0006","10.9646","0.0004","15.906","0.0004","90","","101.399","0.002","90","","3252.81","0.18","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1b","","","- C35 H34 N4 O7 -","- C33.476 H30.444 N4 O7 -","- C133.904 H121.776 N16 O28 -","4","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0759","0.0486","","","0.1243","0.1414","","","","","","1.031","","","","has coordinates,has disorder","227152","2020-10-21","18:00:00",""
"4035704","19.2513","0.0008","11.5028","0.0005","15.544","0.0007","90","","106.146","0.003","90","","3306.4","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl N4 O7 -","- C37 H31 Cl N4 O7 -","- C148 H124 Cl4 N16 O28 -","4","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0755","0.0478","","","0.121","0.1352","","","","","","1.025","","","","has coordinates","227153","2020-10-21","18:00:00",""
"4035705","9.1003","0.0001","18.7035","0.0002","20.7543","0.0002","90","","90","","90","","3532.54","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Sun, Kai; Chen, Xiao-Lan; Li, Shi-Jun; Wei, Dong-Hui; Liu, Xiao-Ceng; Zhang, Yin-Li; Liu, Yan; Fan, Lu-Lu; Qu, Ling-Bo; Yu, Bing; Li, Kai; Sun, Yuan-Qiang; Zhao, Yu-Fen","Copper-Catalyzed Radical Cascade Cyclization To Access 3-Sulfonated Indenones with the AIE Phenomenon.","The Journal of organic chemistry","2018","83","23","14419","14430","10.1021/acs.joc.8b02175","","x-ray","1.54184","CuKα","","0.0353","0.0329","","","0.0888","0.0904","","","","","","1.068","","","","has coordinates","227154","2020-10-21","18:00:00",""
"4035706","18.775","0.007","10.002","0.004","31.332","0.012","90","","90","","90","","5884","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C272 H256 O48 -","16","2","","Zeng, Linwei; Lai, Zhencheng; Cui, Sunliang","One-Pot Reaction of Carboxylic Acids and Ynol Ethers for The Synthesis of β-Keto Esters.","The Journal of organic chemistry","2018","83","23","14834","14841","10.1021/acs.joc.8b02715","","","0.71073","MoKα","","0.3378","0.0896","","","0.2041","0.3219","","","","","","0.933","","","","has coordinates","227155","2020-10-21","18:00:00",""
"4035707","8.2785","0.0008","8.9957","0.0009","26.839","0.003","90","","90","","90","","1998.7","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Br N O3 Si -","- C20 H22 Br N O3 Si -","- C80 H88 Br4 N4 O12 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","NHC-Copper-Catalyzed Asymmetric Dearomative Silylation of Indoles.","The Journal of organic chemistry","2018","83","23","14758","14767","10.1021/acs.joc.8b02308","","","0.71073","MoKα","","0.0519","0.0305","","","0.0561","0.0658","","","","","","0.998","","","","has coordinates","227156","2020-10-21","18:00:00",""
"4035708","24.1507","0.0018","12.2214","0.0009","7.8434","0.0006","90","","90","","90","","2315","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 B F2 N3 -","- C29 H26 B F2 N3 -","- C116 H104 B4 F8 N12 -","4","1","","Mula, Soumyaditya; Leclerc, Nicolas; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles","Synthesis of Indolo[3,2- b]carbazole-Based Boron Complexes with Tunable Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2018","83","23","14406","14418","10.1021/acs.joc.8b01948","","","0.71075","MoKα","","0.0428","0.0383","","","0.0924","0.0966","","","","","","1.054","","","","has coordinates","227157","2020-10-21","18:00:00",""
"4035709","10.916","0.0011","14.1012","0.0014","16.5017","0.0017","90","","90","","90","","2540.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F N2 O2 S -","- C31 H27 F N2 O2 S -","- C124 H108 F4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.113","0.0611","","","0.1069","0.1289","","","","","","1.065","","","","has coordinates","227158","2020-10-21","18:00:00",""
"4035710","9.7286","0.0005","17.3772","0.0008","17.4481","0.0008","101.616","0.001","90.589","0.001","102.62","0.001","2814.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H27 Br Cl N3 O4 S -","- C31.5 H27 Br Cl N3 O4 S -","- C126 H108 Br4 Cl4 N12 O16 S4 -","4","2","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.1192","0.0608","","","0.1271","0.1476","","","","","","1.018","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035711","9.4268","0.0007","11.8262","0.0009","13.4376","0.001","106.439","0.002","106.993","0.002","94.519","0.002","1352.63","0.18","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N3 O4 S -","- C30 H31 N3 O4 S -","- C60 H62 N6 O8 S2 -","2","1","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.07","0.0471","","","0.1125","0.1263","","","","","","1.033","","","","has coordinates","227160","2020-10-21","18:00:00",""
"4035712","9.7941","0.0005","10.1973","0.0005","10.1976","0.0005","68.884","0.001","89.368","0.002","85.706","0.001","947.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 N4 O6 -","- C48 H40 N4 O6 -","- C48 H40 N4 O6 -","1","0.5","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.0564","0.042","","","0.0967","0.1043","","","","","","1.056","","","","has coordinates","227161","2020-10-21","18:00:00",""
"4035713","13.885","0.003","14.002","0.003","14.446","0.003","86.624","0.004","89.65","0.005","87.08","0.004","2800","1","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Br2 N4 O8 S4 -","- C24 H18 Br2 N4 O8 S4 -","- C96 H72 Br8 N16 O32 S16 -","4","2","","Ashida, Shiomi; Tanaka, Naoki; Ito, Yukiko; Matsuoka, Mitsuru; Hashimoto, Takayoshi; Okano, Kentaro; Miyazaki, Yuji; Kobayashi, Tohru; Yaita, Tsuyoshi; Mori, Atsunori","Nosyl (2-Nitrobenzenesulfonyl) Annulation Strategy toward Winding Vine-Shaped Bithiophenes.","The Journal of organic chemistry","2018","83","23","14797","14801","10.1021/acs.joc.8b02382","","","0.71075","MoKα","","","0.1166","","","","0.266","","","","","","1.19","","","","has coordinates","227162","2020-10-21","18:00:00",""
"4035714","7.7479","0.0006","25.908","0.002","10.202","0.0007","90","","103.259","0.002","90","","1993.3","0.3","120","","120","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","2,8-Bis(phenoxazin-10-yl)dibenzothiophene-S,S-dioxide, deuterochloroform trisolvate","","- C39 H22 Cl9 D3 N2 O4 S -","- C39 H22 Cl9 D3 N2 O4 S -","- C78 H44 Cl18 D6 N4 O8 S2 -","2","0.5","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Batsanov, Andrei S.; Santos, Jose; Dias, Fernando B.; Bryce, Martin R.","Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.","The Journal of organic chemistry","2018","83","23","14431","14442","10.1021/acs.joc.8b02187","","x-ray","0.71073","MoKα","","0.0596","0.0466","","","0.1107","0.1195","","","","","","1.032","","","","has coordinates,has disorder","227163","2020-10-21","18:00:00",""
"4035715","10.4124","0.0005","12.8726","0.0006","12.8871","0.0006","113.293","0.0017","105.355","0.0018","103.086","0.0018","1418.97","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","2,8-Bis(1-methyl-phenoxazin-10-yl)dibenzothiophene-S,S-dioxide","","- C38 H26 N2 O4 S -","- C38 H26 N2 O4 S -","- C76 H52 N4 O8 S2 -","2","1","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Batsanov, Andrei S.; Santos, Jose; Dias, Fernando B.; Bryce, Martin R.","Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.","The Journal of organic chemistry","2018","83","23","14431","14442","10.1021/acs.joc.8b02187","","x-ray","0.71073","MoKα","","0.0734","0.0466","","","0.1048","0.1154","","","","","","1.018","","","","has coordinates","227163","2020-10-21","18:00:00",""
"4035716","7.524","0.006","8.604","0.007","10.117","0.009","78.717","0.013","80.118","0.013","84.188","0.013","631.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F N4 O -","- C15 H11 F N4 O -","- C30 H22 F2 N8 O2 -","2","1","","Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Jia, Feng-Cheng; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromobenzaldehydes, Aryl Methyl Ketones, and Sodium Azide: Access to 1 H-[1,2,3]Triazolo[4,5- c]quinoline Derivatives.","The Journal of organic chemistry","2018","83","23","14802","14810","10.1021/acs.joc.8b02476","","","0.71073","MoKα","","0.0849","0.0534","","","0.1548","0.181","","","","","","0.996","","","","has coordinates","227164","2020-10-21","18:00:00",""
"4035717","8.062","0.0013","19.221","0.003","11.3185","0.0018","90","","101.069","0.003","90","","1721.3","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N4 O3 S -","- C18 H16 N4 O3 S -","- C72 H64 N16 O12 S4 -","4","1","","Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Jia, Feng-Cheng; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromobenzaldehydes, Aryl Methyl Ketones, and Sodium Azide: Access to 1 H-[1,2,3]Triazolo[4,5- c]quinoline Derivatives.","The Journal of organic chemistry","2018","83","23","14802","14810","10.1021/acs.joc.8b02476","","","0.71073","MoKα","","0.0962","0.0481","","","0.1331","0.1622","","","","","","1.005","","","","has coordinates,has disorder","227165","2020-10-21","18:00:00",""
"4035718","11.9046","0.0017","12.6632","0.0018","18.593","0.003","90","","90","","90","","2802.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 S -","- C30 H36 N2 O3 S -","- C120 H144 N8 O12 S4 -","4","1","","Shen, Xianfu; Zhao, Jingfeng; Xi, Yongkai; Chen, Wen; Zhou, Yongyun; Yang, Xiaodong; Zhang, Hongbin","Enantioselective Total Synthesis of (+)-Nocardioazine B.","The Journal of organic chemistry","2018","83","23","14507","14517","10.1021/acs.joc.8b02329","","","0.71073","MoKα","","0.0426","0.0345","","","0.082","0.0862","","","","","","1.024","","","","has coordinates","227166","2020-10-21","18:00:00",""
"4035719","7.5067","0.0019","12.18","0.003","16.789","0.004","82.413","0.003","77.103","0.003","75.947","0.003","1446.6","0.6","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N4 O4 S2 -","- C32 H24 N4 O4 S2 -","- C64 H48 N8 O8 S4 -","2","1","","Wen, Hao; Cao, Wei; Liu, Yu; Wang, Liang; Chen, Ping; Tang, Yu","Metal-Free [2 + 2 + 2] Cycloaddition of Ynamide-Nitriles with Ynamides: A Highly Regio- and Chemoselective Synthesis of δ-Carboline Derivatives.","The Journal of organic chemistry","2018","83","21","13308","13324","10.1021/acs.joc.8b02112","","","0.71073","MoKα","","0.0707","0.0449","","","0.0983","0.1101","","","","","","1.005","","","","has coordinates","227167","2020-10-21","18:00:00",""
"4035720","10.0296","0.0018","13.277","0.002","14.687","0.003","64.959","0.002","81.93","0.002","89.212","0.002","1752.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","2","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Selective Synthesis of Aminoisoquinolines via Rh(III)-Catalyzed C-H/N-H Bond Functionalization of N-Aryl Amidines with Cyclic 2-Diazo-1,3-diketones.","The Journal of organic chemistry","2018","83","21","13463","13472","10.1021/acs.joc.8b02286","","","0.71073","MoKα","","0.1027","0.059","","","0.1519","0.1812","","","","","","1.023","","","","has coordinates","227168","2020-10-21","18:00:00",""
"4035721","14.1476","0.0004","8.5323","0.0003","16.5469","0.0005","90","","105.099","0.0011","90","","1928.45","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.0509","0.0451","","","0.1251","0.1324","","","","","","1.05","","","","has coordinates","227169","2020-10-21","18:00:00",""
"4035722","8.9486","0.0004","20.9444","0.0009","9.7258","0.0004","90","","108.262","0.0015","90","","1731.03","0.13","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.052","0.0406","","","0.1097","0.1195","","","","","","1.044","","","","has coordinates","227170","2020-10-21","18:00:00",""
"4035723","12.8096","0.0009","9.378","0.0007","17.6402","0.0012","90","","104.625","0.002","90","","2050.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F6 N2 -","- C26 H16 F6 N2 -","- C104 H64 F24 N8 -","4","0.5","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.0514","0.0469","","","0.131","0.1368","","","","","","1.028","","","","has coordinates","227171","2020-10-21","18:00:00",""
"4035724","13.4563","0.0003","11.6667","0.0002","9.5707","0.0002","90","","108.431","0.002","90","","1425.44","0.05","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ahmad, Tanveer; Qiu, Sheng-Qi; Xu, Yun-He; Loh, Teck-Peng","Palladium-Catalyzed One-Pot Highly Regioselective 6- Endo Cyclization and Alkylation of Enynoates: Synthesis of 2-Alkanone Pyrones.","The Journal of organic chemistry","2018","83","21","13414","13426","10.1021/acs.joc.8b02198","","","1.54184","CuKα","","0.0494","0.0424","","","0.1194","0.1257","","","","","","1.068","","","","has coordinates","227172","2020-10-21","18:00:00",""
"4035725","9.66","0.003","9.728","0.002","10.133","0.002","114.581","0.012","115.678","0.013","92.034","0.015","752.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem314_0m_a","","","- C16 H13 F3 N2 O2 -","- C16 H13 F3 N2 O2 -","- C32 H26 F6 N4 O4 -","2","1","","Ghosh, Payel; Mondal, Susmita; Hajra, Alakananda","Metal-Free Trifluoromethylation of Indazoles.","The Journal of organic chemistry","2018","83","21","13618","13623","10.1021/acs.joc.8b02312","","","0.71073","MoKα","","0.1169","0.0703","","","0.1868","0.2451","","","","","","1.096","","","","has coordinates","227173","2020-10-21","18:00:00",""
"4035726","10.3382","0.0004","15.8744","0.0006","30.8331","0.0012","90","","96.297","0.001","90","","5029.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B N2 O2 -","- C32 H23 B N2 O2 -","- C256 H184 B8 N16 O16 -","8","2","","Qiu, Feng; Zhang, Ning; Tang, Ruizhi; Zhou, Mingan; Wang, Yao; Wei, Weiwei; Bi, Shuai; Han, Sheng; Zhang, Fan","Asymmetric Boron-Cored Aggregation-Induced Emission Luminogen with Multiple Functions Synthesized through Stepwise Conversion from a Symmetric Ligand.","The Journal of organic chemistry","2018","83","21","12977","12984","10.1021/acs.joc.8b01340","","","0.71073","MoKα","","0.1541","0.0602","","","0.1368","0.1883","","","","","","1.001","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4035727","6.148","0.0003","9.3553","0.0007","21.4639","0.0014","97.508","0.006","91.047","0.005","93.474","0.005","1221.26","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Br N2 O6 -","- C27 H25 Br N2 O6 -","- C54 H50 Br2 N4 O12 -","2","1","","Zhang, Xiaofeng; Qiu, Weiqi; Ma, Xiaoming; Evans, Jason; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei","One-Pot Double [3 + 2] Cycloadditions for Diastereoselective Synthesis of Pyrrolidine-Based Polycyclic Systems.","The Journal of organic chemistry","2018","83","21","13536","13542","10.1021/acs.joc.8b02046","","x-ray","1.54184","CuKα","","0.0544","0.0437","","","0.111","0.1208","","","","","","1.037","","","","has coordinates","227175","2020-10-21","18:00:00",""
"4035728","14.6471","0.0003","9.827","0.0002","19.3981","0.0003","90","","104.564","0.002","90","","2702.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Br N2 O7 -","- C29 H29 Br N2 O7 -","- C116 H116 Br4 N8 O28 -","4","1","","Zhang, Xiaofeng; Qiu, Weiqi; Ma, Xiaoming; Evans, Jason; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei","One-Pot Double [3 + 2] Cycloadditions for Diastereoselective Synthesis of Pyrrolidine-Based Polycyclic Systems.","The Journal of organic chemistry","2018","83","21","13536","13542","10.1021/acs.joc.8b02046","","x-ray","1.54184","CuKα","","0.049","0.0404","","","0.1029","0.1098","","","","","","1.032","","","","has coordinates","227176","2020-10-21","18:00:00",""
"4035729","12.033","0.001","6.0968","0.0004","19.8777","0.0015","90","","100.626","0.006","90","","1433.28","0.19","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0945","0.0636","","","0.1545","0.1771","","","","","","0.964","","","","has coordinates","227177","2020-10-21","18:00:00",""
"4035730","7.852","0.0009","8.2413","0.001","9.9554","0.001","105.429","0.009","98.805","0.009","111.433","0.009","555.12","0.13","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C26 H16 Cl2 N6 O2 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0998","0.0519","","","0.128","0.1505","","","","","","0.866","","","","has coordinates","227178","2020-10-21","18:00:00",""
"4035731","6.077","0.0012","5.3497","0.0011","18.327","0.004","90","","91.47","0.03","90","","595.6","0.2","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 N3 O3 -","- C14 H9 N3 O3 -","- C28 H18 N6 O6 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1167","0.0628","","","0.1516","0.1871","","","","","","1.01","","","","has coordinates","227179","2020-10-21","18:00:00",""
"4035732","9.6161","0.0019","9.1313","0.0018","12.11","0.002","90","","98.97","0.03","90","","1050.3","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C44 H36 Cl4 N8 O8 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1312","0.0508","","","0.1124","0.1508","","","","","","1.005","","","","has coordinates","227180","2020-10-21","18:00:00",""
"4035733","6.565","0.0006","7.459","0.0007","12.7782","0.0013","76.752","0.008","85.465","0.007","84.582","0.007","605.29","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H5 F5 N2 O -","- C14 H5 F5 N2 O -","- C28 H10 F10 N4 O2 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0958","0.0611","","","0.1411","0.1564","","","","","","1.105","","","","has coordinates","227181","2020-10-21","18:00:00",""
"4035734","15.118","0.0013","4.9468","0.0003","19.2855","0.0016","90","","104.553","0.007","90","","1396.01","0.19","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0942","0.0451","","","0.1007","0.1189","","","","","","0.912","","","","has coordinates","227182","2020-10-21","18:00:00",""
"4035735","6.578","0.0013","7.3496","0.0015","19.89","0.004","96.85","0.03","97.83","0.03","99.42","0.03","929.9","0.4","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C44 H46 Cl2 N4 O4 -","2","2","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1432","0.0621","","","0.1313","0.1688","","","","","","0.932","","","","has coordinates","227183","2020-10-21","18:00:00",""
"4035736","5.301","0.0004","9.2387","0.0005","24.657","0.002","90","","90.116","0.006","90","","1207.56","0.15","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0603","0.042","","","0.11","0.1258","","","","","","1.033","","","","has coordinates","227184","2020-10-21","18:00:00",""
"4035737","12.1285","0.0009","12.3249","0.0011","10.0239","0.0008","90","","108.372","0.004","90","","1422","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0765","0.0404","","","0.0747","0.0862","","","","","","0.988","","","","has coordinates","227185","2020-10-21","18:00:00",""
"4035738","13.7083","0.0011","12.3985","0.0009","9.9543","0.0009","90","","106.045","0.004","90","","1625.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br Cl N O2 -","- C16 H13 Br Cl N O2 -","- C64 H52 Br4 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.2673","0.0573","","","0.1208","0.186","","","","","","0.888","","","","has coordinates","227186","2020-10-21","18:00:00",""
"4035739","9.164","0.002","10.361","0.003","10.743","0.003","72.38","0.003","79.695","0.003","89.502","0.003","955.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cl N2 O4 -","- C22 H17 Cl N2 O4 -","- C44 H34 Cl2 N4 O8 -","2","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0593","0.0433","","","0.0925","0.1","","","","","","0.933","","","","has coordinates","227187","2020-10-21","18:00:00",""
"4035740","12.1146","0.0016","12.3208","0.0018","10.0165","0.0011","90","","108.32","0.006","90","","1419.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.089","0.0496","","","0.0848","0.097","","","","","","0.953","","","","has coordinates","227188","2020-10-21","18:00:00",""
"4035741","9.868","0.003","12.526","0.003","24.997","0.007","90","","97.218","0.003","90","","3065.3","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 N O2 -","- C16 H13 Cl2 N O2 -","- C128 H104 Cl16 N8 O16 -","8","2","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0693","0.0443","","","0.0956","0.1054","","","","","","1.009","","","","has coordinates","227189","2020-10-21","18:00:00",""
"4035742","5.445","0.01","19.36","0.03","20.96","0.04","90","","92.27","0.03","90","","2208","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.2407","0.0739","","","0.1778","0.2603","","","","","","0.945","","","","has coordinates","227190","2020-10-21","18:00:00",""
"4035743","10.0281","0.0003","13.8303","0.0003","14.9525","0.0003","90","","90","","90","","2073.79","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","1.54184","CuKα","","0.0586","0.046","","","0.1059","0.1164","","","","","","1.018","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035744","32.892","0.003","10.8432","0.0006","12.7644","0.0007","90","","100.51","0.008","90","","4476.1","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C208 H288 O40 -","8","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0544","0.0419","","","0.1026","0.1115","","","","","","1.04","","","","has coordinates,has disorder","227191","2020-10-21","18:00:00",""
"4035745","8.8319","0.0004","10.1843","0.0005","12.079","0.0006","94.713","0.004","102.968","0.004","114.675","0.005","942.92","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","1.54184","CuKα","","0.0572","0.0431","","","0.1079","0.1192","","","","","","1.025","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035746","11.7913","0.0008","12.8318","0.0008","14.313","0.0004","84.236","0.003","83.69","0.004","64.991","0.006","1947.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C84 H108 Br4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0736","0.035","","","0.0713","0.076","","","","","","0.853","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035747","11.9049","0.0008","13.0663","0.0007","14.3669","0.0006","82.833","0.004","82.432","0.004","65.736","0.006","2013.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 I O4 -","- C21 H27 I O4 -","- C84 H108 I4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0607","0.0432","","","0.0921","0.1035","","","","","","1.065","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035748","16.6717","0.0011","10.9343","0.0005","13.0037","0.0008","90","","102.86","0.007","90","","2311","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Br O4 -","- C26 H35 Br O4 -","- C104 H140 Br4 O16 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0846","0.0582","","","0.1459","0.1635","","","","","","1.029","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035749","12.0848","0.0005","12.2104","0.0005","18.6095","0.0008","100.616","0.003","91.338","0.003","117.941","0.004","2365.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H35 I O4 -","- C26 H35 I O4 -","- C104 H140 I4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0591","0.0417","","","0.0837","0.0921","","","","","","1.038","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035750","11.1181","0.0007","12.8001","0.0006","13.9682","0.0007","90","","110.718","0.007","90","","1859.3","0.19","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0721","0.046","","","0.0929","0.1055","","","","","","1.043","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035751","12.9743","0.0011","5.0822","0.0005","23.572","0.002","90","","95.159","0.001","90","","1548","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F I O2 -","- C18 H12 F I O2 -","- C72 H48 F4 I4 O8 -","4","1","","Li, Heng; Zhou, Peng; Xie, Feng; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","I<sub>2</sub>-Mediated Iodobenzannulation of Yne-Allenones toward 1-Naphthols and Their Synthetic Application.","The Journal of organic chemistry","2018","83","21","13335","13343","10.1021/acs.joc.8b02108","","","0.71073","MoKα","","0.1171","0.0855","","","0.1696","0.1795","","","","","","1.102","","","","has coordinates","227192","2020-10-21","18:00:00",""
"4035752","12.5461","0.0011","8.815","0.0008","20.0989","0.0017","90","","117.602","0.004","90","","1969.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Li, Heng; Zhou, Peng; Xie, Feng; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","I<sub>2</sub>-Mediated Iodobenzannulation of Yne-Allenones toward 1-Naphthols and Their Synthetic Application.","The Journal of organic chemistry","2018","83","21","13335","13343","10.1021/acs.joc.8b02108","","","0.71073","MoKα","","0.1831","0.061","","","0.0917","0.1126","","","","","","0.92","","","","has coordinates","227193","2020-10-21","18:00:00",""
"4035753","8.2852","0.0004","9.7366","0.0005","16.1667","0.0009","73.664","0.005","78.191","0.004","74.714","0.004","1195.18","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O7.1 -","- C25 H31 N3 O7.1 -","- C50 H62 N6 O14.2 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0424","0.0338","","","0.0971","0.0998","","","","","","1.16","","","","has coordinates,has disorder","227194","2020-10-21","18:00:00",""
"4035754","15.4069","0.0005","8.8605","0.0003","21.2971","0.0006","90","","108.059","0.003","90","","2764.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 N2 O9 -","- C29 H34 N2 O9 -","- C116 H136 N8 O36 -","4","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0573","0.043","","","0.1216","0.1382","","","","","","1.109","","","","has coordinates","227195","2020-10-21","18:00:00",""
"4035755","10.0889","0.0003","10.3082","0.0004","13.8457","0.0005","98.23","0.003","100.885","0.003","102.672","0.003","1353.74","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O8 -","- C28 H28 Cl2 N2 O8 -","- C56 H56 Cl4 N4 O16 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0403","0.033","","","0.0986","0.11","","","","","","1.094","","","","has coordinates","227196","2020-10-21","18:00:00",""
"4035756","10.343","0.0003","10.3673","0.0003","14.2508","0.0004","101.735","0.003","98.35","0.003","104.31","0.002","1418.63","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 Cl2 N3 O7 -","- C29 H31 Cl2 N3 O7 -","- C58 H62 Cl4 N6 O14 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0418","0.0366","","","0.0997","0.1049","","","","","","1.102","","","","has coordinates","227197","2020-10-21","18:00:00",""
"4035757","10.881","0.004","11.034","0.004","11.452","0.008","74.96","0.04","66.73","0.05","79.25","0.03","1214.3","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N2 O8 -","- C25.002 H25 N2 O8.002 -","- C50.004 H50 N4 O16.004 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.104","0.0476","","","0.1307","0.1439","","","","","","0.817","","","","has coordinates,has disorder","227198","2020-10-21","18:00:00",""
"4035758","5.383","0.005","11.95","0.012","19.616","0.019","89.964","0.013","89.969","0.014","85.193","0.012","1257","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O7 -","- C11 H10 N2 O7 -","- C44 H40 N8 O28 -","4","2","","Islam, Abu Saleh Musha; Bhowmick, Rahul; Chandra Garain, Bidhan; Katarkar, Atul; Ali, Mahammad","Nitric Oxide Sensing through 1,2,3,4-Oxatriazole Formation from Acylhydrazide: A Kinetic Study.","The Journal of organic chemistry","2018","83","21","13287","13295","10.1021/acs.joc.8b02110","","","0.71073","MoKα","","0.3408","0.1113","","","0.2123","0.3119","","","","","","1.021","","","","has coordinates","227199","2020-10-21","18:00:00",""
"4035759","12.5876","0.0002","22.9066","0.0004","24.9791","0.0004","106.21","0.0014","90.5433","0.0013","95.2728","0.0013","6882.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C145.6 H196.4 Cl2 F5.2 N16 -","- C145.6 H196.4 Cl2 F5.2 N16 -","- C291.2 H392.8 Cl4 F10.4 N32 -","2","1","","Molina-Muriel, Ricardo; Aragay, Gemma; Escudero-Adán, Eduardo C; Ballester, Pablo","Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle.","The Journal of organic chemistry","2018","83","21","13507","13514","10.1021/acs.joc.8b02449","","","0.7107","MoKα","","0.1522","0.1046","","","0.3132","0.3467","","","","","","1.412","","","","has coordinates,has disorder","227200","2020-10-21","18:00:00",""
"4035760","11.409","0.0005","44.6389","0.0019","21.1247","0.0008","90","","101.254","0.004","90","","10551.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C115 H152 Cl2 F N16 -","- C115 H152 Cl2 F N16 -","- C460 H608 Cl8 F4 N64 -","4","1","","Molina-Muriel, Ricardo; Aragay, Gemma; Escudero-Adán, Eduardo C; Ballester, Pablo","Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle.","The Journal of organic chemistry","2018","83","21","13507","13514","10.1021/acs.joc.8b02449","","","0.7107","MoKα","","0.1922","0.0882","","","0.2054","0.2397","","","","","","1.207","","","","has coordinates,has disorder","227201","2020-10-21","18:00:00",""
"4035761","14.4582","0.0006","7.4973","0.0003","23.2194","0.0007","90","","128.512","0.002","90","","1969.44","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O7 -","- C22 H21 N O7 -","- C88 H84 N4 O28 -","4","1","","Yao, Tuanli; Guo, Zhen; Liang, Xiujuan; Qi, Lihan","Regio- and Stereoselective Electrophilic Cyclization Approach for the Protecting-Group-Free Synthesis of Alkaloids Lennoxamine, Chilenine, Fumaridine, 8-Oxypseudoplamatine, and 2- O-(Methyloxy)fagaronine.","The Journal of organic chemistry","2018","83","21","13370","13380","10.1021/acs.joc.8b02154","","","0.71073","MoKα","","0.2153","0.0661","","","0.1024","0.1411","","","","","","0.897","","","","has coordinates","227202","2020-10-21","18:00:00",""
"4035762","8.3905","0.0004","19.0515","0.0006","8.2699","0.0004","90","","116.65","0.006","90","","1181.52","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Smetanin, Ilia A.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 2-(Di/tri/tetraazolyl)-2 H-azirine-2-carboxylates by Halogen Substitution: Evidence for an S<sub>N</sub>2'-S<sub>N</sub>2' Cascade Mechanism.","The Journal of organic chemistry","2018","83","21","13473","13480","10.1021/acs.joc.8b02295","","x-ray","1.54184","CuKα","","0.0395","0.0357","","","0.0945","0.0987","","","","","","1.043","","","","has coordinates","227203","2020-10-21","18:00:00",""
"4035763","12.6636","0.0002","12.667","0.0002","17.6579","0.0003","90","","109.067","0.002","90","","2677.1","0.08","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N6 O3 -","- C31 H28 N6 O3 -","- C124 H112 N24 O12 -","4","1","","Li, Lingjun; Huang, Shenlong; Shang, Tongpeng; Zhang, Bo; Guo, Yuanyang; Zhu, Gongming; Zhou, Demin; Zhang, Guisheng; Zhu, Anlian; Zhang, Lihe","Medium Rings Bearing Bitriazolyls: Easily Accessible Structures with Superior Performance as Cu Catalyst Ligands.","The Journal of organic chemistry","2018","83","21","13166","13177","10.1021/acs.joc.8b01899","","x-ray","1.54184","CuKα","","0.0841","0.0562","","","0.1742","0.1789","","","","","","1.331","","","","has coordinates","227204","2020-10-21","18:00:00",""
"4035764","8.2396","0.0002","11.5901","0.0005","12.2867","0.0006","107.523","0.004","104.775","0.003","90.14","0.003","1077.91","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N6 O2 -","- C23 H24 N6 O2 -","- C46 H48 N12 O4 -","2","1","","Li, Lingjun; Huang, Shenlong; Shang, Tongpeng; Zhang, Bo; Guo, Yuanyang; Zhu, Gongming; Zhou, Demin; Zhang, Guisheng; Zhu, Anlian; Zhang, Lihe","Medium Rings Bearing Bitriazolyls: Easily Accessible Structures with Superior Performance as Cu Catalyst Ligands.","The Journal of organic chemistry","2018","83","21","13166","13177","10.1021/acs.joc.8b01899","","x-ray","1.54184","CuKα","","0.0738","0.0549","","","0.1661","0.174","","","","","","1.178","","","","has coordinates","227205","2020-10-21","18:00:00",""
"4035765","26.219","0.005","5.8096","0.0011","14.123","0.003","90","","105.602","0.005","90","","2072","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C88 H96 O40 -","8","2","","Vil', Vera A.; Gomes, Gabriel Dos Passos; Ekimova, Maria V.; Lyssenko, Konstantin A.; Syroeshkin, Mikhail A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Five Roads That Converge at the Cyclic Peroxy-Criegee Intermediates: BF<sub>3</sub>-Catalyzed Synthesis of β-Hydroperoxy-β-peroxylactones.","The Journal of organic chemistry","2018","83","21","13427","13445","10.1021/acs.joc.8b02218","","","0.71073","MoKα","","0.0658","0.0539","","","0.1312","0.1396","","","","","","1.023","","","","has coordinates","227206","2020-10-21","18:00:00",""
"4035766","28.22","0.004","5.8112","0.0007","14.3654","0.0018","90","","104.727","0.003","90","","2278.4","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl O5 -","- C11 H11 Cl O5 -","- C88 H88 Cl8 O40 -","8","2","","Vil', Vera A.; Gomes, Gabriel Dos Passos; Ekimova, Maria V.; Lyssenko, Konstantin A.; Syroeshkin, Mikhail A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Five Roads That Converge at the Cyclic Peroxy-Criegee Intermediates: BF<sub>3</sub>-Catalyzed Synthesis of β-Hydroperoxy-β-peroxylactones.","The Journal of organic chemistry","2018","83","21","13427","13445","10.1021/acs.joc.8b02218","","","0.71073","MoKα","","0.0788","0.0703","","","0.1824","0.1896","","","","","","1.122","","","","has coordinates,has disorder","227207","2020-10-21","18:00:00",""
"4035767","10.689","0.005","11.005","0.005","22.45","0.01","90","","90","","90","","2641","2","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Vlahoviček-Kahlina, Kristina; Vazdar, Mario; Jakas, Andreja; Smrečki, Vilko; Jerić, Ivanka","Synthesis of Glycomimetics by Diastereoselective Passerini Reaction.","The Journal of organic chemistry","2018","83","21","13146","13156","10.1021/acs.joc.8b01874","","x-ray","1.54179","CuKα","","0.0699","0.0642","","","0.1701","0.1806","","","","","","0.998","","","","has coordinates","227208","2020-10-21","18:00:00",""
"4035768","6.4115","0.0017","8.767","0.002","14.597","0.004","78.988","0.003","83.727","0.003","86.868","0.003","800.1","0.4","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, Kadaiahgari; Ghosh, Saswati; Mukherjee, Kaustuv; Mandal, Chitra","Detection of Lysosome by a Fluorescent Heterocycle: Development of Fused Pyrido-Imidazo-Indole Framework via Cu-Catalyzed Tandem N-Arylation.","The Journal of organic chemistry","2018","83","21","13011","13018","10.1021/acs.joc.8b01513","","","0.71073","MoKα","","0.0948","0.0614","","","0.1521","0.182","","","","","","1.04","","","","has coordinates","227209","2020-10-21","18:00:00",""
"4035769","7.64","0.003","8.93","0.004","11.458","0.005","72.751","0.004","75.543","0.005","79.079","0.005","717.3","0.5","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H12 N4 -","- C19 H12 N4 -","- C38 H24 N8 -","2","1","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, Kadaiahgari; Ghosh, Saswati; Mukherjee, Kaustuv; Mandal, Chitra","Detection of Lysosome by a Fluorescent Heterocycle: Development of Fused Pyrido-Imidazo-Indole Framework via Cu-Catalyzed Tandem N-Arylation.","The Journal of organic chemistry","2018","83","21","13011","13018","10.1021/acs.joc.8b01513","","","0.71073","MoKα","","0.0767","0.0588","","","0.1583","0.1796","","","","","","1.026","","","","has coordinates","227210","2020-10-21","18:00:00",""
"4035770","17.4965","0.0008","8.3662","0.0003","24.4494","0.0012","90","","112.004","0.006","90","","3318.2","0.3","290.04","0.1","290.04","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cl F2 N2 O3 -","- C15 H15 Cl F2 N2 O3 -","- C120 H120 Cl8 F16 N16 O24 -","8","1","","Ma, Jun-Wei; Wang, Qiang; Wang, Xin-Gang; Liang, Yong-Min","Palladium-Catalyzed Cascade Difluoroalkylation/Cyclization of N-Propargylamides: Synthesis of Oxazoles and Oxazolines.","The Journal of organic chemistry","2018","83","21","13296","13307","10.1021/acs.joc.8b02111","","x-ray","0.71073","MoKα","","0.073","0.0472","","","0.1023","0.1219","","","","","","1.062","","","","has coordinates","227211","2020-10-21","18:00:00",""
"4035771","6.1733","0.0005","8.5095","0.001","14.0773","0.0018","92.458","0.01","99.125","0.009","104.26","0.009","705.05","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl F2 N2 O3 -","- C13 H11 Cl F2 N2 O3 -","- C26 H22 Cl2 F4 N4 O6 -","2","1","","Ma, Jun-Wei; Wang, Qiang; Wang, Xin-Gang; Liang, Yong-Min","Palladium-Catalyzed Cascade Difluoroalkylation/Cyclization of N-Propargylamides: Synthesis of Oxazoles and Oxazolines.","The Journal of organic chemistry","2018","83","21","13296","13307","10.1021/acs.joc.8b02111","","","1.54184","CuKα","","0.1006","0.0934","","","0.2842","0.315","","","","","","1.292","","","","has coordinates","227212","2020-10-21","18:00:00",""
"4035772","8.3559","0.0007","23.62","0.002","12.4025","0.001","90","","100.823","0.004","90","","2404.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","vbchem255_a","","- C27 H20 F N O5 S2 -","- C27 H20 F N O5 S2 -","- C108 H80 F4 N4 O20 S8 -","4","1","","Samanta, Sadhanendu; Hajra, Alakananda","Divergent Synthesis of Allenylsulfonamide and Enaminonesulfonamide via In(III)-Catalyzed Couplings of Propargylamine and N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","21","13157","13165","10.1021/acs.joc.8b01882","","","0.71073","MoKα","","0.0978","0.0734","","","0.1931","0.2133","","","","","","1.406","","","","has coordinates","227213","2020-10-21","18:00:00",""
"4035773","8.993","0.007","15.405","0.012","19.491","0.015","104.505","0.008","90.034","0.009","90.131","0.008","2614","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem288_a","","","- C28 H23 N O4 S2 -","- C28 H23 N O4 S2 -","- C112 H92 N4 O16 S8 -","4","2","","Samanta, Sadhanendu; Hajra, Alakananda","Divergent Synthesis of Allenylsulfonamide and Enaminonesulfonamide via In(III)-Catalyzed Couplings of Propargylamine and N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","21","13157","13165","10.1021/acs.joc.8b01882","","","0.71073","MoKα","","0.136","0.0898","","","0.2277","0.2557","","","","","","1.428","","","","has coordinates","227214","2020-10-21","18:00:00",""
"4035774","28.5703","0.001","28.5703","0.001","9.311","0.0004","90","","90","","120","","6582","0.4","293","2","293.15","","","","","","","","","4","P 64","P 64","172","","","","- C43 H53 N O8 -","- C43 H53 N O8 -","- C258 H318 N6 O48 -","6","1","","Song, Tengfei; Chen, Mengxuan; Ge, Zhi-Wei; Chai, Weiyun; Li, Xing-Cong; Zhang, Zhizhen; Lian, Xiao-Yuan","Bioactive Penicipyrrodiether A, an Adduct of GKK1032 Analogue and Phenol A Derivative, from a Marine-Sourced Fungus Penicillium sp. ZZ380.","The Journal of organic chemistry","2018","83","21","13395","13401","10.1021/acs.joc.8b02172","","","1.54184","CuKα","","0.0935","0.0792","","","0.2187","0.238","","","","","","1.097","","","","has coordinates","227215","2020-10-21","18:00:00",""
"4035775","6.5496","0.0004","10.8428","0.0006","27.6666","0.0015","90","","90","","90","","1964.77","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LMC-04-038","LMC-04-038","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Lacker, Caitlin R.; Wu, Linglin; Reisman, Sarah E.","Evolution of a Strategy for the Enantioselective Total Synthesis of (+)-Psiguadial B.","The Journal of organic chemistry","2018","83","11","6066","6085","10.1021/acs.joc.8b00728","","","1.54178","CuKα","","0.03","0.0272","","","0.0655","0.0672","","","","","","1.021","","","","has coordinates","227216","2020-10-21","18:00:00",""
"4035776","5.2551","0.0006","8.3833","0.0008","15.9413","0.0016","80.053","0.008","84.296","0.009","86.691","0.009","687.72","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Wu, Feifei; Zhang, Min; Zhou, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Copper(I)-Catalyzed N-O Bond Formation through Vinyl Nitrene Mediated Pathway under Mild Conditions.","The Journal of organic chemistry","2018","83","11","5999","6005","10.1021/acs.joc.8b00605","","","0.71073","MoKα","","0.0684","0.0498","","","0.1236","0.1412","","","","","","1.017","","","","has coordinates","227217","2020-10-21","18:00:00",""
"4035777","5.3098","0.0005","15.9656","0.0013","19.7582","0.0019","113.815","0.009","93.449","0.008","93.537","0.007","1522.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","2","","Wu, Feifei; Zhang, Min; Zhou, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Copper(I)-Catalyzed N-O Bond Formation through Vinyl Nitrene Mediated Pathway under Mild Conditions.","The Journal of organic chemistry","2018","83","11","5999","6005","10.1021/acs.joc.8b00605","","","0.71073","MoKα","","0.0983","0.0608","","","0.1517","0.1893","","","","","","1.023","","","","has coordinates","227218","2020-10-21","18:00:00",""
"4035778","10.578","0.004","10.734","0.004","12.077","0.005","90.378","0.007","104.548","0.007","109.881","0.007","1241.8","0.8","298","2","298.15","","","","","","","","","5","P 1","P 1","1","","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C54 H60 N4 O8 S2 -","2","2","","Mason, Jeremy D.; Weinreb, Steven M.","Synthesis of Alstoscholarisines A-E, Monoterpene Indole Alkaloids with Modulating Effects on Neural Stem Cells.","The Journal of organic chemistry","2018","83","11","5877","5896","10.1021/acs.joc.8b00889","","","0.71073","MoKα","","0.1023","0.0744","","","0.1872","0.209","","","","","","1.03","","","","has coordinates","227219","2020-10-21","18:00:00",""
"4035779","13.6366","0.0008","24.0463","0.0011","36.97","0.002","90","","90","","90","","12122.8","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C656 H512 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1129","0.059","","","0.1202","0.1335","","","","","","1.022","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035780","13.4284","0.0013","14.8108","0.0014","18.7925","0.0018","85.621","0.003","85.759","0.003","64.039","0.003","3347.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cl N2 O -","- C41 H31 Cl N2 O -","- C164 H124 Cl4 N8 O4 -","4","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1388","0.0748","","","0.1999","0.2209","","","","","","1.09","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035781","11.9933","0.0012","26.441","0.003","10.9468","0.0011","90","","91.761","0.004","90","","3469.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C168 H136 N8 O4 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1546","0.0756","","","0.2047","0.2342","","","","","","1.047","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035782","10.0551","0.0012","13.9307","0.0016","14.3219","0.0016","105.884","0.004","101.048","0.004","101.07","0.004","1829.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C84 H68 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1519","0.0758","","","0.2328","0.2594","","","","","","1.075","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035783","11.639","0.002","13.469","0.002","14.068","0.003","118.311","0.005","106.032","0.005","95.844","0.005","1794.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cl4 N2 O -","- C42 H32 Cl4 N2 O -","- C84 H64 Cl8 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1656","0.0666","","","0.1359","0.155","","","","","","1.014","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035784","11.4683","0.0017","12.6934","0.0017","13.202","0.0019","76.23","0.005","74.653","0.005","78.53","0.003","1781","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Cl N2 O -","- C40 H35 Cl N2 O -","- C80 H70 Cl2 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1319","0.0871","","","0.2474","0.262","","","","","","1.08","","","","has coordinates,has disorder","227220","2020-10-21","18:00:00",""
"4035785","13.4054","0.001","21.7037","0.0015","9.9449","0.0007","90","","97.042","0.002","90","","2871.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N2 O3 -","- C35 H34 N2 O3 -","- C140 H136 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1495","0.0619","","","0.1285","0.1571","","","","","","1.018","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035786","18.6639","0.0014","19.7338","0.0016","30.808","0.003","90","","90","","90","","11346.9","1.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H30 N2 O -","- C34 H30 N2 O -","- C544 H480 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1303","0.0696","","","0.1813","0.2203","","","","","","1.059","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035787","19.7225","0.0007","19.7225","0.0007","15.4255","0.0006","90","","90","","90","","6000.2","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H27 Cl N2 O -","- C33 H27 Cl N2 O -","- C264 H216 Cl8 N16 O8 -","8","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.0824","0.0516","","","0.1218","0.1351","","","","","","1.05","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035788","10.1559","0.0012","11.5592","0.0013","12.7266","0.0014","64.486","0.003","71.763","0.004","64.08","0.003","1198.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O3 -","- C28 H25 Cl N2 O3 -","- C56 H50 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.0858","0.0555","","","0.1298","0.1399","","","","","","1.058","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035789","12.1429","0.0007","7.2183","0.0004","17.3189","0.0011","90","","92.941","0.004","90","","1516.02","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C72 H56 Cl4 N4 O8 -","4","1","","Das, Malay; Saikia, Anil K.","Stereoselective Synthesis of Pyrroloisoindolone and Pyridoisoindolone via aza-Prins Cyclization of Endocyclic N-Acyliminium Ions.","The Journal of organic chemistry","2018","83","11","6178","6185","10.1021/acs.joc.8b00440","","","0.71073","MoKα","","0.0705","0.0397","","","0.068","0.0787","","","","","","0.904","","","","has coordinates","227221","2020-10-21","18:00:00",""
"4035790","8.1721","0.0003","10.6004","0.0005","13.6501","0.0005","90","","95.223","0.003","90","","1177.56","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 Si -","- C24 H31 N O2 Si -","- C48 H62 N2 O4 Si2 -","2","1","","Zheng, Nan; Song, Wangze; Zhang, Tiexin; Li, Ming; Zheng, Yubin; Chen, Lingyue","Rhodium-Catalyzed Highly Regioselective and Stereoselective Intermolecular Hydrosilylation of Internal Ynamides under Mild Conditions.","The Journal of organic chemistry","2018","83","11","6210","6216","10.1021/acs.joc.8b00695","","","0.71073","MoKα","","0.0402","0.0346","","","0.0839","0.0874","","","","","","1.039","","","","has coordinates","227222","2020-10-21","18:00:00",""
"4035791","8.4214","0.0005","11.5257","0.0007","22.6933","0.0015","90","","90","","90","","2202.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0612","0.0415","","","0.0989","0.1099","","","","","","1.073","","","","has coordinates","227223","2020-10-21","18:00:00",""
"4035792","9.1524","0.0006","11.9912","0.0007","16.2594","0.001","90","","104.48","0.002","90","","1727.76","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0609","0.0451","","","0.1211","0.144","","","","","","1.073","","","","has coordinates","227224","2020-10-21","18:00:00",""
"4035793","10.6766","0.0019","12.442","0.002","12.841","0.002","109.01","0.002","106.262","0.002","107.322","0.002","1398.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 N O4 S2 -","- C33 H25 N O4 S2 -","- C66 H50 N2 O8 S4 -","2","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0838","0.052","","","0.1288","0.1579","","","","","","1.061","","","","has coordinates","227225","2020-10-21","18:00:00",""
"4035794","9.2961","0.0019","11.453","0.003","13.679","0.003","66.577","0.007","83.279","0.007","87.817","0.007","1327.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N O5 S -","- C31 H29 N O5 S -","- C62 H58 N2 O10 S2 -","2","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.1381","0.0785","","","0.1865","0.2156","","","","","","1.03","","","","has coordinates","227226","2020-10-21","18:00:00",""
"4035795","14.0165","0.0001","9.9285","0.0001","18.7196","0.0002","90","","90.997","0.001","90","","2604.68","0.04","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N O5 -","- C30 H29 N O5 -","- C120 H116 N4 O20 -","4","1","","Xu, Hui; Liu, Hong-Wei; Chen, Kuan; Wang, Guan-Wu","One-Pot Multicomponent Mechanosynthesis of Polysubstituted trans-2,3-Dihydropyrroles and Pyrroles from Amines, Alkyne Esters, and Chalcones.","The Journal of organic chemistry","2018","83","11","6035","6049","10.1021/acs.joc.8b00665","","","1.54184","CuKα","","0.0533","0.0494","","","0.1419","0.1465","","","","","","1.045","","","","has coordinates","227227","2020-10-21","18:00:00",""
"4035796","5.1273","0.0014","7.9444","0.0019","30.291","0.007","90","","90","","90","","1233.9","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O4 -","- C24 H28 F6 N2 O4 -","- C48 H56 F12 N4 O8 -","2","0.5","","Cui, Bin; Sun, Hui; Xu, Yibo; Li, Lin; Duan, Lili; Li, Yue-Ming","Mn(OAc)<sub>3</sub>-Mediated Hydrotrifluoromethylation of Unactivated Alkenes Using CF<sub>3</sub>SO<sub>2</sub>Na as the Trifluoromethyl Source.","The Journal of organic chemistry","2018","83","11","6015","6024","10.1021/acs.joc.8b00633","","","0.71073","MoKα","","0.0823","0.0778","","","0.2407","0.2446","","","","","","1.028","","","","has coordinates","227228","2020-10-21","18:00:00",""
"4035797","16.2416","0.0005","16.56","0.0006","14.0383","0.0004","90","","91.79","0.002","90","","3773.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C176 H168 N8 O24 -","8","2","","Ramanathan, Mani; Wang, Yu-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Yuan-Chung; Liu, Shiuh-Tzung","Preparation of Ketimines from Aryldiazonium Salts, Arenes, and Nitriles via Intermolecular Arylation of N-Arylnitrilium Ions.","The Journal of organic chemistry","2018","83","11","6133","6141","10.1021/acs.joc.8b01000","","","0.71073","MoKα","","0.0852","0.0477","","","0.1012","0.1228","","","","","","1.003","","","","has coordinates","227229","2020-10-21","18:00:00",""
"4035798","11.228","0.006","16.224","0.008","18.542","0.009","90","","90","","90","","3378","3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 N2 O -","- C39 H32 N2 O -","- C156 H128 N8 O4 -","4","1","","Wang, Jing-Yi; Wu, Ping; Wu, Jia-Le; Mei, Guang-Jian; Shi, Feng","Chemodivergent Tandem Cyclizations of 2-Indolylmethanols with Tryptophols: C-N versus C-C Bond Formation.","The Journal of organic chemistry","2018","83","11","5931","5946","10.1021/acs.joc.8b00414","","","0.71073","MoKα","","0.1074","0.0762","","","0.2088","0.2341","","","","","","0.934","","","","has coordinates","227230","2020-10-21","18:00:00",""
"4035799","23.869","0.003","13.815","0.002","19.332","0.003","90","","103.665","0.002","90","","6194.3","1.5","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H33 Cl N2 O -","- C39.5 H33 Cl N2 O -","- C316 H264 Cl8 N16 O8 -","8","1","","Wang, Jing-Yi; Wu, Ping; Wu, Jia-Le; Mei, Guang-Jian; Shi, Feng","Chemodivergent Tandem Cyclizations of 2-Indolylmethanols with Tryptophols: C-N versus C-C Bond Formation.","The Journal of organic chemistry","2018","83","11","5931","5946","10.1021/acs.joc.8b00414","","","0.71073","MoKα","","0.1219","0.0648","","","0.1705","0.2013","","","","","","1.034","","","","has coordinates","227231","2020-10-21","18:00:00",""
"4035800","5.272","0.003","11.037","0.007","14.722","0.01","90","","90","","90","","856.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Khan, Hina P. A.; Das, Dipendu; Chakraborty, Tushar Kanti","Application of Cp<sub>2</sub>TiCl-Promoted Radical Cyclization: A Unified Strategy for the Syntheses of Iridoid Monoterpenes.","The Journal of organic chemistry","2018","83","11","6086","6092","10.1021/acs.joc.8b00752","","x-ray","0.71073","MoKα","","0.0383","0.0304","","","0.0682","0.0736","","","","","","1.09","","","","has coordinates","227233","2020-10-21","18:00:00",""
"4035801","17.1569","0.001","7.1445","0.0004","12.2275","0.0008","90","","90.144","0.004","90","","1498.81","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N3 O2 -","- C17 H12 Cl N3 O2 -","- C68 H48 Cl4 N12 O8 -","4","1","","Sarkar, Tanumay; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Ruthenium(II)-Catalyzed Positional Selective C-H Oxygenation of N-Aryl-2-pyrimidines.","The Journal of organic chemistry","2018","83","12","6444","6453","10.1021/acs.joc.8b00714","","","0.71073","MoKα","","0.0448","0.0345","","","0.0873","0.0937","","","","","","1.045","","","","has coordinates","227234","2020-10-21","18:00:00",""
"4035802","9.9305","0.0001","12.059","0.0001","18.5891","0.0002","90","","90","","90","","2226.08","0.04","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C80 H108 Br4 N8 O16 -","4","1","","Liu, Kun; Jiang, Hua-Jie; Li, Na; Li, Hui; Wang, Jing; Zhang, Zheng-Zhu; Yu, Jie","Enantioselective Bromocyclization of Tryptamines Induced by Chiral Co(III)-Complex-Templated Brønsted Acids under an Air Atmosphere.","The Journal of organic chemistry","2018","83","12","6815","6823","10.1021/acs.joc.8b01196","","","1.54184","CuKα","","0.0306","0.0297","","","0.0785","0.0793","","","","","","1.043","","","","has coordinates","227235","2020-10-21","18:00:00",""
"4035803","8.7173","0.0004","10.9529","0.0005","25.4242","0.001","90","","94.556","0.004","90","","2419.82","0.18","293","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl N O2 Rh -","- C27 H31 Cl N O2 Rh -","- C108 H124 Cl4 N4 O8 Rh4 -","4","1","","Tian, Miaomiao; Zheng, Guangfan; Fan, Xuesen; Li, Xingwei","Rhodium(III)-Catalyzed Redox-Neutral Synthesis of Isoquinolinium Salts via C-H Activation of Imines.","The Journal of organic chemistry","2018","83","12","6477","6488","10.1021/acs.joc.8b00758","","","0.71073","MoKα","","0.0359","0.031","","","0.0668","0.0689","","","","","","1.084","","","","has coordinates","227236","2020-10-21","18:00:00",""
"4035804","31.492","","9.345","","21.839","","90","","112.88","","90","","5921.39","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 F12 N4 O16 S4 -","- C50 H48 F12 N4 O16 S4 -","- C200 H192 F48 N16 O64 S16 -","4","0.5","","Tian, Miaomiao; Zheng, Guangfan; Fan, Xuesen; Li, Xingwei","Rhodium(III)-Catalyzed Redox-Neutral Synthesis of Isoquinolinium Salts via C-H Activation of Imines.","The Journal of organic chemistry","2018","83","12","6477","6488","10.1021/acs.joc.8b00758","","","0.71073","MoKα","","0.1179","0.0918","","","0.3113","0.3455","","","","","","1.367","","","","has coordinates","227237","2020-10-21","18:00:00",""
"4035805","7.5477","0.0004","8.0801","0.0004","11.7891","0.0006","94.924","0.003","106.559","0.003","96.266","0.003","679.86","0.06","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 B F6 N2 -","- C15 H9 B F6 N2 -","- C30 H18 B2 F12 N4 -","2","1","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","0.71073","MoKα","","0.0713","0.0471","","","0.1201","0.1342","","","","","","1.034","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035806","22.7561","0.0011","9.3087","0.0004","20.1701","0.0009","90","","100.347","0.004","90","","4203.1","0.3","110","0.5","110","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 B2 F12 N6 -","- C42 H26 B2 F12 N6 -","- C168 H104 B8 F48 N24 -","4","0.5","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","0.71073","MoKα","","0.0611","0.0424","","","0.0969","0.1032","","","","","","1.048","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035807","32.7756","0.0017","33.3988","0.0018","16.7223","0.0009","90","","120.683","0.003","90","","15742.7","1.5","105","0.5","105","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H15 B F12 N2 -","- C29 H15 B F12 N2 -","- C696 H360 B24 F288 N48 -","24","3","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1806","0.1518","","","0.3601","0.3944","","","","","","1.555","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035808","14.0984","0.0013","7.4733","0.0004","30.328","0.003","90","","102.619","0.007","90","","3118.2","0.5","110","0.5","110","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 B F6 N2 S2 -","- C29 H21 B F6 N2 S2 -","- C116 H84 B4 F24 N8 S8 -","4","1","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1728","0.1141","","","0.2761","0.3126","","","","","","0.939","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035809","12.6276","0.0005","14.8535","0.0007","16.4118","0.0008","112.252","0.003","94.497","0.003","95.789","0.003","2811.7","0.2","105","0.5","105","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B F6 N2 S2 -","- C29 H21 B F6 N2 S2 -","- C116 H84 B4 F24 N8 S8 -","4","2","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1032","0.0739","","","0.2006","0.2196","","","","","","0.998","","","","has coordinates,has disorder","227238","2020-10-21","18:00:00",""
"4035810","11.966","0.004","13.517","0.005","19.836","0.005","95.32","0.03","104.25","0.03","106.6","0.03","2933.8","1.8","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H52 Br N8 Na O2 -","- C40 H48 Br0.999 N8 Na O1.91633 -","- C120 H144 Br2.997 N24 Na3 O5.749 -","3","3","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1837","0.095","","","0.2062","0.2642","","","","","","1.002","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035811","12.092","0.004","27.403","0.008","23.358","0.009","90","","93.3","0.03","90","","7727","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.7 H52.6 Br K N8 O1.6 -","- C40.6765 H50.706 Br0.99975 K N8 O1.55625 -","- C325.412 H405.648 Br7.998 K8 N64 O12.45 -","8","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1385","0.0775","","","0.1372","0.1589","","","","","","1.001","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035812","21.201","0.004","26.732","0.006","26.969","0.005","90","","90","","90","","15285","5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.8 H52.6 Br K N8 O1.5 -","- C40.8125 H51.25 Br K N8 O1.49625 -","- C653 H820 Br16 K16 N128 O23.94 -","16","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1395","0.0791","","","0.1939","0.2211","","","","","","1.023","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035813","11.232","0.002","12.217","0.002","33.308","0.008","90","","90","","90","","4570.6","1.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52.8 Cl4 N8 O16.4 -","- C40 H52.822 Cl4 N8 O16.411 -","- C160 H211.288 Cl16 N32 O65.644 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1199","0.0746","","","0.1461","0.1668","","","","","","1.02","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035814","12.559","0.003","12.559","0.003","56.211","0.009","90","","90","","90","","8866","3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H61 Cl4 N7 O7 -","- C33 H47 Cl4 N7 O7 -","- C264 H376 Cl32 N56 O56 -","8","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","1.5418","CuKα","","0.1052","0.1027","","","0.2799","0.2819","","","","","","1.08","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035815","16.703","0.003","18.692","0.004","18.76","0.004","90","","90","","90","","5857","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H80 N8 O8 S2 -","- C62 H80 N8 O8 S2 -","- C248 H320 N32 O32 S8 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.0909","0.0605","","","0.1326","0.1417","","","","","","0.941","","","","has coordinates","227239","2020-10-21","18:00:00",""
"4035816","10.417","0.009","10.557","0.009","14.063","0.012","91.01","0.005","106.752","0.018","104.575","0.017","1426","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 N O2 P -","- C37 H30 N O2 P -","- C74 H60 N2 O4 P2 -","2","1","","Nagahora, Noriyoshi; Goto, Shoko; Inatomi, Takahiro; Tokumaru, Hiroshi; Matsubara, Kouki; Shioji, Kosei; Okuma, Kentaro","Buchwald-Hartwig Amination of Phosphinines and the Effect of Amine Substituents on Optoelectronic Properties of the Resulting Coupling Products.","The Journal of organic chemistry","2018","83","12","6373","6381","10.1021/acs.joc.8b00592","","","0.71075","MoKα","","0.1178","0.0822","","","0.219","0.2517","","","","","","1.003","","","","has coordinates","227240","2020-10-21","18:00:00",""
"4035817","22.2044","0.0012","8.5077","0.0007","7.4456","0.0006","90","","90","","90","","1406.54","0.18","298","0.1","298","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Shi, Xiaonan; Chen, Xi; Wang, Muhua; Zhang, Xinying; Fan, Xuesen","Regioselective Synthesis of Acylated N-Heterocycles via the Cascade Reactions of Saturated Cyclic Amines with 2-Oxo-2-arylacetic Acids.","The Journal of organic chemistry","2018","83","12","6524","6533","10.1021/acs.joc.8b00805","","x-ray","0.71073","MoKα","","0.0462","0.0434","","","0.0984","0.0999","","","","","","1.111","","","","has coordinates","227241","2020-10-21","18:00:00",""
"4035818","11.1647","0.0007","11.6691","0.0007","16.6362","0.0011","90","","90","","90","","2167.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 N2 O4 -","- C19 H34 N2 O4 -","- C76 H136 N8 O16 -","4","1","","Almond-Thynne, Joshua; Han, Jiaxu; White, Andrew J. P.; Polyzos, Anastasios; Parsons, Philip J.; Barrett, Anthony G. M.","Bidirectional Synthesis of Di- tert-butyl (2 S,6 S,8 S)- and (2 R,6 R,8 R)-1,7-Diazaspiro[5.5]undecane-2,8-dicarboxylate and Related Spirodiamines.","The Journal of organic chemistry","2018","83","12","6783","6787","10.1021/acs.joc.8b00794","","","1.54184","CuKα","","0.1112","0.0681","","","0.161","0.1985","","","","","","0.978","","","","has coordinates,has disorder","227242","2020-10-21","18:00:00",""
"4035819","7.4452","0.0007","9.2054","0.0009","26.702","0.003","90","","90","","90","","1830","0.3","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Menger, Martina; Lentz, Dieter; Christmann, Mathias","Synthesis of (+)-Vitepyrroloid A and (+)-Vitepyrroloid B by Late-Stage Ni-Catalyzed C(sp2)-C(sp3) Cross-Electrophile Coupling.","The Journal of organic chemistry","2018","83","12","6793","6797","10.1021/acs.joc.8b00882","","","1.54178","CuKα","","0.0276","0.0276","","","0.0704","0.0704","","","","","","1.092","","","","has coordinates","227243","2020-10-21","18:00:00",""
"4035820","15.4095","0.001","90.764","0.006","4.2446","0.0003","90","","90","","90","","5936.6","0.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","iodo chlorophenyl phenylselenophene","3-iodo-4-(4-chlorophenyl)-2-phenylselenophene","","- C16 H10 Cl I Se -","- C16 H10 Cl I Se -","- C256 H160 Cl16 I16 Se16 -","16","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","1.54178","CuKα","","0.0336","0.0335","","","0.0958","0.0959","","","","","","1.088","","","","has coordinates","227244","2020-10-21","18:00:00",""
"4035821","5.7033","0.0002","22.7969","0.0009","23.3729","0.0009","90","","90.033","0.002","90","","3038.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bromo naphthalen tetrahydrobenzo selenophene","3-bromo-2-(naphthalen-2-yl)-4,5,6,7-tetrahydrobenzo[b]selenophene","","- C18 H15 Br Se -","- C18 H15 Br Se -","- C144 H120 Br8 Se8 -","8","2","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","1.54178","CuKα","","0.0401","0.0364","","","0.1023","0.1057","","","","","","1.098","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4035822","9.4395","0.0004","8.61","0.0004","16.0486","0.0006","90","","98.143","0.001","90","","1291.18","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","iodo phenyl tetrahydrobenzo selephene","3-iodo-2-phenyl-4,5,6,7-tetrahydrobenzo[b]selephene","","- C14 H13 I Se -","- C14 H13 I Se -","- C56 H52 I4 Se4 -","4","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.56086","AgKα","","0.0224","0.019","","","0.0408","0.0477","","","","","","1.212","","","","has coordinates","227246","2020-10-21","18:00:00",""
"4035823","17.7202","0.0019","5.9497","0.0007","13.9707","0.0015","90","","95.958","0.003","90","","1465","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iodo methylphenyl phenylselenophene","3-iodo-4-(4-methylphenyl)-2-phenylselenophene","","- C17 H13 I Se -","- C17 H13 I Se -","- C68 H52 I4 Se4 -","4","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.71073","MoKα","","0.0312","0.0284","","","0.0761","0.0786","","","","","","1.06","","","","has coordinates","227247","2020-10-21","18:00:00",""
"4035824","40.01","0.0002","5.3146","0.0003","15.5045","0.0009","90","","91.234","0.002","90","","3296.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","phenyl phenylethynyl tetrahydrobenzo selenophene","2-phenyl-3-(phenylethynyl)-4,5,6,7-tetrahydrobenzo[b]selenophene","","- C22 H18 Se -","- C22 H18 Se -","- C176 H144 Se8 -","8","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.71073","MoKα","","0.0437","0.0349","","","0.0817","0.0844","","","","","","1.052","","","","has coordinates","227248","2020-10-21","18:00:00",""
"4035825","16.6619","0.0006","10.7864","0.0003","11.6368","0.0003","90","","101.846","0.003","90","","2046.85","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","Alamillo-Ferrer, Carla; Curle, Jonathan M.; Davidson, Stuart C.; Lucas, Simon C. C.; Atkinson, Stephen J.; Campbell, Matthew; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines and Isoxazolidines.","The Journal of organic chemistry","2018","83","12","6728","6740","10.1021/acs.joc.8b00392","","","1.5418","CuKα","","0.0534","0.0456","","","0.1218","0.1296","","","","","","1.037","","","","has coordinates","227249","2020-10-21","18:00:00",""
"4035826","14.2564","0.001","7.5171","0.0005","21.4885","0.0016","90","","92.211","0.007","90","","2301.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O8 S -","- C24 H27 N O8 S -","- C96 H108 N4 O32 S4 -","4","1","","Alamillo-Ferrer, Carla; Curle, Jonathan M.; Davidson, Stuart C.; Lucas, Simon C. C.; Atkinson, Stephen J.; Campbell, Matthew; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines and Isoxazolidines.","The Journal of organic chemistry","2018","83","12","6728","6740","10.1021/acs.joc.8b00392","","","0.71073","MoKα","","0.0691","0.0541","","","0.1081","0.1166","","","","","","1.111","","","","has coordinates","227249","2020-10-21","18:00:00",""
"4035827","8.15","0.002","15.852","0.004","10.041","0.003","90","","99.101","0.004","90","","1280.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Wei, Lin-Su; He, Guo-Xue; Kong, Xiang-Fei; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","Gold(III)-Catalyzed Selective Cyclization of Alkynyl Quinazolinone-Tethered Pyrroles: Synthesis of Fused Quinazolinone Scaffolds.","The Journal of organic chemistry","2018","83","12","6719","6727","10.1021/acs.joc.8b00168","","","0.71073","MoKα","","0.0517","0.0429","","","0.1227","0.1334","","","","","","1.051","","","","has coordinates","227250","2020-10-21","18:00:00",""
"4035828","14.4722","0.0013","7.4682","0.0007","19.5138","0.0014","90","","113.454","0.005","90","","1934.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F O4 -","- C22 H29 F O4 -","- C88 H116 F4 O16 -","4","1","","Schiavo, Lucie; Lebedel, Ludivine; Massé, Paul; Choppin, Sabine; Hanquet, Gilles","Access to Wieland-Miescher Diketone-Derived Building Blocks by Stereoselective Construction of the C-9 Quaternary Carbon Center Using the Mukaiyama Aldol Reaction.","The Journal of organic chemistry","2018","83","12","6247","6258","10.1021/acs.joc.7b02862","","","0.71073","MoKα","","0.1412","0.0654","","","0.1637","0.1935","","","","","","1.04","","","","has coordinates,has disorder","227251","2020-10-21","18:00:00",""
"4035829","7.8995","0.0003","8.2826","0.0003","29.6905","0.0012","90","","90","","90","","1942.6","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Schiavo, Lucie; Lebedel, Ludivine; Massé, Paul; Choppin, Sabine; Hanquet, Gilles","Access to Wieland-Miescher Diketone-Derived Building Blocks by Stereoselective Construction of the C-9 Quaternary Carbon Center Using the Mukaiyama Aldol Reaction.","The Journal of organic chemistry","2018","83","12","6247","6258","10.1021/acs.joc.7b02862","","","0.71073","MoKα","","0.0522","0.0396","","","0.0887","0.0945","","","","","","1.024","","","","has coordinates","227252","2020-10-21","18:00:00",""
"4035830","8.0167","0.0016","8.298","0.0018","9.931","0.002","76.343","0.012","74.733","0.012","85.06","0.013","619.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","","Mancuso, Raffaella; Pomelli, Christian S.; Chiappetta, Piera; Gioia, Katia F.; Maner, Asif; Marino, Nadia; Veltri, Lucia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent Syntheses of ( Z)-3-Alkylideneisobenzofuran-1(3 H)-ones and 1 H-Isochromen-1-ones by Copper-Catalyzed Cycloisomerization of 2-Alkynylbenzoic Acids in Ionic Liquids.","The Journal of organic chemistry","2018","83","12","6673","6680","10.1021/acs.joc.8b00923","","","0.71073","MoKα","","0.0897","0.0645","","","0.1859","0.2072","","","","","","1.027","","","","has coordinates","227253","2020-10-21","18:00:00",""
"4035831","13.1964","0.001","17.5953","0.0012","14.6919","0.001","90","","96.304","0.003","90","","3390.8","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C180 H120 O24 -","12","3","","Mancuso, Raffaella; Pomelli, Christian S.; Chiappetta, Piera; Gioia, Katia F.; Maner, Asif; Marino, Nadia; Veltri, Lucia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent Syntheses of ( Z)-3-Alkylideneisobenzofuran-1(3 H)-ones and 1 H-Isochromen-1-ones by Copper-Catalyzed Cycloisomerization of 2-Alkynylbenzoic Acids in Ionic Liquids.","The Journal of organic chemistry","2018","83","12","6673","6680","10.1021/acs.joc.8b00923","","","0.71073","MoKα","","0.042","0.032","","","0.0891","0.1067","","","","","","1.11","","","","has coordinates","227254","2020-10-21","18:00:00",""
"4035832","9.4156","0.0007","16.2735","0.0013","10.0456","0.0008","90","","100.074","0.002","90","","1515.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin","Stereocontrolled Synthesis of 3-Sulfonyl Chroman-4-ols.","The Journal of organic chemistry","2018","83","12","6798","6804","10.1021/acs.joc.8b01043","","","0.71073","MoKα","","0.0411","0.0348","","","0.0817","0.0852","","","","","","1.03","","","","has coordinates","227255","2020-10-21","18:00:00",""
"4035833","15.4645","0.0014","18.338","0.0016","5.4053","0.0004","90","","93.229","0.003","90","","1530.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin","Stereocontrolled Synthesis of 3-Sulfonyl Chroman-4-ols.","The Journal of organic chemistry","2018","83","12","6798","6804","10.1021/acs.joc.8b01043","","","0.71073","MoKα","","0.0716","0.0632","","","0.1514","0.1573","","","","","","1.136","","","","has coordinates","227255","2020-10-21","18:00:00",""
"4035834","11.2544","0.0015","17.5322","0.0014","7.5684","0.001","90","","108.024","0.013","90","","1420.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F2 N3 O3 -","- C15 H13 F2 N3 O3 -","- C60 H52 F8 N12 O12 -","4","1","","Han, Wen-Yong; Wang, Jian-Shu; Zhao, Jia; Long, Lin; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","A Protocol for the Synthesis of CF<sub>2</sub>H-Containing Pyrazolo[1,5- c]quinazolines from 3-Ylideneoxindoles and in Situ Generated CF<sub>2</sub>HCHN<sub>2</sub>.","The Journal of organic chemistry","2018","83","12","6556","6565","10.1021/acs.joc.8b00866","","","0.71073","MoKα","","0.1231","0.0564","","","0.1247","0.1563","","","","","","1.005","","","","has coordinates","227256","2020-10-21","18:00:00",""
"4035835","9.1373","0.0005","22.4412","0.001","17.6747","0.001","90","","103.855","0.006","90","","3518.8","0.3","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N2 O -","- C20 H14 Cl2 N2 O -","- C160 H112 Cl16 N16 O8 -","8","2","","Li, Zhen-Hua; Jiang, Zhi-Jiang; Shao, Qiao-Ling; Qin, Jin-Jing; Shu, Qiang-Feng; Lu, Wen-Hao; Su, Wei-Ke","One-Pot Cascade Heterocyclization of γ- and β-Ketomalononitriles to 2,4-Dichloro-Substituted Pyrano[2,3- d]pyrimidines and Furo[2,3- d]pyrimidines Mediated by Triphosgene and Triphenylphosphine Oxide.","The Journal of organic chemistry","2018","83","12","6423","6431","10.1021/acs.joc.8b00669","","","0.71073","MoKα","","0.0888","0.0499","","","0.0982","0.1159","","","","","","1.068","","","","has coordinates","227257","2020-10-21","18:00:00",""
"4035836","13.7079","0.0006","5.7149","0.0002","21.2609","0.0009","90","","102.121","0.003","90","","1628.43","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Verma, Shalini; Mishra, Pawan K.; Kumar, Manoj; Sur, Souvik; Verma, Akhilesh K.","Transition-Metal-Free Access to Pyridocarbazoles from 2-Alkynylindole-3-carbaldehydes via Azomethine Ylide.","The Journal of organic chemistry","2018","83","12","6650","6663","10.1021/acs.joc.8b00980","","","0.71073","MoKα","","0.0611","0.0479","","","0.1298","0.1388","","","","","","1.067","","","","has coordinates","227258","2020-10-21","18:00:00",""
"4035837","13.187","0.005","5.857","0.002","20.28","0.009","90","","96.89","0.03","90","","1555","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.1514","0.0847","","","0.2281","0.2535","","","","","","1.053","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035838","13.6044","0.0011","5.8328","0.0005","19.6597","0.0015","90","","99.815","0.004","90","","1537.2","0.2","298","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.0906","0.0435","","","0.1019","0.115","","","","","","1.02","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035839","32.547","0.002","4.2555","0.0002","30.366","0.0019","90","","114.419","0.007","90","","3829.6","0.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 F3 N O4 -","- C22 H14 F3 N O4 -","- C176 H112 F24 N8 O32 -","8","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.1771","0.0775","","","0.1544","0.19","","","","","","1.074","","","","has coordinates,has disorder","227259","2020-10-21","18:00:00",""
"4035840","7.1559","0.0003","9.9916","0.0006","13.054","0.0004","95.328","0.004","91.807","0.003","102.699","0.004","905.28","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","svk_591","","- C22 H14 F3 N O4 -","- C22 H14 F3 N O4 -","- C44 H28 F6 N2 O8 -","2","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","x-ray","0.71073","MoKα","","0.0582","0.049","","","0.1165","0.1241","","","","","","1.06","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035841","29.204","0.003","5.9824","0.0006","18.1623","0.0017","90","","120.993","0.014","90","","2720.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl N O4 S -","- C13 H12 Cl N O4 S -","- C104 H96 Cl8 N8 O32 S8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1087","0.0566","","","0.1378","0.1657","","","","","","0.917","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035842","13.4599","0.0013","5.9693","0.0004","8.7884","0.001","90","","101.719","0.009","90","","691.4","0.12","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H14 F N O4 -","- C15 H14 F N O4 -","- C30 H28 F2 N2 O8 -","2","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.107","0.0484","","","0.0936","0.1149","","","","","","0.84","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035843","17.576","0.005","6.016","0.003","15.422","0.005","90","","103.26","0.03","90","","1587.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.3019","0.0972","","","0.1902","0.2669","","","","","","0.792","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035844","12.0094","0.0017","9.0315","0.0011","59.748","0.006","90","","90","","90","","6480.4","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C288 H304 N16 O64 -","16","2","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.2183","0.09","","","0.2084","0.2593","","","","","","1.014","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035845","12.141","0.003","12.9427","0.0019","8.5151","0.0019","90","","109.14","0.03","90","","1264.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1991","0.0566","","","0.1002","0.1338","","","","","","0.798","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035846","10.874","0.002","8.3249","0.0015","19.94","0.004","90","","90","","90","","1805.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N -","- C11 H13 N -","- C88 H104 N8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1278","0.0468","","","0.0828","0.098","","","","","","0.888","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035847","6.2978","0.0007","8.5419","0.0009","13.3191","0.0012","87.397","0.008","77.332","0.008","76.803","0.009","680.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C30 H38 N2 O4 S2 -","2","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.0571","0.0426","","","0.1057","0.1146","","","","","","0.998","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035848","6.3634","0.0016","17.543","0.007","12.5068","0.0018","90","","104.343","0.019","90","","1352.7","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1353","0.0568","","","0.1046","0.1394","","","","","","0.887","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035849","12.23985","0.00013","21.8131","0.0002","14.46867","0.00014","90","","99.1751","0.001","90","","3813.55","0.07","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 -","- C58 H40 -","- C232 H160 -","4","1","","Melidonie, Jason; Liu, Junzhi; Fu, Yubin; Weigand, Jan J.; Berger, Reinhard; Feng, Xinliang","Pyrene-Fused s-Indacene.","The Journal of organic chemistry","2018","83","12","6633","6639","10.1021/acs.joc.8b00925","","x-ray","1.54184","CuKα","","0.0556","0.0506","","","0.1432","0.1492","","","","","","1.037","","","","has coordinates","227261","2020-10-21","18:00:00",""
"4035850","13.5895","0.0004","11.2987","0.0003","16.7039","0.0005","90","","90.669","0.003","90","","2564.6","0.13","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C70.08 H65.5 -","- C70.074 H65.506 -","- C140.148 H131.012 -","2","0.5","","Melidonie, Jason; Liu, Junzhi; Fu, Yubin; Weigand, Jan J.; Berger, Reinhard; Feng, Xinliang","Pyrene-Fused s-Indacene.","The Journal of organic chemistry","2018","83","12","6633","6639","10.1021/acs.joc.8b00925","","x-ray","1.54184","CuKα","","0.0742","0.0646","","","0.1893","0.2038","","","","","","1.045","","","","has coordinates,has disorder","227262","2020-10-21","18:00:00",""
"4035851","16.313","0.0007","11.6843","0.0005","9.3275","0.0004","90","","122.965","0.003","90","","1491.64","0.12","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H13 Br N2 O3 -","- C16 H13 Br N2 O3 -","- C64 H52 Br4 N8 O12 -","4","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0708","0.0464","","","0.104","0.1246","","","","","","0.893","","","","has coordinates","227263","2020-10-21","18:00:00",""
"4035852","8.2991","0.0003","5.68602","0.00017","15.9291","0.0004","90","","103.299","0.003","90","","731.52","0.04","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N2 O3 -","- C16 H12 Br N2 O3 -","- C32 H24 Br2 N4 O6 -","2","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0622","0.0414","","","0.0705","0.0802","","","","","","0.985","","","","has coordinates","227264","2020-10-21","18:00:00",""
"4035853","9.76","0.03","8.667","0.017","27.31","0.05","90.08","0.09","91.13","0.14","89.89","0.09","2310","9","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N O3 S -","- C23 H33 N O3 S -","- C92 H132 N4 O12 S4 -","4","2","","Reddy, Leleti Rajender; Kotturi, Sharadsrikar; Waman, Yogesh; Patel, Chirag; Danidharia, Megha; Shenoy, Rajesh","Asymmetric Synthesis of α-(Diarylmethyl) Alkyl Amines through Regioselective Lithiation of α-Diarylmethanes and the Diastereoselective Addition to Ellman's Imines.","The Journal of organic chemistry","2018","83","12","6573","6579","10.1021/acs.joc.8b00879","","","0.71075","MoKα","","","0.082","","","","0.2058","","","","","","0.951","","","","has coordinates","227265","2020-10-21","18:00:00",""
"4035854","9.896","0.002","12.3718","0.0016","26.501","0.003","90","","90","","90","","3244.6","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41.25 H37.5 N2.5 O5 Si1.25 -","- C39 H36 N2 O4 Si -","- C156 H144 N8 O16 Si4 -","4","1","","Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.","The Journal of organic chemistry","2018","83","12","6599","6606","10.1021/acs.joc.8b00890","","","0.71073","MoKα","","0.1202","0.0765","","","0.1892","0.2297","","","","","","0.887","","","","has coordinates","227266","2020-10-21","18:00:00",""
"4035855","14.513","0.004","13.967","0.004","20.43","0.006","90","","95.626","0.005","90","","4121","2","293","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Cl3 N3 O7 Si -","- C45 H40 Cl3 N3 O7 Si -","- C180 H160 Cl12 N12 O28 Si4 -","4","1","","Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.","The Journal of organic chemistry","2018","83","12","6599","6606","10.1021/acs.joc.8b00890","","x-ray","0.71073","MoKα","","0.1404","0.0982","","","0.2916","0.3349","","","","","","1.02","","","","has coordinates","227267","2020-10-21","18:00:00",""
"4035856","8.71268","0.00006","16.9165","0.00012","9.2721","0.00007","90","","95.227","0.0006","90","","1360.91","0.017","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 F3 N O3 S Si -","- C9 H14 F3 N O3 S Si -","- C36 H56 F12 N4 O12 S4 Si4 -","4","1","","Ohta, Reiya; Matsumoto, Nao; Ueyama, Yoshifumi; Kuboki, Yuichi; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Maegawa, Tomohiro; Fujioka, Hiromichi","Highly Discriminative and Chemoselective Deprotection/Transformations of Acetals with the Combination of Trialkylsilyl Triflate/2,4,6-Collidine.","The Journal of organic chemistry","2018","83","12","6432","6443","10.1021/acs.joc.8b00675","","","1.54184","CuKα","","0.046","0.0446","","","0.1201","0.1211","","","","","","1.03","","","","has coordinates","227268","2020-10-21","18:00:00",""
"4035857","17.105","0.0013","8.9423","0.0006","16.1115","0.0015","90","","95.622","0.007","90","","2452.5","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 F3 N O3 S -","- C9 H12 F3 N O3 S -","- C72 H96 F24 N8 O24 S8 -","8","1","","Ohta, Reiya; Matsumoto, Nao; Ueyama, Yoshifumi; Kuboki, Yuichi; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Maegawa, Tomohiro; Fujioka, Hiromichi","Highly Discriminative and Chemoselective Deprotection/Transformations of Acetals with the Combination of Trialkylsilyl Triflate/2,4,6-Collidine.","The Journal of organic chemistry","2018","83","12","6432","6443","10.1021/acs.joc.8b00675","","","1.54184","CuKα","","0.1708","0.1461","","","0.329","0.35","","","","","","1.407","","","","has coordinates","227269","2020-10-21","18:00:00",""
"4035858","27.7776","0.0014","44.788","0.003","6.8825","0.0004","90","","90","","90","","8562.5","0.9","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H44 I2 N16 Na2 O10 -","- C28 H44 I2 N16 Na2 O10 -","- C224 H352 I16 N128 Na16 O80 -","8","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0575","0.037","","","0.0556","0.0611","","","","","","1.001","","","","has coordinates","227270","2020-10-21","18:00:00",""
"4035859","3.858","0.011","6.027","0.013","29.82","0.07","90","","93.35","0.09","90","","692","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0829","0.059","","","0.1136","0.1211","","","","","","1.117","","","","has coordinates","227271","2020-10-21","18:00:00",""
"4035860","3.9913","0.0002","6.7117","0.0003","13.3807","0.0007","90","","97.162","0.003","90","","355.65","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C12 H10 Cl2 N8 -","2","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","1.54178","CuKα","","0.085","0.0787","","","0.2115","0.2229","","","","","","1.119","","","","has coordinates,has disorder","227272","2020-10-21","18:00:00",""
"4035861","16.1345","0.0009","17.9552","0.0008","13.8025","0.0007","90","","90","","90","","3998.6","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 I3 N16 Na3 O6 -","- C28 H36 I3 N16 Na3 O6 -","- C112 H144 I12 N64 Na12 O24 -","4","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0288","0.0226","","","0.0513","0.0547","","","","","","1.035","","","","has coordinates","227273","2020-10-21","18:00:00",""
"4035862","8.176","0.003","12.399","0.004","7.156","0.002","90","","95.259","0.009","90","","722.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","","1.54178","CuKα","","0.0657","0.0545","","","0.1417","0.164","","","","","","1.126","","","","has coordinates","227274","2020-10-21","18:00:00",""
"4035863","7.008","0.008","13.971","0.015","7.564","0.009","90","","108.474","0.019","90","","702.4","1.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0587","0.0465","","","0.0982","0.1035","","","","","","1.159","","","","has coordinates,has disorder","227275","2020-10-21","18:00:00",""
"4035864","9.381","0.007","12.286","0.008","6.591","0.005","90","","93.71","0.03","90","","758.1","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N4 O -","- C7 H8 N4 O -","- C28 H32 N16 O4 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.1309","0.0561","","","0.0972","0.1159","","","","","","0.919","","","","has coordinates","227276","2020-10-21","18:00:00",""
"4035865","3.816","0.01","13.38","0.03","14.05","0.03","90","","96.91","0.04","90","","712","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0362","0.0289","","","0.0653","0.0683","","","","","","1.059","","","","has coordinates","227277","2020-10-21","18:00:00",""
"4035866","8.095","0.013","13.644","0.014","7.107","0.008","90","","114.09","0.04","90","","716.6","1.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","","1.54184","CuKα","","0.0335","0.0314","","","0.0734","0.0743","","","","","","1.071","","","","has coordinates","227278","2020-10-21","18:00:00",""
"4035867","3.8226","0.0005","7.1075","0.0012","27.806","0.004","90","","90","","90","","755.46","0.19","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 N4 O -","- C7 H8 N4 O -","- C28 H32 N16 O4 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.043","0.0403","","","0.1067","0.1089","","","","","","1.074","","","","has coordinates","227279","2020-10-21","18:00:00",""
"4035868","18.322","0.012","5.73","0.004","19.274","0.013","90","","108.83","0.017","90","","1915","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","","Dumonteil, Geoffrey; Bhattacharjee, Nicholus; Angelici, Gaetano; Roy, Olivier; Faure, Sophie; Jouffret, Laurent; Jolibois, Franck; Perrin, Lionel; Taillefumier, Claude","Exploring the Conformation of Mixed Cis- Trans α,β-Oligopeptoids: A Joint Experimental and Computational Study.","The Journal of organic chemistry","2018","83","12","6382","6396","10.1021/acs.joc.8b00606","","","0.71073","MoKα","","0.181","0.0978","","","0.2205","0.2674","","","","","","1.011","","","","has coordinates","227280","2020-10-21","18:00:00",""
"4035869","21.4018","0.0011","9.5715","0.0004","19.6398","0.001","90","","110.448","0.006","90","","3769.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","D3-trishomocubane","rearranged cage ketone","","- C28 H26 O -","- C28 H26 O -","- C224 H208 O8 -","8","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","Molecular Acrobatics in Polycyclic Frames: Synthesis of Functionalized D<sub>3</sub>-Trishomocubanes via the Rearrangement Approach.","The Journal of organic chemistry","2018","83","12","6315","6324","10.1021/acs.joc.8b00449","","x-ray","0.71073","MoKα","","0.043","0.039","","","0.0931","0.0966","","","","","","1.043","","","","has coordinates","227281","2020-10-21","18:00:00",""
"4035870","7.3329","0.0005","11.999","0.0008","13.2043","0.0009","90","","97.019","0.006","90","","1153.11","0.14","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","Molecular Acrobatics in Polycyclic Frames: Synthesis of Functionalized D<sub>3</sub>-Trishomocubanes via the Rearrangement Approach.","The Journal of organic chemistry","2018","83","12","6315","6324","10.1021/acs.joc.8b00449","","x-ray","0.71073","MoKα","","0.0643","0.0459","","","0.1016","0.1104","","","","","","1.057","","","","has coordinates","227282","2020-10-21","18:00:00",""
"4035871","16.8592","0.0013","9.1588","0.0007","14.7664","0.0012","90","","107.041","0.001","90","","2180","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B2 Br5 F4 N5 -","- C14 H12 B2 Br5 F4 N5 -","- C56 H48 B8 Br20 F16 N20 -","4","1","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.061","0.04","","","0.0979","0.1084","","","","","","1.0245","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035872","6.275","0.005","10.748","0.008","11.424","0.009","79.967","0.009","85.892","0.009","85.819","0.01","755.3","1","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 B2 Br5 F4 N8 -","- C20 H24 B2 Br5 F4 N8 -","- C20 H24 B2 Br5 F4 N8 -","1","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0757","0.0454","","","0.1001","0.1138","","","","","","1.0194","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035873","17.745","0.003","8.6108","0.0016","19.469","0.004","90","","110.002","0.002","90","","2795.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 B2 Br2 F4 N6 -","- C24 H27 B2 Br2 F4 N6 -","- C96 H108 B8 Br8 F16 N24 -","4","1","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0835","0.0541","","","0.1417","0.1608","","","","","","1.0419","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035874","7.097","0.002","8.061","0.003","24.763","0.008","90","","94.572","0.004","90","","1412.2","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 F4 N6 -","- C26 H26 B2 F4 N6 -","- C52 H52 B4 F8 N12 -","2","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","","0.71073","MoKα","","0.1228","0.0776","","","0.1993","0.2277","","","","","","1.025","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035875","7.0907","0.001","16.573","0.002","8.3518","0.0012","90","","111.312","0.002","90","","914.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B2 F4 N4 S2 -","- C18 H12 B2 F4 N4 S2 -","- C36 H24 B4 F8 N8 S4 -","2","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0601","0.0528","","","0.1308","0.1345","","","","","","1.112","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035876","10.4612","0.0005","11.1373","0.0004","13.829","0.0005","96.925","0.003","112.16","0.004","98.871","0.003","1445.95","0.11","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N9 O3 S2 -","- C31 H21 N9 O3 S2 -","- C62 H42 N18 O6 S4 -","2","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0739","0.0499","","","0.1055","0.1175","","","","","","1.026","","","","has coordinates","227284","2020-10-21","18:00:00",""
"4035877","7.975","0.003","22.255","0.007","20.676","0.007","90","","98.222","0.006","90","","3632","2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 N9 O8 S2 -","- C34 H31 N9 O8 S2 -","- C136 H124 N36 O32 S8 -","4","2","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1196","0.097","","","0.2257","0.2462","","","","","","1.08","","","","has coordinates,has disorder","227285","2020-10-21","18:00:00",""
"4035878","23.9941","0.00019","11.7595","0.00008","24.6196","0.00016","90","","90","","90","","6946.63","0.09","173.2","0.3","173.2","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H25 N11 O7 S -","- C34 H25 N11 O7 S -","- C272 H200 N88 O56 S8 -","8","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","x-ray","1.54184","CuKα","","0.0638","0.0445","","","0.1125","0.1246","","","","","","1.022","","","","has coordinates","227286","2020-10-21","18:00:00",""
"4035879","5.7871","0.0002","13.5493","0.0006","16.8357","0.0006","90","","90","","90","","1320.11","0.09","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br F3 N O3 -","- C11 H11 Br F3 N O3 -","- C44 H44 Br4 F12 N4 O12 -","4","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0829","0.0432","","","0.0916","0.1144","","","","","","0.896","","","","has coordinates","227287","2020-10-21","18:00:00",""
"4035880","8.7236","0.0005","11.9043","0.0004","8.7256","0.0004","90","","118.539","0.007","90","","796.04","0.08","200","1","200","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 Br F3 N O3 -","- C15 H15 Br F3 N O3 -","- C30 H30 Br2 F6 N2 O6 -","2","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0395","0.0336","","","0.0766","0.0835","","","","","","0.813","","","","has coordinates","227288","2020-10-21","18:00:00",""
"4035881","6.3688","0.0001","12.2935","0.0002","21.2458","0.0004","90","","90","","90","","1663.44","0.05","170","2","169.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.046","0.0423","","","0.1025","0.1062","","","","","","1.095","","","","has coordinates","227289","2020-10-21","18:00:00",""
"4035882","13.2915","0.0003","7.2927","0.0002","17.9828","0.0005","90","","106.01","0.001","90","","1675.48","0.08","170","2","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.0334","0.0315","","","0.0778","0.0794","","","","","","1.051","","","","has coordinates","227290","2020-10-21","18:00:00",""
"4035883","16.8548","0.0008","12.1664","0.0006","5.1458","0.0002","90","","90","","90","","1055.21","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0361","0.0339","","","0.0856","0.0871","","","","","","1.119","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035884","8.0534","0.0004","19.6802","0.001","7.3808","0.0004","90","","98.57","0.003","90","","1156.74","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br N O2 -","- C14 H8 Br N O2 -","- C56 H32 Br4 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0335","0.028","","","0.0667","0.0696","","","","","","1.092","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035885","20.0319","0.0011","5.2142","0.0003","12.3896","0.0007","90","","92.388","0.003","90","","1292.97","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0547","0.0416","","","0.0979","0.1064","","","","","","1.037","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035886","12.5941","0.0015","14.2233","0.0018","7.5547","0.0009","90","","104.868","0.003","90","","1308","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F N O2 -","- C18 H10 F N O2 -","- C72 H40 F4 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0808","0.0627","","","0.1722","0.1893","","","","","","1.055","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035887","24.8334","0.0013","5.7013","0.0003","7.5769","0.0004","90","","90","","90","","1072.76","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H7 F2 N O2 -","- C14 H7 F2 N O2 -","- C56 H28 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0322","0.0277","","","0.0632","0.0657","","","","","","1.029","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035888","7.4945","0.0009","29.594","0.004","5.8859","0.0007","90","","90","","90","","1305.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H9 F2 N O2 -","- C18 H9 F2 N O2 -","- C72 H36 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.035","0.0328","","","0.0861","0.0872","","","","","","1.129","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035889","15.8917","0.0006","12.4954","0.0004","10.8866","0.0003","90","","90","","90","","2161.79","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Br N O4 S -","- C25 H18 Br N O4 S -","- C100 H72 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0235","0.0211","","","0.052","0.0526","","","","","","1.078","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035890","18.3082","0.0012","7.4274","0.0004","15.82","0.0011","90","","105.707","0.002","90","","2070.9","0.2","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 F N2 O2 -","- C28 H17 F N2 O2 -","- C112 H68 F4 N8 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0633","0.0436","","","0.1143","0.1324","","","","","","1.078","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035891","22.6011","0.0014","22.6011","0.0014","16.3728","0.0012","90","","90","","90","","8363.4","1","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C448 H384 N32 -","16","1","","Mallick, Sudesh; Maddala, Sudhakar; Kollimalayan, Kalidass; Venkatakrishnan, Parthasarathy","Oxidative Coupling of Carbazoles: A Substituent-Governed Regioselectivity Profile.","The Journal of organic chemistry","2019","84","1","73","93","10.1021/acs.joc.8b02322","","","0.71073","MoKα","","0.0645","0.0489","","","0.124","0.1357","","","","","","1.03","","","","has coordinates","227292","2020-10-21","18:00:00",""
"4035892","7.5531","0.0003","14.3982","0.0006","13.9311","0.0006","90","","90.1024","0.0019","90","","1515.02","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N -","- C18 H19 Br N -","- C72 H76 Br4 N4 -","4","1","","Mallick, Sudesh; Maddala, Sudhakar; Kollimalayan, Kalidass; Venkatakrishnan, Parthasarathy","Oxidative Coupling of Carbazoles: A Substituent-Governed Regioselectivity Profile.","The Journal of organic chemistry","2019","84","1","73","93","10.1021/acs.joc.8b02322","","","0.71073","MoKα","","0.0469","0.0319","","","0.0791","0.0859","","","","","","1.045","","","","has coordinates","227293","2020-10-21","18:00:00",""
"4035893","15.4188","0.0003","5.0091","0.0001","20.2178","0.0003","90","","99.157","0.002","90","","1541.61","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 I2 N O S -","- C14 H11 I2 N O S -","- C56 H44 I8 N4 O4 S4 -","4","1","","Ma, Yan-Na; Bian, Yajing; Liu, Xin; Zhang, Jie; Chen, Xuenian","One-Pot Synthesis of Iodo-Dibenzothiazines from 2-Biaryl Sulfides.","The Journal of organic chemistry","2019","84","1","450","457","10.1021/acs.joc.8b02729","","x-ray","1.54184","CuKα","","0.0765","0.0598","","","0.1587","0.1688","","","","","","1.054","","","","has coordinates","227294","2020-10-21","18:00:00",""
"4035894","5.0756","0.0001","16.2147","0.0003","15.4288","0.0002","90","","96.518","0.002","90","","1261.57","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 I N O S -","- C13 H10 I N O S -","- C52 H40 I4 N4 O4 S4 -","4","1","","Ma, Yan-Na; Bian, Yajing; Liu, Xin; Zhang, Jie; Chen, Xuenian","One-Pot Synthesis of Iodo-Dibenzothiazines from 2-Biaryl Sulfides.","The Journal of organic chemistry","2019","84","1","450","457","10.1021/acs.joc.8b02729","","x-ray","1.54184","CuKα","","0.0455","0.0422","","","0.1214","0.1252","","","","","","1.077","","","","has coordinates","227295","2020-10-21","18:00:00",""
"4035895","11.0122","0.0002","12.6075","0.0002","20.4557","0.0003","75.1","0.001","81.569","0.001","64.963","0.001","2484.3","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O8 -","- C30 H26 O8 -","- C120 H104 O32 -","4","2","","Dam, Jean; Bode, Moira L.; de Koning, Charles B.","Ceric Ammonium Sulfate (CAS) Mediated Oxidations of Benzophenones Possessing a Phenolic Substituent for the Synthesis of Xanthones and Related Products.","The Journal of organic chemistry","2019","84","1","150","160","10.1021/acs.joc.8b02503","","","0.71073","MoKα","","0.0658","0.039","","","0.0999","0.1128","","","","","","1.061","","","","has coordinates","227296","2020-10-21","18:00:00",""
"4035896","7.0221","0.001","19.019","0.003","19.187","0.003","90","","90","","90","","2562.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition.","The Journal of organic chemistry","2019","84","1","104","119","10.1021/acs.joc.8b02377","","","0.71073","MoKα","","0.1453","0.0629","","","0.1278","0.1658","","","","","","1.031","","","","has coordinates","227297","2020-10-21","18:00:00",""
"4035897","6.1027","0.0005","8.5357","0.0009","10.175","0.0011","112.463","0.01","95.209","0.009","99.616","0.008","475.92","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 Cl N2 O2 -","- C9 H7 Cl N2 O2 -","- C18 H14 Cl2 N4 O4 -","2","1","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition.","The Journal of organic chemistry","2019","84","1","104","119","10.1021/acs.joc.8b02377","","","0.7107","MoKα","","0.0636","0.0423","","","0.1003","0.1128","","","","","","1.026","","","","has coordinates","227297","2020-10-21","18:00:00",""
"4035898","13.5965","0.0005","10.4773","0.0004","8.6767","0.0004","90","","90","","90","","1236.04","0.09","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C56 H68 Cl4 N8 -","4","0.5","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","","0.71075","MoKα","","0.038","0.0347","","","0.085","0.0882","","","","","","1.127","","","","has coordinates","227298","2020-10-21","18:00:00",""
"4035899","11.2159","0.0003","12.4494","0.0004","12.6863","0.0005","71.2729","0.0009","77.0254","0.001","69.4681","0.0009","1558.5","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C76 H76 Cl4 N8 -","4","2","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","","0.71075","MoKα","","0.0482","0.0445","","","0.1297","0.1334","","","","","","1.153","","","","has coordinates","227298","2020-10-21","18:00:00",""
"4035900","14.0029","0.0003","13.7401","0.0003","14.1052","0.0003","90","","90","","90","","2713.86","0.1","98","","98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","RM4010","","- C14 H16 Ag Cl N2 -","- C14 H16 Ag Cl N2 -","- C112 H128 Ag8 Cl8 N16 -","8","1","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","x-ray","0.71075","MoKα","","0.0439","0.0413","","","0.1067","0.1078","","","","","","1.276","","","","has coordinates","275143","2022-05-06","20:26:43",""
"4035901","68.03","0.09","22.65","0.03","10.235","0.006","90","","90","","90","","15771","3","150","2","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C53 H38 N2 O S -","- C53 H38 N2 O S -","- C848 H608 N32 O16 S16 -","16","1","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of Unsymmetrical Heterobenzisapphyrins.","The Journal of organic chemistry","2019","84","1","417","422","10.1021/acs.joc.8b02616","","x-ray","0.71073","MoKα","","0.159","0.105","","","0.2398","0.2863","","","","","","1.028","","","","has coordinates","227301","2020-10-21","18:00:00",""
"4035902","5.6856","0.0001","15.7385","0.0003","29.0307","0.0005","90","","94.9272","0.0009","90","","2588.15","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","1","","Aboussafy, Claude Larrivée; Andersen Gersby, Lotte Bettina; Molinaro, Antonio; Newman, Mari-Anne; Lowary, Todd L.","A Convergent Route to Enantiomers of the Bicyclic Monosaccharide Bradyrhizose Leads to Insight into the Bioactivity of an Immunologically Silent Lipopolysaccharide.","The Journal of organic chemistry","2019","84","1","14","41","10.1021/acs.joc.8b02206","","","1.54178","CuKα","","0.0543","0.0521","","","0.1269","0.1283","","","","","","1.101","","","","has coordinates","227302","2020-10-21","18:00:00",""
"4035903","6.0738","0.0005","31.982","0.002","10.2483","0.0008","90","","102.879","0.005","90","","1940.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Aboussafy, Claude Larrivée; Andersen Gersby, Lotte Bettina; Molinaro, Antonio; Newman, Mari-Anne; Lowary, Todd L.","A Convergent Route to Enantiomers of the Bicyclic Monosaccharide Bradyrhizose Leads to Insight into the Bioactivity of an Immunologically Silent Lipopolysaccharide.","The Journal of organic chemistry","2019","84","1","14","41","10.1021/acs.joc.8b02206","","","1.54178","CuKα","","0.096","0.0682","","","0.1884","0.2117","","","","","","0.987","","","","has coordinates","227303","2020-10-21","18:00:00",""
"4035904","10.01","0.003","17.046","0.003","23.122","0.004","90.035","0.004","95.751","0.004","104.451","0.004","3799.9","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H37.75 Cl9 F20 N8 O9.38 Os2 Zn -","- C69 H37.74 Cl9 F20 N8 O9.37 Os2 Zn -","- C138 H75.48 Cl18 F40 N16 O18.74 Os4 Zn2 -","2","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.0887","0.0659","","","0.1603","0.1691","","","","","","1.057","","","","has coordinates,has disorder","227304","2020-10-21","18:00:00",""
"4035905","12.6745","0.0006","12.0132","0.0005","26.3857","0.0011","90","","99.5245","0.0017","90","","3962.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H8 Cl2 F20 N4 O4 -","- C43 H8 Cl2 F20 N4 O4 -","- C172 H32 Cl8 F80 N16 O16 -","4","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.0666","0.0615","","","0.1374","0.1398","","","","","","1.187","","","","has coordinates,has disorder","227305","2020-10-21","18:00:00",""
"4035906","22.412","0.004","21.631","0.004","30.193","0.005","90","","90","","90","","14637","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C568 H352 Cl48 F160 N64 O64 Os16 -","8","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1639","0.0971","","","0.2096","0.2435","","","","","","1.07","","","","has coordinates","227306","2020-10-21","18:00:00",""
"4035907","13.336","0.019","15.94","0.02","16.02","0.02","63.58","0.03","87.24","0.03","88.56","0.03","3046","7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H26 Cl3 F20 N6 O6 Os -","- C57 H26 Cl3 F20 N6 O6 Os -","- C114 H52 Cl6 F40 N12 O12 Os2 -","2","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.231","0.1458","","","0.3733","0.4484","","","","","","1.057","","","","has coordinates,has disorder","227307","2020-10-21","18:00:00",""
"4035908","28.859","0.002","49.537","0.003","12.0811","0.0007","90","","90","","90","","17271","1.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45.59 H13.97 Cl2.41 F20 N4 O4 -","- C45.588 H13.97 Cl2.412 F20 N4 O4 -","- C729.408 H223.52 Cl38.592 F320 N64 O64 -","16","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.086","0.0691","","","0.181","0.1974","","","","","","1.066","","","","has coordinates,has disorder","227308","2020-10-21","18:00:00",""
"4035909","13.33","0.004","16.128","0.005","16.174","0.005","115.91","0.004","90.019","0.005","92.124","0.005","3125","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H59 Cl15 F40 N12 O8 Os2 -","- C119 H59 Cl15 F40 N12 O8 Os2 -","- C119 H59 Cl15 F40 N12 O8 Os2 -","1","0.5","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1234","0.0992","","","0.2531","0.2812","","","","","","1.036","","","","has coordinates,has disorder","227309","2020-10-21","18:00:00",""
"4035910","7.3869","0.0004","7.8823","0.0005","16.1317","0.0009","90","","96.726","0.005","90","","932.82","0.09","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl F2 N3 O2 -","- C19 H20 Cl F2 N3 O2 -","- C38 H40 Cl2 F4 N6 O4 -","2","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","","0.71073","MoKα","","0.0812","0.0557","","","0.0932","0.1188","","","","","","1.055","","","","has coordinates","227310","2020-10-21","18:00:00",""
"4035911","7.00151","0.00015","9.9401","0.0003","29.1848","0.0008","90","","90","","90","","2031.14","0.09","293.19","0.1","293.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 O3 -","- C23 H22 F N3 O3 -","- C92 H88 F4 N12 O12 -","4","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","x-ray","1.54184","CuKα","","0.0395","0.0354","","","0.0873","0.0911","","","","","","1.044","","","","has coordinates","227311","2020-10-21","18:00:00",""
"4035912","6.9619","0.0014","9.2892","0.0019","15.045","0.004","93.627","0.018","99.834","0.018","93.558","0.016","954.1","0.4","291.93","0.1","291.93","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O3 -","- C22 H19 F N2 O3 -","- C44 H38 F2 N4 O6 -","2","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","","0.71073","MoKα","","0.1196","0.061","","","0.1192","0.1625","","","","","","1.035","","","","has coordinates","227312","2020-10-21","18:00:00",""
"4035913","7.4505","0.0006","11.269","0.0009","31.662","0.002","90","","90","","90","","2658.3","0.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","1","","An, Hejun; Mai, Shaoyu; Xuan, Qingqing; Zhou, Yao; Song, Qiuling","Gold-Catalyzed Radical-Involved Intramolecular Cyclization of Internal N-Propargylamides for the Construction of 5-Oxazole Ketones.","The Journal of organic chemistry","2019","84","1","401","408","10.1021/acs.joc.8b02334","","x-ray","0.71073","MoKα","","0.0846","0.0586","","","0.1342","0.169","","","","","","0.9801","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035914","19.469","0.01","9.394","0.005","20.403","0.011","90","","92.166","0.009","90","","3729","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N -","- C25 H16 F3 N -","- C200 H128 F24 N8 -","8","2","","Zhang, Tao; Chen, Fan; Zhang, Xiao-Hong; Qian, Peng-Cheng; Zhang, Xing-Guo","Palladium-Catalyzed Tandem Carbocyclization and Hetroarylation for the Synthesis of 2-(Trifluoromethyl)indenylmethyleneindoles.","The Journal of organic chemistry","2019","84","1","307","313","10.1021/acs.joc.8b02781","","","0.71073","MoKα","","0.0717","0.0503","","","0.1599","0.1863","","","","","","1.085","","","","has coordinates","227314","2020-10-21","18:00:00",""
"4035915","6.4521","0.0004","10.1091","0.0006","21.6537","0.0012","90","","90","","90","","1412.36","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0311","0.0289","","","0.0701","0.0714","","","","","","1.058","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035916","8.8548","0.0005","10.0501","0.0006","20.0035","0.0012","90","","101.423","0.002","90","","1744.88","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F O3 S -","- C22 H17 F O3 S -","- C88 H68 F4 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0355","0.0308","","","0.0781","0.0811","","","","","","1.034","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035917","7.0055","0.0013","10.701","0.002","13.367","0.003","71.146","0.007","75.076","0.006","85.59","0.007","916.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C46 H40 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0782","0.05","","","0.1189","0.1321","","","","","","1.028","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035918","12.756","0.004","8.772","0.003","19.326","0.006","90","","106.925","0.013","90","","2068.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C100 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0579","0.0438","","","0.1056","0.1156","","","","","","1.025","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035919","8.524","0.0016","10.785","0.002","12.112","0.002","110.385","0.006","97.83","0.006","98.906","0.006","1009.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 O3 S -","- C27 H22 O3 S -","- C54 H44 O6 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0854","0.0528","","","0.1341","0.1489","","","","","","1.085","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035920","8.5464","0.0003","9.709","0.0004","11.3017","0.0004","66.561","0.004","85.785","0.003","69.576","0.003","803.98","0.06","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Jing, Kun; Wang, Xiang-Nan; Wang, Guan-Wu","Diastereoselective Synthesis of Oxazoloisoindolinones via Cascade Pd-Catalyzed ortho-Acylation of N-Benzoyl α-Amino Acid Derivatives and Subsequent Double Intramolecular Cyclizations.","The Journal of organic chemistry","2019","84","1","161","172","10.1021/acs.joc.8b02509","","","1.54184","CuKα","","0.0592","0.0559","","","0.1474","0.1506","","","","","","1.056","","","","has coordinates,has disorder","227316","2020-10-21","18:00:00",""
"4035921","13.3398","0.0001","9.9841","0.0001","25.3045","0.0002","90","","96.555","0.001","90","","3348.17","0.05","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Jing, Kun; Wang, Xiang-Nan; Wang, Guan-Wu","Diastereoselective Synthesis of Oxazoloisoindolinones via Cascade Pd-Catalyzed ortho-Acylation of N-Benzoyl α-Amino Acid Derivatives and Subsequent Double Intramolecular Cyclizations.","The Journal of organic chemistry","2019","84","1","161","172","10.1021/acs.joc.8b02509","","","1.54184","CuKα","","0.0455","0.0447","","","0.1173","0.118","","","","","","1.079","","","","has coordinates","227317","2020-10-21","18:00:00",""
"4035922","48.0321","0.0015","10.6191","0.0002","14.3112","0.0005","90","","98.054","0.003","90","","7227.5","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H98 N4 O6 S4 Si4 -","- C58 H98 N4 O6 S4 Si4 -","- C232 H392 N16 O24 S16 Si16 -","4","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.066","0.0401","","","0.0984","0.1077","","","","","","0.969","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035923","7.368","0.002","19.751","0.006","19.406","0.006","90","","98.02","0.009","90","","2796.4","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O6 S2 -","- C26 H32 N4 O6 S2 -","- C104 H128 N16 O24 S8 -","4","1","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1783","0.1178","","","0.3015","0.3472","","","","","","1.027","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035924","10.3012","0.0007","11.484","0.0009","12.611","0.0009","81.906","0.006","72.145","0.006","68.197","0.006","1317.82","0.18","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O4 S2 -","- C26 H32 N4 O4 S2 -","- C52 H64 N8 O8 S4 -","2","1","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1052","0.0528","","","0.1139","0.1356","","","","","","1.017","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035925","16.173","0.008","6.265","0.003","16.682","0.008","90","","102.457","0.009","90","","1650.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N4 O6 S4 -","- C34 H36 N4 O6 S4 -","- C68 H72 N8 O12 S8 -","2","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1522","0.0768","","","0.1453","0.1724","","","","","","0.998","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035926","7.9063","0.0009","8.9584","0.0007","7.9434","0.001","90","","99.907","0.009","90","","554.22","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.0313","0.0286","","","0.0768","0.0788","","","","","","1.049","","","","has coordinates","227319","2020-10-21","18:00:00",""
"4035927","10.21201","0.00018","8.56525","0.00017","13.5471","0.0003","90","","93.5862","0.0017","90","","1182.62","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N3 O5 S -","- C25 H20 F3 N3 O5 S -","- C50 H40 F6 N6 O10 S2 -","2","1","","Wang, Cong; Li, Nan; Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Asymmetric Michael Addition of 2-Acetyl Azaarenes to β-CF<sub>3</sub>-β-(3-indolyl)nitroalkenes Catalyzed by a Cobalt(II)/(imidazoline-oxazoline) Complex.","The Journal of organic chemistry","2019","84","1","191","203","10.1021/acs.joc.8b02601","","x-ray","1.54184","CuKα","","0.0368","0.0351","","","0.0917","0.0941","","","","","","1.059","","","","has coordinates","227320","2020-10-21","18:00:00",""
"4035928","13.6805","0.0016","9.6013","0.0011","18.12","0.002","90","","107.042","0.003","90","","2275.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Br2 Cl2 O2 -","- C25 H16 Br2 Cl2 O2 -","- C100 H64 Br8 Cl8 O8 -","4","1","","Chai, Guo-Li; Zhu, Bo; Chang, Junbiao","Synthesis and Application of Substituted 1,16-Dihydroxytetraphenylenes in Catalytic Asymmetric Allylboration of Ketones.","The Journal of organic chemistry","2019","84","1","120","127","10.1021/acs.joc.8b02475","","","0.71073","MoKα","","0.1015","0.0549","","","0.1283","0.1488","","","","","","1.039","","","","has coordinates","227321","2020-10-21","18:00:00",""
"4035929","22.832","0.008","13.024","0.005","20.26","0.008","90","","104.866","0.007","90","","5823","4","293","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Br2 O2 -","- C24 H12 Br2 O2 -","- C288 H144 Br24 O24 -","12","1.5","","Chai, Guo-Li; Zhu, Bo; Chang, Junbiao","Synthesis and Application of Substituted 1,16-Dihydroxytetraphenylenes in Catalytic Asymmetric Allylboration of Ketones.","The Journal of organic chemistry","2019","84","1","120","127","10.1021/acs.joc.8b02475","","","0.71073","MoKα","","0.1995","0.061","","","0.1031","0.1378","","","","","","0.957","","","","has coordinates","227322","2020-10-21","18:00:00",""
"4035930","6.1289","0.0001","9.1873","0.0002","18.5609","0.0003","90","","97.518","0.001","90","","1036.14","0.03","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O8 -","- C22 H30 O8 -","- C44 H60 O16 -","2","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0474","0.0403","","","0.0939","0.0979","","","","","","1.055","","","","has coordinates","227323","2020-10-21","18:00:00",""
"4035931","33.1345","0.0005","5.7877","0.0001","10.7579","0.0002","90","","92.181","0.001","90","","2061.58","0.06","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0416","0.0367","","","0.0909","0.0945","","","","","","1.029","","","","has coordinates","227324","2020-10-21","18:00:00",""
"4035932","6.4833","0.0002","18.1783","0.0006","13.2669","0.0004","90","","101.976","0.001","90","","1529.54","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl6 O2 Sb -","- C9 H9 Cl6 O2 Sb -","- C36 H36 Cl24 O8 Sb4 -","4","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.017","0.0165","","","0.0371","0.0373","","","","","","1.242","","","","has coordinates","227325","2020-10-21","18:00:00",""
"4035933","9.8238","0.0009","19.393","0.0017","9.8685","0.0009","90","","94.8734","0.0012","90","","1873.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl6 N O3 Sb -","- C11 H14 Cl6 N O3 Sb -","- C44 H56 Cl24 N4 O12 Sb4 -","4","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0186","0.0175","","","0.0418","0.0424","","","","","","1.13","","","","has coordinates","227326","2020-10-21","18:00:00",""
"4035934","13.4466","0.0003","9.1948","0.0002","17.3481","0.0004","90","","90","","90","","2144.9","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0406","0.0319","","","0.0783","0.0842","","","","","","1.025","","","","has coordinates","227327","2020-10-21","18:00:00",""
"4035935","18.3837","0.0006","7.0496","0.0002","24.2591","0.0007","90","","93.266","0.001","90","","3138.82","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl6 O2 Sb -","- C9 H9 Cl6 O2 Sb -","- C72 H72 Cl48 O16 Sb8 -","8","2","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0456","0.0284","","","0.0551","0.0604","","","","","","1.035","","","","has coordinates","227328","2020-10-21","18:00:00",""
"4035936","5.81","0.003","10.115","0.006","25.579","0.014","90","","90","","90","","1503.2","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Br F O5 -","- C13 H19 Br F O5 -","- C52 H76 Br4 F4 O20 -","4","1","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.119","0.0475","","","0.0585","0.0694","","","","","","0.783","","","","has coordinates","227329","2020-10-21","18:00:00",""
"4035937","17.659","0.0015","17.659","0.0015","14.3682","0.0012","90","","90","","90","","4480.6","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C9 H10 Br F N2 O5 -","- C9 H10 Br F N2 O5 -","- C144 H160 Br16 F16 N32 O80 -","16","2","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.0199","0.0179","","","0.0439","0.0443","","","","","","1.021","","","","has coordinates","264242","2021-04-16","08:49:21",""
"4035938","8.846","0.0006","10.5118","0.0007","20.6078","0.0014","90","","90","","90","","1916.3","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-3-((triisopropylsilyl)ethynyl)dihydro-furan-2(3H)-one","","- C17 H30 O4 Si -","- C17 H30 O4 Si -","- C68 H120 O16 Si4 -","4","1","","Zhong, Yong-Li; Cleator, Ed; Liu, Zhijian; Yin, Jianguo; Morris, William J.; Alam, Mahbub; Bishop, Brian; Dumas, Aaron M.; Edwards, John; Goodyear, Adrian; Mullens, Peter; Song, Zhiguo Jake; Shevlin, Michael; Thaisrivongs, David A.; Li, Hongming; Sherer, Edward C.; Cohen, Ryan D.; Yin, Jingjun; Tan, Lushi; Yasuda, Nobuyoshi; Limanto, John; Davies, Antony; Campos, Kevin R.","Highly Diastereoselective Synthesis of a HCV NS5B Nucleoside Polymerase Inhibitor.","The Journal of organic chemistry","2019","84","8","4780","4795","10.1021/acs.joc.8b02500","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0554","0.0555","","","","","","1.042","","","","has coordinates","227331","2020-10-21","18:00:00",""
"4035939","42.959","0.006","12.0548","0.0017","8.2298","0.0016","90","","90.61","0.006","90","","4261.7","1.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20.5 H18 F4 N5 O2 S -","- C20.5 H18 F4 N5 O2 S -","- C164 H144 F32 N40 O16 S8 -","8","2","","Oguma, Takuya; Anan, Kosuke; Suzuki, Shinji; Hisakawa, Shinya; Takada, Akihiro; Ogawa, Masayoshi; Kusakabe, Ken-Ichi","Synthesis of a 6-CF<sub>3</sub>-Substituted 2-Amino-dihydro-1,3-thiazine β-Secretase Inhibitor by N, N-Diethylaminosulfur Trifluoride-Mediated Chemoselective Cyclization.","The Journal of organic chemistry","2019","84","8","4893","4897","10.1021/acs.joc.8b02179","","","1.54187","CuKα","","0.064","0.0627","","","0.1703","0.1709","","","","","","1.079","","","","has coordinates","227332","2020-10-21","18:00:00",""
"4035940","9.0177","0.0007","10.4022","0.0009","10.8349","0.0009","97.211","0.003","95.918","0.002","96.014","0.003","995.78","0.14","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N4 O4 S2 -","- C48 H48 N4 O4 S2 -","- C48 H48 N4 O4 S2 -","1","0.5","","Chauhan, Navya; Pradhan, Sajan; Ghorai, Manas K.","Stereospecific Synthesis of Highly Substituted Piperazines via an One-Pot Three Component Ring-Opening Cyclization from N-Activated Aziridines, Anilines, and Propargyl Carbonates.","The Journal of organic chemistry","2019","84","4","1757","1765","10.1021/acs.joc.8b02259","","","0.71073","MoKα","","0.0705","0.0456","","","0.1216","0.151","","","","","","1.164","","","","has coordinates","227333","2020-10-21","18:00:00",""
"4035941","5.1381","0.0009","10.587","0.002","13.334","0.002","104.09","0.015","92.295","0.014","103.6","0.016","680.1","0.2","100","10","100","10","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N3 O2 -","- C15 H12 F3 N3 O2 -","- C30 H24 F6 N6 O4 -","2","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0888","0.0674","","","0.1774","0.1961","","","","","","1.021","","","","has coordinates","227334","2020-10-21","18:00:00",""
"4035942","13.2944","0.0006","9.4754","0.0004","13.8198","0.0006","90","","90.284","0.004","90","","1740.86","0.13","100","10","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O5 S -","- C17 H19 N3 O5 S -","- C68 H76 N12 O20 S4 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0412","0.0373","","","0.0909","0.0935","","","","","","1.056","","","","has coordinates","227335","2020-10-21","18:00:00",""
"4035943","5.0629","0.0001","12.817","0.0002","19.6202","0.0003","90","","96.844","0.001","90","","1264.11","0.04","100","10","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0374","0.0362","","","0.0996","0.1006","","","","","","1.05","","","","has coordinates","227336","2020-10-21","18:00:00",""
"4035944","5.069","0.0002","26.9119","0.0012","9.2857","0.0004","90","","102.161","0.005","90","","1238.3","0.09","100","10","100","10","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0476","0.0441","","","0.1164","0.12","","","","","","1.072","","","","has coordinates","227337","2020-10-21","18:00:00",""
"4035945","9.1912","0.0003","11.3929","0.0005","13.7464","0.0006","90","","90","","90","","1439.45","0.1","100","10","100","10","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0422","0.0412","","","0.1078","0.1089","","","","","","1.039","","","","has coordinates","227338","2020-10-21","18:00:00",""
"4035946","10.1629","0.0005","14.3553","0.0006","20.1376","0.001","90","","90","","90","","2937.9","0.2","299.12","0.1","299.12","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C128 H112 F24 N24 O16 -","8","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0466","0.0383","","","0.0898","0.0949","","","","","","1.024","","","","has coordinates","227339","2020-10-21","18:00:00",""
"4035947","8.6477","0.0004","16.423","0.0006","11.6919","0.0005","90","","104.122","0.004","90","","1610.31","0.12","110","1","110","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Khelifi, Ilhem; Zhao, Guangkuan; Ghermani, Nour-Eddine; Provot, Olivier; Alami, Mouad","Unexpected Oxidative Ring Opening of Electron-Rich 3-Aminobenzofurans into α-Ketoimines Derivatives.","The Journal of organic chemistry","2019","84","4","1725","1733","10.1021/acs.joc.8b01685","","x-ray","0.71073","MoKα","","0.0616","0.0454","","","0.1107","0.1231","","","","","","1.054","","","","has coordinates","227340","2020-10-21","18:00:00",""
"4035948","21.244","0.003","19.83","0.003","14.957","0.002","90","","90","","90","","6300.9","1.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Lu2@C2v-C82 NHC","Lu2@C3v-C82 NHC","","- C106 H24 Lu2 N2 S6 -","- C106 H24 Lu1.9978 N2 S6 -","- C424 H96 Lu7.9912 N8 S24 -","4","0.5","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.1712","0.1581","","","0.372","0.381","","","","","","1.088","","","","has coordinates,has disorder","227341","2020-10-21","18:00:00",""
"4035949","20.132","0.005","20.735","0.005","14.696","0.005","90","0.005","90.598","0.005","90","0.005","6134","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Me-NHC","Me-NHC","","- C107 H38 Lu3 N3 S0 -","- C107 H38 Lu3 N3 -","- C428 H152 Lu12 N12 -","4","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71069","MoKα","","0.1017","0.0631","","","0.1429","0.1705","","","","","","1.019","","","","has coordinates,has disorder","227342","2020-10-21","18:00:00",""
"4035950","26.199","0.007","11.22","0.003","20.553","0.005","90","","107.986","0.007","90","","5746","3","170","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@C2v-C82 NHC","Lu2@C2v-C82 NHC","","- C419 H96 Lu8 N8 S13 -","- C419 H96 Lu7.9976 N8 S13 -","- C419 H96 Lu7.9976 N8 S13 -","1","0.125","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.1441","0.1301","","","0.293","0.3021","","","","","","1.115","","","","has coordinates,has disorder","227343","2020-10-21","18:00:00",""
"4035951","25.423","0.003","15.6051","0.0015","28.953","0.003","90","","90","","90","","11486","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Me+O-NHC","Me+O-NHC","","- C102 H24 Lu3 N3 O S2 -","- C102 H24 Lu2.9999 N3 O S2 -","- C816 H192 Lu23.9992 N24 O8 S16 -","8","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.0916","0.0789","","","0.1647","0.1716","","","","","","1.151","","","","has coordinates,has disorder","227344","2020-10-21","18:00:00",""
"4035952","5.6641","0.0001","8.0176","0.0002","19.4004","0.0004","90","","94.876","0.002","90","","877.83","0.03","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O4 -","- C20 H19 Br O4 -","- C40 H38 Br2 O8 -","2","1","","Hoffmeyer, Patrick; Schneider, Christoph","Stereoselective Synthesis of 2,3,5-Trisubstituted Tetrahydrofurans Initiated by a Titanium-BINOLate-Catalyzed Vinylogous Aldol Reaction.","The Journal of organic chemistry","2019","84","2","1079","1084","10.1021/acs.joc.8b02828","","","0.71073","MoKα","","0.033","0.0264","","","0.054","0.0566","","","","","","1.03","","","","has coordinates,has disorder","227345","2020-10-21","18:00:00",""
"4035953","16.2996","0.0009","9.0953","0.0005","13.4799","0.0006","90","","101.291","0.002","90","","1959.71","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 O P -","- C28 H17 O P -","- C112 H68 O4 P4 -","4","1","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","","0.71073","MoKα","","0.129","0.0602","","","0.1297","0.1584","","","","","","1.01","","","","has coordinates","227346","2020-10-21","18:00:00",""
"4035954","9.3936","0.0008","11.2389","0.0011","11.6385","0.0011","114.26","0.004","97.195","0.004","92.441","0.004","1105.37","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C57 H40 Cl2 O4 P2 -","- C57 H40 Cl2 O4 P2 -","- C57 H40 Cl2 O4 P2 -","1","0.5","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","x-ray","0.71073","MoKα","","0.0748","0.0544","","","0.1307","0.1422","","","","","","1.075","","","","has coordinates","227347","2020-10-21","18:00:00",""
"4035955","9.0297","0.0003","10.1542","0.0003","19.3621","0.0006","90","","90","","90","","1775.3","0.1","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Si -","- C24 H18 Si -","- C96 H72 Si4 -","4","1","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0812","0.083","","","","","","1.047","","","","has coordinates","227348","2020-10-21","18:00:00",""
"4035956","12.9334","0.0013","11.7951","0.0012","10.7132","0.0011","90","","100.176","0.002","90","","1608.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F4 N -","- C18 H18 B F4 N -","- C72 H72 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1421","0.0492","","","0.0922","0.1182","","","","","","0.942","","","","has coordinates","227349","2020-10-21","18:00:00",""
"4035957","9.1735","0.0014","13.378","0.002","19.632","0.003","80.22","0.003","89.344","0.003","77.052","0.003","2313","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O7 -","- C22 H19 N5 O7 -","- C88 H76 N20 O28 -","4","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1779","0.0811","","","0.1711","0.1922","","","","","","1.017","","","","has coordinates","227350","2020-10-21","18:00:00",""
"4035958","10.2319","0.0013","10.7218","0.0014","13.463","0.002","90","","100.27","0.004","90","","1453.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 B F4 N2 -","- C15 H17 B F4 N2 -","- C60 H68 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1113","0.0589","","","0.1109","0.1396","","","","","","1.029","","","","has coordinates","227351","2020-10-21","18:00:00",""
"4035959","6.3354","0.0003","19.0291","0.0009","17.215","0.0008","90","","90.203","0.001","90","","2075.38","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 B F4 N2 -","- C23 H25 B F4 N2 -","- C92 H100 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.0782","0.0465","","","0.0945","0.1128","","","","","","1.028","","","","has coordinates","227352","2020-10-21","18:00:00",""
"4035960","7.8332","0.0015","11.886","0.002","11.962","0.002","99.791","0.004","97.172","0.004","107.373","0.004","1029","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 B F4 N3 O2 -","- C22 H22 B F4 N3 O2 -","- C44 H44 B2 F8 N6 O4 -","2","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1487","0.0757","","","0.1432","0.1759","","","","","","1.029","","","","has coordinates","227353","2020-10-21","18:00:00",""
"4035961","25.511","0.006","25.511","0.006","8.04","0.002","90","","90","","90","","5233","2","120","2","120","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C256 H256 N32 -","16","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1274","0.0523","","","0.0988","0.124","","","","","","0.97","","","","has coordinates","227354","2020-10-21","18:00:00",""
"4035962","5.75922","0.00014","24.0052","0.0005","10.1828","0.0002","90","","104.555","0.002","90","","1362.6","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O6 P S -","- C24 H39 N2 O6 P S -","- C48 H78 N4 O12 P2 S2 -","2","1","","Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.","The Journal of organic chemistry","2019","84","2","1094","1102","10.1021/acs.joc.8b02843","","x-ray","1.54184","CuKα","","0.0413","0.038","","","0.0902","0.0931","","","","","","1.066","","","","has coordinates,has disorder","227355","2020-10-21","18:00:00",""
"4035963","27.2663","0.0002","27.2663","0.0002","12.3982","0.0002","90","","90","","90","","9217.46","0.18","150","0.1","150","0.1","","","","","","","synthesis as described","6","I 41/a :2","-I 4ad","88","","","","- C22 H26 F N2 O4 P -","- C22 H26 F N2 O4 P -","- C352 H416 F16 N32 O64 P16 -","16","1","","Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.","The Journal of organic chemistry","2019","84","2","1094","1102","10.1021/acs.joc.8b02843","","x-ray","1.54184","CuKα","","0.0525","0.0484","","","0.1356","0.1396","","","","","","1.065","","","","has coordinates,has disorder","227356","2020-10-21","18:00:00",""
"4035964","29.6415","0.0005","8.72785","0.00014","18.2127","0.0003","90","","90.6805","0.0014","90","","4711.41","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 F3 N2 O2 -","- C28 H23 F3 N2 O2 -","- C224 H184 F24 N16 O16 -","8","1","","Wang, Qijun; Wang, Bo; Deng, Hao; Shangguan, Yu; Lin, Yan; Zhang, Yaqi; Zhang, Zheming; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Silver-Catalyzed Three-Component Difunctionalization of Alkenes via Radical Pathways: Access to CF<sub>3</sub>-Functionalized Alkyl-Substituted 1,4-Naphthoquinone Derivatives.","The Journal of organic chemistry","2019","84","2","1006","1014","10.1021/acs.joc.8b02997","","x-ray","1.54184","CuKα","","0.0579","0.0536","","","0.147","0.154","","","","","","1.034","","","","has coordinates","227357","2020-10-21","18:00:00",""
"4035965","8.623","0.0012","9.5904","0.0012","12.8096","0.0016","102.175","0.01","92.846","0.011","98.99","0.011","1019","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 F N O3 -","- C25 H20 F N O3 -","- C50 H40 F2 N2 O6 -","2","1","","Li, De-Feng; Gu, Yan; Zhang, Jing-Ru; Liu, Kun; Zhao, Li-Ming","Diastereoselective Construction of Spiro-furo[3,2- c]benzopyranoxindoles through a Cu(OTf)<sub>2</sub>/AcOH Cooperative Promoted Bicyclization Reaction.","The Journal of organic chemistry","2019","84","2","879","887","10.1021/acs.joc.8b02762","","x-ray","0.71073","MoKα","","0.1449","0.0656","","","0.1439","0.1982","","","","","","0.917","","","","has coordinates","227358","2020-10-21","18:00:00",""
"4035966","18.795","0.004","6.7049","0.0008","43.048","0.008","90","","101.359","0.018","90","","5318.6","1.7","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H27 N3 O6 S -","- C27 H27 N3 O6 S -","- C216 H216 N24 O48 S8 -","8","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2989","0.1039","","","0.1348","0.1971","","","","","","1.013","","","","has coordinates","227359","2020-10-21","18:00:00",""
"4035967","7.1605","0.0012","11.4577","0.0014","22.362","0.002","96.348","0.009","99.163","0.011","108.189","0.012","1695.4","0.4","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 N2 O3 -","- C18 H14 Cl2 N2 O3 -","- C72 H56 Cl8 N8 O12 -","4","2","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2402","0.081","","","0.2017","0.276","","","","","","0.986","","","","has coordinates","227360","2020-10-21","18:00:00",""
"4035968","12.674","0.003","7.0239","0.0014","18.455","0.004","90","","108.04","0.02","90","","1562.1","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2238","0.1689","","","0.455","0.4844","","","","","","1.576","","","","has coordinates","227361","2020-10-21","18:00:00",""
"4035969","9.9275","0.0003","10.6817","0.0004","17.0657","0.0007","90","","92.797","0.004","90","","1807.53","0.11","291","","291","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.0423","0.0384","","","0.0953","0.099","","","","","","1.037","","","","has coordinates","227362","2020-10-21","18:00:00",""
"4035970","12.306","0.003","9.758","0.002","17.335","0.005","90","","105.34","0.03","90","","2007.5","0.9","291","","291","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2353","0.0762","","","0.1542","0.2567","","","","","","0.874","","","","has coordinates","227363","2020-10-21","18:00:00",""
"4035971","11.3525","0.0005","17.2191","0.0006","8.8785","0.0003","90","","96.982","0.003","90","","1722.7","0.11","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C84 H68 N12 O12 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.0599","0.0413","","","0.1034","0.1163","","","","","","1.015","","","","has coordinates","227364","2020-10-21","18:00:00",""
"4035972","15.346","0.0018","5.6824","0.0006","13.3043","0.0012","90","","90","","90","","1160.2","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-amino-2-phenyl-8-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0358","0.0316","","","0.0792","0.0835","","","","","","1.05","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035973","3.8638","0.0003","12.3396","0.0009","23.9712","0.0019","90","","90.007","0.004","90","","1142.89","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2-phenyl-5-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","2","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.068","0.0434","","","0.1198","0.1414","","","","","","1.028","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035974","10.9843","0.0005","14.3764","0.0006","7.3629","0.0003","90","","101.026","0.002","90","","1141.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-3'-methoxy-[1,1'-biphenyl]-4-carbonitrile","","- C14 H10 F N O -","- C14 H10 F N O -","- C56 H40 F4 N4 O4 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0655","0.0531","","","0.1586","0.1749","","","","","","1.11","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035975","7.246","0.0005","25.6754","0.0018","7.4701","0.0005","90","","113.808","0.003","90","","1271.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-difluoro-4-(naphthalen-1-yl)benzonitrile","","- C17 H9 F2 N -","- C17 H9 F2 N -","- C68 H36 F8 N4 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0543","0.0379","","","0.1079","0.1294","","","","","","1.121","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035976","11.2142","0.0006","25.3615","0.0011","11.4422","0.0007","90","","108.702","0.002","90","","3082.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.5 H29 Cl N2 O4.5 -","- C33.5 H29 Cl N2 O4.5 -","- C134 H116 Cl4 N8 O18 -","4","2","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.061","0.0509","","","0.1365","0.1436","","","","","","1.057","","","","has coordinates,has disorder","227366","2020-10-21","18:00:00",""
"4035977","13.2027","0.0004","8.2361","0.0002","24.8945","0.0006","90","","90.564","0.001","90","","2706.87","0.12","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cl N3 O4 -","- C33 H28 Cl N3 O4 -","- C132 H112 Cl4 N12 O16 -","4","1","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.0539","0.0403","","","0.0948","0.1035","","","","","","1.047","","","","has coordinates","227367","2020-10-21","18:00:00",""
"4035978","8.4563","0.0002","23.5963","0.0005","16.0089","0.0004","90","","99.308","0.001","90","","3152.31","0.13","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl N3 O4 -","- C37 H32 Cl N3 O4 -","- C148 H128 Cl4 N12 O16 -","4","1","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.0413","0.0365","","","0.0954","0.0994","","","","","","1.032","","","","has coordinates","227368","2020-10-21","18:00:00",""
"4035979","11.545","0.0003","10.3342","0.0003","8.9226","0.0002","90","","93.57","0.002","90","","1062.47","0.05","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br N O4 S -","- C8 H8 Br N O4 S -","- C32 H32 Br4 N4 O16 S4 -","4","1","","Gilles, Philippe; Veryser, Cedrick; Vangrunderbeeck, Sarah; Ceusters, Sam; Van Meervelt, Luc; De Borggraeve, Wim M.","Synthesis of N-Acyl Sulfamates from Fluorosulfates and Amides.","The Journal of organic chemistry","2019","84","2","1070","1078","10.1021/acs.joc.8b02785","","x-ray","0.71073","MoKα","","0.0258","0.0249","","","0.0654","0.066","","","","","","1.041","","","","has coordinates","227369","2020-10-21","18:00:00",""
"4035980","8.2394","0.0005","10.4297","0.0007","13.8617","0.0008","79.069","0.005","83.88","0.005","89.814","0.005","1162.74","0.13","294","0.11","294","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 N O5 S2 -","- C9 H9 N O5 S2 -","- C36 H36 N4 O20 S8 -","4","2","","Gilles, Philippe; Veryser, Cedrick; Vangrunderbeeck, Sarah; Ceusters, Sam; Van Meervelt, Luc; De Borggraeve, Wim M.","Synthesis of N-Acyl Sulfamates from Fluorosulfates and Amides.","The Journal of organic chemistry","2019","84","2","1070","1078","10.1021/acs.joc.8b02785","","x-ray","0.71073","MoKα","","0.0792","0.0455","","","0.1049","0.1239","","","","","","1.017","","","","has coordinates","227370","2020-10-21","18:00:00",""
"4035981","9.571","0.002","10.703","0.003","12.016","0.003","82.755","0.009","83.644","0.009","86.742","0.008","1212.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.2505","0.084","","","0.1325","0.1626","","","","","","1.015","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035982","11.852","0.003","9.52","0.002","21.501","0.006","90","","104.502","0.008","90","","2348.7","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C100 H120 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1504","0.0639","","","0.1535","0.1876","","","","","","1.017","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035983","9.5634","0.001","11.1224","0.0012","22.362","0.002","90","","100.055","0.004","90","","2342.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N2 O5 -","- C27 H25 F N2 O5 -","- C108 H100 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.151","0.0638","","","0.1309","0.1591","","","","","","1.015","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035984","10.643","0.003","10.801","0.003","12.45","0.004","82.896","0.009","84.637","0.009","87.675","0.009","1413.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C54 H50 Cl2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1078","0.0617","","","0.1698","0.1831","","","","","","1.067","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035985","11.806","0.004","9.349","0.004","21.788","0.007","90","","105.72","","90","","2314.9","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl N2 O5 -","- C24 H27 Cl N2 O5 -","- C96 H108 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.2016","0.0717","","","0.1586","0.1951","","","","","","0.986","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035986","8.937","0.0017","9.5663","0.0018","11.885","0.002","95.002","0.006","90.131","0.006","99.912","0.006","997","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Cl N2 O5 -","- C21 H21 Cl N2 O5 -","- C42 H42 Cl2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0897","0.052","","","0.1171","0.1338","","","","","","1.016","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035987","9.958","0.003","10.022","0.003","13.449","0.004","82.113","0.008","74.432","0.009","67.704","0.008","1195.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C48 H58 N6 O12 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1021","0.0547","","","0.1314","0.1537","","","","","","1.022","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035988","8.036","0.003","8.365","0.002","14.182","0.004","99.935","0.009","98.973","0.01","90.533","0.011","926.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F N2 O5 -","- C20 H19 F N2 O5 -","- C40 H38 F2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0903","0.0525","","","0.121","0.1371","","","","","","1.022","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035989","7.9925","0.0017","9.4075","0.0017","25.078","0.005","90","","90.754","0.008","90","","1885.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1233","0.1059","","","0.2816","0.2965","","","","","","1.007","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035990","8.473","0.003","11.408","0.003","12.922","0.004","97.836","0.009","100.573","0.01","101.321","0.01","1184.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 N2 O5 -","- C21 H19 F3 N2 O5 -","- C42 H38 F6 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1195","0.074","","","0.2143","0.237","","","","","","1.087","","","","has coordinates,has disorder","227371","2020-10-21","18:00:00",""
"4035991","9.0321","0.001","18.163","0.002","11.1885","0.0013","90","","92.013","0.004","90","","1834.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0849","0.0528","","","0.1279","0.1493","","","","","","1.122","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035992","8.8658","0.0011","17.995","0.002","11.1606","0.0014","90","","92.884","0.004","90","","1778.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 F N2 O5 -","- C20 H19 F N2 O5 -","- C80 H76 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0847","0.0469","","","0.1028","0.1155","","","","","","1.043","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035993","8.9042","0.0011","18.097","0.002","11.3927","0.0015","90","","92.297","0.004","90","","1834.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0716","0.0466","","","0.1066","0.1175","","","","","","1.015","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035994","9.1526","0.0019","9.557","0.002","11.185","0.003","81.811","0.006","87.933","0.006","82.353","0.006","959.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br N2 O5 -","- C20 H19 Br N2 O5 -","- C40 H38 Br2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.042","0.0319","","","0.0784","0.0826","","","","","","1.051","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035995","7.6659","0.0008","21.313","0.002","15.1393","0.0016","90","","101.551","0.003","90","","2423.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C112 H112 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1117","0.062","","","0.1447","0.1719","","","","","","1.057","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035996","7.7696","0.0009","19.945","0.002","15.1798","0.0016","90","","102.142","0.004","90","","2299.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N2 O5 -","- C27 H25 F N2 O5 -","- C108 H100 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0993","0.056","","","0.1362","0.1567","","","","","","1.02","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035997","7.7039","0.0011","20.96","0.003","15.257","0.003","90","","102.356","0.005","90","","2406.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C108 H100 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1335","0.0596","","","0.1274","0.155","","","","","","1.02","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035998","9.306","0.002","9.447","0.002","17.344","0.004","90","","90","","90","","1524.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.077","0.0473","","","0.096","0.1066","","","","","","1.039","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035999","8.5742","0.0008","9.9875","0.0009","11.2641","0.001","77.561","0.003","77.38","0.003","66.025","0.003","851.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1087","0.0827","","","0.2174","0.2441","","","","","","1.057","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4036000","12.4803","0.0001","17.4877","0.0001","18.5699","0.0002","90","","90","","90","","4052.91","0.06","123","2","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9,9'-dimethoxy-3H,3'H-1,1'-bibenzo[f]chromene","","- C28 H22 O4 -","- C28 H22 O4 -","- C224 H176 O32 -","8","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.045","0.0427","","","0.1159","0.118","","","","","","1.032","","","","has coordinates","227374","2020-10-21","18:00:00",""
"4036001","11.2662","0.0002","15.6756","0.0002","14.1746","0.0003","90","","90","","90","","2503.3","0.08","150","2","150","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H20 Br2 O2 -","- C32 H20 Br2 O2 -","- C128 H80 Br8 O8 -","4","0.5","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","","1.5418","CuKα","","0.0467","0.046","","","0.1336","0.1351","","","","","","1.082","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4036002","14.84939","0.00017","5.00377","0.00004","23.0085","0.0002","90","","103.007","0.001","90","","1665.74","0.03","123","2","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.0483","0.0462","","","0.1169","0.1194","","","","","","1.13","","","","has coordinates","227376","2020-10-21","18:00:00",""
"4036003","15.9367","0.0002","6.7628","0.0001","16.9558","0.0003","90","","117.243","0.0008","90","","1624.73","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 F3 N2 O4 -","- C14 H13 F3 N2 O4 -","- C56 H52 F12 N8 O16 -","4","2","","Hu, Bin; Deng, Li","Direct Catalytic Asymmetric Synthesis of Trifluoromethylated γ-Amino Esters/Lactones via Umpolung Strategy.","The Journal of organic chemistry","2019","84","2","994","1005","10.1021/acs.joc.8b02893","","","1.5418","CuKα","","0.0243","0.0236","","0.0623","0.0617","0.0623","","","","","","0.9971","","","","has coordinates,has disorder","227377","2020-10-21","18:00:00",""
"4036004","11.9497","0.0011","12.5259","0.0011","18.539","0.002","85.427","0.009","86.549","0.009","62.251","0.009","2447.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 O9 S3 -","- C48 H54 O9 S3 -","- C96 H108 O18 S6 -","2","1","","Perretti, Marcelle D.; Pérez-Márquez, Lidia A; García-Rodríguez, Raúl; Carrillo, Romen","Building Covalent Molecular Capsules by Thiol-Michael Addition Click Reaction.","The Journal of organic chemistry","2019","84","2","840","850","10.1021/acs.joc.8b02677","","","1.54184","CuKα","","0.1417","0.0657","","","0.1107","0.1428","","","","","","0.963","","","","has coordinates","227378","2020-10-21","18:00:00",""
"4036005","14.1404","0.0002","22.9172","0.0003","14.4095","0.0002","90","","109.755","0.002","90","","4394.7","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 Cl O12 S3 -","- C39.5 H57 Cl O12 S3 -","- C158 H228 Cl4 O48 S12 -","4","2","","Perretti, Marcelle D.; Pérez-Márquez, Lidia A; García-Rodríguez, Raúl; Carrillo, Romen","Building Covalent Molecular Capsules by Thiol-Michael Addition Click Reaction.","The Journal of organic chemistry","2019","84","2","840","850","10.1021/acs.joc.8b02677","","x-ray","1.54184","CuKα","","0.0618","0.0591","","","0.1735","0.1793","","","","","","1.028","","","","has coordinates","227379","2020-10-21","18:00:00",""
"4036006","3.8905","0.0005","20.385","0.002","12.7499","0.0011","90","","90.055","0.009","90","","1011.17","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C36 H40 N8 O20 -","4","1","","Wan, Yameng; Zhang, Zhiguo; Ma, Nana; Bi, Jingjing; Zhang, Guisheng","Acylamino-Directed Specific Sequential Difunctionalizations of Anilides via Metal-Free Relay Reactions for p-Oxygen and o-Nitrogen Incorporation.","The Journal of organic chemistry","2019","84","2","780","791","10.1021/acs.joc.8b02636","","x-ray","1.54184","CuKα","","0.0895","0.0575","","","0.1401","0.1687","","","","","","1.042","","","","has coordinates","227380","2020-10-21","18:00:00",""
"4036007","4.6612","0.0006","8.2732","0.0009","15.4139","0.0018","81.641","0.009","82.204","0.01","80.603","0.01","576.37","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 F3 N2 O4 -","- C10 H9 F3 N2 O4 -","- C20 H18 F6 N4 O8 -","2","1","","Wan, Yameng; Zhang, Zhiguo; Ma, Nana; Bi, Jingjing; Zhang, Guisheng","Acylamino-Directed Specific Sequential Difunctionalizations of Anilides via Metal-Free Relay Reactions for p-Oxygen and o-Nitrogen Incorporation.","The Journal of organic chemistry","2019","84","2","780","791","10.1021/acs.joc.8b02636","","x-ray","1.54184","CuKα","","0.0752","0.0503","","","0.132","0.1524","","","","","","1.015","","","","has coordinates,has disorder","227381","2020-10-21","18:00:00",""
"4036008","6.3754","0.0003","19.036","0.0009","10.9599","0.0006","90","","102.276","0.0012","90","","1299.7","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H26 Br2 O5 -","- C30 H26 Br2 O5 -","- C60 H52 Br4 O10 -","2","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","0.71073","MoKα","","0.0386","0.0329","","","0.0803","0.083","","","","","","1.039","","","","has coordinates","227382","2020-10-21","18:00:00",""
"4036009","6.4222","0.0004","15.4984","0.001","22.8","0.0015","90","","90","","90","","2269.4","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C116 H104 O16 -","4","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","1.54178","CuKα","","0.0347","0.0332","","","0.0828","0.0841","","","","","","1.067","","","","has coordinates","227383","2020-10-21","18:00:00",""
"4036010","10.6835","0.0005","12.3208","0.0005","15.947","0.0007","90","","90","","90","","2099.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N2 O4 -","- C23 H21 Cl N2 O4 -","- C92 H84 Cl4 N8 O16 -","4","1","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0571","0.0418","","","0.0997","0.1097","","","","","","1.028","","","","has coordinates","227384","2020-10-21","18:00:00",""
"4036011","9.748","0.0008","25.918","0.002","10.3862","0.0007","90","","100.71","0.002","90","","2578.3","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C112 H112 N8 O20 S4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0841","0.0572","","","0.138","0.1583","","","","","","1.05","","","","has coordinates","227385","2020-10-21","18:00:00",""
"4036012","8.3716","0.0004","50.033","0.003","8.3726","0.0004","90","","107.899","0.001","90","","3337.2","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H40 N2 O5 S Si -","- C33 H40 N2 O5 S Si -","- C132 H160 N8 O20 S4 Si4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0716","0.0514","","","0.1171","0.1321","","","","","","1.022","","","","has coordinates","227386","2020-10-21","18:00:00",""
"4036013","11.6358","0.0011","15.0363","0.0015","7.9048","0.0007","90","","99.872","0.009","90","","1362.5","0.2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 -","- C14 H16 N6 -","- C56 H64 N24 -","4","1","","Zhang, Li-Yu; Zhang, Chen; Wang, Tao; Shi, Yu-Long; Ban, Meng-Tao; Cui, Dong-Mei","Copper-Catalyzed Tandem Reactions of 2-Amine-[1,3,5]triazines with Nitriles.","The Journal of organic chemistry","2019","84","2","536","543","10.1021/acs.joc.8b02150","","","0.71073","MoKα","","0.0674","0.0452","","","0.1046","0.1214","","","","","","1.022","","","","has coordinates","227387","2020-10-21","18:00:00",""
"4036014","17.1899","0.0009","16.7466","0.001","8.1097","0.0005","90","","91.91","0.002","90","","2333.3","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","1","","Weber, J.; Clennan, E. L.","Origin of the Preferential Formation of Helicenes in Mallory Photocyclizations. Temperature as a Tool to Influence Reaction Regiochemistry.","The Journal of organic chemistry","2019","84","2","817","830","10.1021/acs.joc.8b02671","","","0.71073","MoKα","","0.1244","0.0579","","","0.1167","0.1492","","","","","","1.008","","","","has coordinates","227388","2020-10-21","18:00:00",""
"4036015","6.9595","0.0006","10.7062","0.0009","11.3837","0.001","90","","90","","90","","848.2","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0301","0.0289","","","0.0795","0.0805","","","","","","1.108","","","","has coordinates","227389","2020-10-21","18:00:00",""
"4036016","6.7672","0.0002","11.7433","0.0004","7.7423","0.0003","90","","112.125","0.002","90","","569.97","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0417","0.0381","","","0.0949","0.1027","","","","","","1.068","","","","has coordinates","227390","2020-10-21","18:00:00",""
"4036017","7.153","0.005","13.527","0.005","19.62","0.005","90","","109.92","0.015","90","","1784.8","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","1","","Zhou, Meng; Li, Jinlei; Tian, Chao; Sun, Xiao; Zhu, Xiaoting; Cheng, Yaohang; An, Guanghui; Li, Guangming","A Metal-Free Three-Component Reaction of trans-β-Nitrostyrene Derivatives, Dibromo Amides, and Amines Leading to Functionalized Amidines.","The Journal of organic chemistry","2019","84","2","1015","1024","10.1021/acs.joc.8b02998","","","0.71069","MoKα","","0.0794","0.0589","","","0.1418","0.1595","","","","","","1.044","","","","has coordinates","227391","2020-10-21","18:00:00",""
"4036018","6.5131","","8.2925","","21.2429","","99.9811","","90.1718","","90.1879","","1129.95","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","2","","Thapa, Pawan; Corral, Esai; Sardar, Sinjinee; Pierce, Brad S.; Foss, Jr, Frank W","Isoindolinone Synthesis: Selective Dioxane-Mediated Aerobic Oxidation of Isoindolines.","The Journal of organic chemistry","2019","84","2","1025","1034","10.1021/acs.joc.8b01920","","x-ray","0.71073","MoKα","","0.069","0.069","","","0.0465","0.0465","","","","1.47","1.47","1.47","","","","has coordinates","227392","2020-10-21","18:00:00",""
"4036019","10.2358","0.0007","8.6625","0.0006","12.4764","0.001","90","","90.477","0.002","90","","1106.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O8 -","- C17 H33 N3 O8 -","- C34 H66 N6 O16 -","2","1","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","0.71073","MoKα","","0.0487","0.0392","","","0.0866","0.0908","","","","","","1.042","","","","has coordinates","227393","2020-10-21","18:00:00",""
"4036020","9.6845","0.0002","11.1866","0.0002","20.2699","0.0005","90","","90","","90","","2195.97","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C72 H136 N8 O48 -","8","2","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","1.54178","CuKα","","0.0241","0.0234","","","0.06","0.0604","","","","","","1.089","","","","has coordinates","227394","2020-10-21","18:00:00",""
"4036021","9.846","0.002","12.222","0.002","13.29","0.003","67.89","0.03","69.42","0.03","84.54","0.03","1385.9","0.6","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl3 N2 O7 S2 -","- C26 H25 Cl3 N2 O7 S2 -","- C52 H50 Cl6 N4 O14 S4 -","2","1","","Shi, Wangyu; Zhou, Leijie; Mao, Biming; Wang, Qijun; Wang, Chang; Zhang, Cheng; Li, Xuefeng; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed [3+2] Annulation of β-Sulfonamido-Substituted Enones with Sulfamate-Derived Cyclic Imines.","The Journal of organic chemistry","2019","84","2","679","686","10.1021/acs.joc.8b02515","","","0.71073","MoKα","","0.0743","0.067","","","0.1558","0.1609","","","","","","1.095","","","","has coordinates","227395","2020-10-21","18:00:00",""
"4036022","6.1209","0.0005","8.3258","0.0006","19.4643","0.0015","85.484","0.002","84.662","0.002","80.436","0.002","971.87","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 Cl O6 -","- C18 H25 Cl O6 -","- C36 H50 Cl2 O12 -","2","1","","Singh, Kuldeep; Bera, Tishyasoumya; Jaiswal, Vandana; Biswas, Subrata; Mondal, Biplab; Das, Dinabandhu; Saha, Jaideep","Lewis Acid Catalyzed Nucleophilic Ring Opening and 1,3-Bisfunctionalization of Donor-Acceptor Cyclopropanes with Hydroperoxides: Access to Highly Functionalized Peroxy/(α-Heteroatom Substituted)Peroxy Compounds.","The Journal of organic chemistry","2019","84","2","710","725","10.1021/acs.joc.8b02561","","","0.71073","MoKα","","0.0469","0.0375","","","0.096","0.102","","","","","","1.029","","","","has coordinates","227396","2020-10-21","18:00:00",""
"4036023","5.6579","0.0001","21.719","0.0005","14.8462","0.0003","90","","90.302","0.002","90","","1824.33","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl O3 S -","- C21 H17 Cl O3 S -","- C84 H68 Cl4 O12 S4 -","4","1","","Waiba, Satyadeep; Barman, Milan K.; Maji, Biplab","Manganese-Catalyzed Acceptorless Dehydrogenative Coupling of Alcohols With Sulfones: A Tool To Access Highly Substituted Vinyl Sulfones.","The Journal of organic chemistry","2019","84","2","973","982","10.1021/acs.joc.8b02911","","x-ray","0.71073","MoKα","","0.0443","0.0357","","","0.0822","0.087","","","","","","1.063","","","","has coordinates","227397","2020-10-21","18:00:00",""
"4036024","10.044","0.003","12.223","0.003","12.45","0.003","81.343","0.007","71.583","0.007","66.01","0.007","1324.5","0.6","238","2","238","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O4 -","- C34 H30 O4 -","- C68 H60 O8 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0625","0.0447","","","0.0961","0.1065","","","","","","1.04","","","","has coordinates","227398","2020-10-21","18:00:00",""
"4036025","9.4052","0.0004","12.5506","0.0005","16.5291","0.0007","80.422","0.001","80.65","0.001","89.993","0.001","1897.62","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 Br2 N2 -","- C42 H30 Br2 N2 -","- C84 H60 Br4 N4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0526","0.0374","","","0.0906","0.0971","","","","","","1.082","","","","has coordinates","227399","2020-10-21","18:00:00",""
"4036026","7.0575","0.0005","10.2773","0.0008","22.134","0.002","88.791","0.003","88.61","0.003","81.318","0.002","1586.3","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C86 H64 N4 O4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0836","0.054","","","0.1117","0.1279","","","","","","1.052","","","","has coordinates,has disorder","227400","2020-10-21","18:00:00",""
"4036027","11.134","0.002","12.176","0.003","13.759","0.003","83.142","0.007","77.79","0.007","67.611","0.008","1684.1","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H36 N2 O2 -","- C45 H36 N2 O2 -","- C90 H72 N4 O4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.1791","0.0681","","","0.1581","0.2229","","","","","","0.947","","","","has coordinates","227401","2020-10-21","18:00:00",""
"4036028","9.1373","0.0013","18.993","0.003","18.606","0.002","90","","100.289","0.004","90","","3177","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 N2 -","- C41 H30 N2 -","- C164 H120 N8 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.1142","0.0601","","","0.131","0.1498","","","","","","1.017","","","","has coordinates","227402","2020-10-21","18:00:00",""
"4036029","11.7219","0.0003","11.6068","0.0003","7.8791","0.0002","90","","108.63","0.0016","90","","1015.81","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Grandane, Aiga; Longwitz, Lars; Roolf, Catrin; Spannenberg, Anke; Murua Escobar, Hugo; Junghanss, Christian; Suna, Edgars; Werner, Thomas","Intramolecular Base-Free Catalytic Wittig Reaction: Synthesis of Benzoxepinones.","The Journal of organic chemistry","2019","84","3","1320","1329","10.1021/acs.joc.8b02789","","","1.54178","CuKα","","0.0411","0.036","","","0.0932","0.099","","","","","","1.07","","","","has coordinates","227403","2020-10-21","18:00:00",""
"4036030","3.7834","0.0003","9.5523","0.0006","10.0933","0.0007","80.562","0.002","80.636","0.002","80.13","0.002","351.09","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N2 O3 -","- C7 H6 N2 O3 -","- C14 H12 N4 O6 -","2","1","","Rizzo, Antonio; Mayer, Robert J.; Trauner, Dirk","Biomimetic Approach Toward Enterocin and Deoxyenterocin.","The Journal of organic chemistry","2019","84","3","1162","1175","10.1021/acs.joc.8b02273","","","0.71073","MoKα","","0.0409","0.032","","","0.086","0.0902","","","","","","1.083","","","","has coordinates","227404","2020-10-21","18:00:00",""
"4036031","13.98976","0.00019","20.6879","0.0003","34.2198","0.0004","88.085","0.001","82.746","0.001","82.76","0.001","9744.7","0.2","99.96","0.17","99.96","0.17","","","","","","","","3","P -1","-P 1","2","","","","- C188 H212 N8 -","- C188 H212 N8 -","- C376 H424 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.0797","0.0687","","","0.1812","0.1895","","","","","","1.026","","","","has coordinates,has disorder","227405","2020-10-21","18:00:00",""
"4036032","13.707","0.0005","30.1449","0.0013","33.1513","0.0013","102.076","0.003","95.259","0.003","100.812","0.003","13034.3","0.9","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C309 H332 N12 Ni3 -","- C309 H332 N12 Ni3 -","- C618 H664 N24 Ni6 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.1655","0.1133","","","0.2996","0.354","","","","","","1.145","","","","has coordinates,has disorder","227406","2020-10-21","18:00:00",""
"4036033","21.1919","0.0007","21.4423","0.0008","24.3801","0.0012","64.385","0.004","66.879","0.004","89.485","0.003","9012.9","0.8","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C172.61 H190.31 N8 -","- C172.598 H190.299 N8 -","- C345.196 H380.597 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.123","0.0901","","","0.2212","0.2472","","","","","","1.041","","","","has coordinates,has disorder","227407","2020-10-21","18:00:00",""
"4036034","12.5978","0.0015","17.972","0.002","43.321","0.005","98.672","0.01","93.842","0.009","105.443","0.011","9287","2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C221 H245 N8 -","- C221 H245 N8 -","- C442 H490 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.1971","0.1299","","","0.3234","0.3778","","","","","","1.222","","","","has coordinates,has disorder","227408","2020-10-21","18:00:00",""
"4036035","7.2833","0.0002","12.8375","0.0003","12.4934","0.0009","90","","90","","90","","1168.12","0.09","123","","123","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Sako, Makoto; Aoki, Takanori; Zumbrägel, Nadine; Schober, Lukas; Gröger, Harald; Takizawa, Shinobu; Sasai, Hiroaki","Chiral Dinuclear Vanadium Complex-Mediated Oxidative Coupling of Resorcinols.","The Journal of organic chemistry","2019","84","3","1580","1587","10.1021/acs.joc.8b02494","","","1.54187","CuKα","","0.0592","0.0576","","","0.1565","0.1575","","","","","","1.137","","","","has coordinates","227409","2020-10-21","18:00:00",""
"4036036","4.641","0.00013","13.2241","0.0003","27.002","0.0007","90","","90","","90","","1657.2","0.07","293","2","293","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Yokoyama, Soichi; Nishiwaki, Nagatoshi","Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State.","The Journal of organic chemistry","2019","84","3","1192","1200","10.1021/acs.joc.8b02517","","x-ray","1.54184","CuKα","","0.0434","0.041","","","0.1066","0.1091","","","","","","1.06","","","","has coordinates","227410","2020-10-21","18:00:00",""
"4036037","14.4693","0.0003","12.8715","0.0002","9.0715","0.0002","90","","99.139","0.002","90","","1668.04","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Yokoyama, Soichi; Nishiwaki, Nagatoshi","Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State.","The Journal of organic chemistry","2019","84","3","1192","1200","10.1021/acs.joc.8b02517","","x-ray","1.54184","CuKα","","0.0416","0.038","","","0.101","0.1039","","","","","","1.054","","","","has coordinates","227411","2020-10-21","18:00:00",""
"4036038","21.8886","0.0012","5.9177","0.0003","22.4643","0.0012","90","","106.375","0.002","90","","2791.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N4 O8 -","- C24 H42 N4 O8 -","- C96 H168 N16 O32 -","4","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","0.71073","MoKα","","0.0702","0.0477","","","0.0991","0.109","","","","","","1.02","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036039","22.8427","0.0009","6.4349","0.0003","16.7283","0.0007","90","","116.778","0.001","90","","2195.21","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 F3 N O4 S -","- C8 H12 F3 N O4 S -","- C64 H96 F24 N8 O32 S8 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.0291","0.0288","","","0.0714","0.0717","","","","","","1.063","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036040","6.3322","0.0004","16.0598","0.0008","13.7532","0.0007","90","","98.378","0.004","90","","1383.69","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C52 H84 N4 O16 -","4","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.1068","0.075","","","0.1332","0.1443","","","","","","1.085","","","","has coordinates,has disorder","227412","2020-10-21","18:00:00",""
"4036041","10.2399","0.0003","6.5669","0.0002","11.6218","0.0003","90","","106.022","0.001","90","","751.14","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C28 H48 N4 O12 -","2","0.5","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.0352","0.0322","","","0.0802","0.0828","","","","","","1.072","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036042","6.639","0.003","8.413","0.003","36.816","0.016","90","","90.173","0.01","90","","2056.3","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.1099","0.062","","","0.1167","0.1467","","","","","","0.973","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036043","14.9637","0.0005","11.3042","0.0004","21.2771","0.0009","90","","110.436","0.001","90","","3372.6","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C136 H192 N16 O24 -","8","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","1.54178","CuKα","","0.0551","0.055","","","0.2125","0.2128","","","","","","2.07","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036044","6.8272","0.0003","8.0949","0.0003","42.0284","0.0015","90.029","0.002","89.977","0.002","90.011","0.002","2322.72","0.16","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","4","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","1.54178","CuKα","","0.1127","0.0664","","","0.1056","0.1181","","","","","","1.263","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036045","6.696","0.002","13.783","0.004","10.694","0.004","90","","102.69","0.008","90","","962.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C40 H60 N4 O6 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0798","0.0599","","","0.147","0.1601","","","","","","1.026","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036046","28.9","0.04","10.508","0.013","13.397","0.017","90","","106.42","0.03","90","","3902","9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H29 N2 O3 -","- C20 H29 N2 O3 -","- C160 H232 N16 O24 -","8","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.3844","0.1511","","","0.3044","0.3809","","","","","","1.265","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036047","6.8063","0.0018","13.002","0.004","13.629","0.004","110.694","0.006","92.523","0.007","99.327","0.007","1106.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N3 O3 -","- C22 H30 N3 O3 -","- C44 H60 N6 O6 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.2859","0.0841","","","0.1747","0.2362","","","","","","1.017","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036048","6.7044","0.001","28.659","0.004","11.4082","0.0018","90","","91.966","0.009","90","","2190.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O3 -","- C25 H29 N3 O3 -","- C100 H116 N12 O12 -","4","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","1.54178","CuKα","","0.1014","0.0712","","","0.1771","0.1965","","","","","","1.09","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036049","12.367","0.005","16.811","0.007","19.201","0.008","90","","90","","90","","3992","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0749","0.0407","","","0.1008","0.1175","","","","","","0.665","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036050","6.5787","0.0011","9.2449","0.0014","14.324","0.002","75.8","0.003","77.982","0.004","81.933","0.004","822.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C40 H42 N6 O2 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0607","0.0523","","","0.1857","0.1965","","","","","","1.563","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036051","6.9007","0.0011","25.211","0.004","13.042","0.002","90","","101.886","0.004","90","","2220.3","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0419","0.0361","","","0.0975","0.1037","","","","","","0.761","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036052","6.6014","0.0015","9.469","0.002","35.287","0.008","93.454","0.005","93.826","0.005","98.649","0.005","2170.3","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Cl6 N5 O4 -","- C41 H44 Cl6 N5 O4 -","- C82 H88 Cl12 N10 O8 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.1283","0.0913","","","0.2631","0.3006","","","","","","0.781","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036053","21.0773","0.0014","6.9231","0.0005","16.9633","0.0011","90","","101.741","0.002","90","","2423.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RCG-0193a-2","","","- C28 H30.28 N4 O0.14 -","- C28 H30.2812 N4 O0.1406 -","- C112 H121.125 N16 O0.5624 -","4","1","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0648","0.042","","","0.1","0.111","","","","","","1.023","","","","has coordinates","227732","2020-10-21","18:00:00",""
"4036054","10.4305","0.0007","8.805","0.0006","17.1263","0.0011","90","","100.262","0.002","90","","1547.73","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","RCG-0191a-6","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0627","0.0407","","","0.0878","0.0974","","","","","","1.03","","","","has coordinates","227733","2020-10-21","18:00:00",""
"4036055","10.4169","0.0005","9.4055","0.0005","14.6021","0.0008","90","","109.178","0.0017","90","","1351.26","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RCG-0192b","","","- C32 H36 N4 O2 -","- C32.0072 H36.0156 N4 O2 -","- C64.0144 H72.0312 N8 O4 -","2","0.5","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0668","0.0441","","","0.1134","0.1277","","","","","","1.029","","","","has coordinates,has disorder","227734","2020-10-21","18:00:00",""
"4036056","26.0163","0.0018","26.0163","0.0018","6.8761","0.0005","90","","90","","120","","4030.5","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","RCG-0191b","","","- C20.67 H14 N4 O2.33 S0.33 -","- C20.6668 H14.0004 N4 O2.3334 S0.3334 -","- C186.001 H126.004 N36 O21.0006 S3.0006 -","9","0.5","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0991","0.0783","","","0.2313","0.2553","","","","","","1.07","","","","has coordinates,has disorder","227735","2020-10-21","18:00:00",""
"4036057","4.6765","0.0002","8.8636","0.0004","16.2126","0.0008","94.8546","0.0018","96.969","0.0018","97.109","0.002","658.53","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","RCG0192a-1","","","- C32 H38 N4 -","- C32 H38 N4 -","- C32 H38 N4 -","1","0.5","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0704","0.0455","","","0.1073","0.1197","","","","","","1.006","","","","has coordinates","227736","2020-10-21","18:00:00",""
"4036058","16.5439","0.0005","12.7585","0.0005","13.4093","0.0005","90","","101.515","0.003","90","","2773.4","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 O0 S -","- C12 H18 N4 S -","- C96 H144 N32 S8 -","8","1","","Guo, Wei; Zhao, Mingming; Chengtang, Du; Zheng, Lvyin; Li, Luo; Chen, Liping; Tao, Kailiang; Tan, Wen; Xie, Zhen; Cai, Liuhuan; Fan, XiaoLin; Zhang, Kai","Visible-light-Catalyzed [3 + 1 + 2] Coupling Annulations for the Synthesis of Unsymmetrical Tri-substituted Amino-1,3,5-triazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02514","","x-ray","0.71073","MoKα","","0.044","0.0391","","","0.1","0.1025","","","","","","1.068","","","","has coordinates","227843","2020-10-21","18:00:00",""
"4036059","16.55068","0.0001","26.78093","0.00017","7.26499","0.00005","90","","90","","90","","3220.15","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C18 H19 N5 O -","- C18 H19 N5 O -","- C144 H152 N40 O8 -","8","1","","Guo, Wei; Zhao, Mingming; Chengtang, Du; Zheng, Lvyin; Li, Luo; Chen, Liping; Tao, Kailiang; Tan, Wen; Xie, Zhen; Cai, Liuhuan; Fan, XiaoLin; Zhang, Kai","Visible-light-Catalyzed [3 + 1 + 2] Coupling Annulations for the Synthesis of Unsymmetrical Tri-substituted Amino-1,3,5-triazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02514","","x-ray","1.54184","CuKα","","0.0384","0.0382","","","0.0922","0.0927","","","","","","1.073","","","","has coordinates","227844","2020-10-21","18:00:00",""
"4036060","11.7852","0.0008","7.4546","0.0005","13.3425","0.0008","90","","100.496","0.006","90","","1152.58","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F3 N2 O -","- C12 H8 F3 N O2 -","- C48 H32 F12 N4 O8 -","4","1","","Wang, Junwen; Chen, Shouxiong; Wu, Wei; Wen, Shunli; Weng, Zhiqiang","Base-Mediated Tunable Synthesis of 2-Trifluoromethylated Furans and Dihydrofuranols: Extraordinary Stable in Sulfuric Acid.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02326","","x-ray","1.54184","CuKα","","0.0511","0.0387","","","0.0966","0.1066","","","","","","1.038","","","","has coordinates","227845","2020-10-21","18:00:00",""
"4036061","10.011","0.0004","11.0449","0.0005","13.0896","0.0005","110.209","0.004","90.334","0.004","109.03","0.004","1272.5","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H7 Cl F3 N O2 -","- C12 H7 Cl F3 N O2 -","- C48 H28 Cl4 F12 N4 O8 -","4","2","","Wang, Junwen; Chen, Shouxiong; Wu, Wei; Wen, Shunli; Weng, Zhiqiang","Base-Mediated Tunable Synthesis of 2-Trifluoromethylated Furans and Dihydrofuranols: Extraordinary Stable in Sulfuric Acid.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02326","","","0.71073","MoKα","","0.1284","0.0621","","","0.1894","0.2401","","","","","","1.021","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036062","11.0213","0.0016","8.5573","0.0013","25.048","0.004","90","","98.823","0.003","90","","2334.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 N O2 -","- C12 H8 F3 N O2 -","- C96 H64 F24 N8 O16 -","8","2","","Wang, Junwen; Chen, Shouxiong; Wu, Wei; Wen, Shunli; Weng, Zhiqiang","Base-Mediated Tunable Synthesis of 2-Trifluoromethylated Furans and Dihydrofuranols: Extraordinary Stable in Sulfuric Acid.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02326","","","0.71073","MoKα","","0.1159","0.0623","","","0.1427","0.1754","","","","","","1.072","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036063","11.2458","0.0012","7.3541","0.0006","18.913","0.002","90","","105.066","0.012","90","","1510.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N5 O2 S -","- C14 H15 N5 O2 S -","- C56 H60 N20 O8 S4 -","4","1","","Lyapustin, Daniil N.; Ulomsky, Evgeny N.; Zanakhov, Timur O.; Rusinov, Vladimir L.","Three-Component Coupling of Aromatic Aldehydes, 1-Morpholino-2-nitroalkenes, and 3-Aminoazoles via Boron Trifluoride Etherate Catalysis: Reaction Pathway and Features of the Formation of Intermediates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02286","","","0.71073","MoKα","","0.1271","0.0616","","","0.1561","0.2158","","","","","","1.001","","","","has coordinates","227848","2020-10-21","18:00:00",""
"4036064","10.389","0.0003","18.7746","0.0006","10.6297","0.0003","90","","113.397","0.001","90","","1902.84","0.1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Du, Yachu; Wang, Lichang; Plunkett, Kyle N.","1,1'-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02118","","","0.71073","MoKα","","0.0532","0.0399","","","0.0951","0.103","","","","","","1.042","","","","has coordinates","227849","2020-10-21","18:00:00",""
"4036065","13.7602","0.0001","13.8078","0.0002","16.1032","0.0002","65.362","0.001","78.621","0.001","61.072","0.001","2434","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H49 Cl N4 O4 -","- C55 H49 Cl N4 O4 -","- C110 H98 Cl2 N8 O8 -","2","1","","Niu, Li; Pi, Rou; Dong, Suzhen; Liu, Shunying","Aromatic C-H Bond Functionalized via Zwitterion Intermediates to Construct Bioxindole Containing Continuous Quaternary Carbons.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02228","","x-ray","1.54184","CuKα","","0.0523","0.0488","","","0.1471","0.1504","","","","","","1.073","","","","has coordinates","227850","2020-10-21","18:00:00",""
"4036066","8.4719","0.0002","11.2069","0.0003","9.3465","0.0003","90","","92.107","0.001","90","","886.79","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C36 H34 I2 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0507","0.0476","","","0.1195","0.1231","","","","","","1.065","","","","has coordinates","227917","2020-10-21","18:00:00",""
"4036067","7.8514","0.0004","11.5391","0.0006","27.4981","0.0012","90","","90","","90","","2491.3","0.2","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 I N3 O7 S -","- C23 H24 I N3 O7 S -","- C92 H96 I4 N12 O28 S4 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0555","0.0431","","","0.1035","0.1122","","","","","","1.059","","","","has coordinates","227918","2020-10-21","18:00:00",""
"4036068","10.4928","0.0003","10.9595","0.0003","18.3029","0.0006","73.12","0.002","78.857","0.002","64.829","0.002","1816.9","0.1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C72 H68 I4 N8 O20 -","4","4","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0733","0.0493","","","0.0951","0.107","","","","","","1.062","","","","has coordinates","227919","2020-10-21","18:00:00",""
"4036069","9.4104","0.0006","13.139","0.0008","14.3976","0.0009","90","","90","","90","","1780.17","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C72 H68 I4 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0333","0.0319","","","0.0813","0.0827","","","","","","1.069","","","","has coordinates","227920","2020-10-21","18:00:00",""
"4036070","20.3654","0.0007","10.686","0.0004","18.0155","0.0007","90","","91.228","0.002","90","","3919.7","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H19 I N3 O7.5 S -","- C16 H19 I N3 O7.5 S -","- C128 H152 I8 N24 O60 S8 -","8","2","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.046","0.039","","","0.0818","0.0861","","","","","","1.056","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036071","6.556","0.0004","12.1153","0.0008","9.5191","0.0007","90","","93.513","0.003","90","","754.66","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O -","- C20 H28 O -","- C40 H56 O2 -","2","1","","Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.","Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02293","","","0.71073","MoKα","","0.0745","0.0622","","","0.1694","0.1838","","","","","","1.4","","","","has coordinates","227922","2020-10-21","18:00:00",""
"4036072","15.4691","0.0004","30.463","0.0008","6.74","0.0002","90","","90","","90","","3176.13","0.15","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 O -","- C20 H28 O -","- C160 H224 O8 -","8","2","","Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.","Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02293","","","1.54178","CuKα","","0.0736","0.0529","","","0.1149","0.1261","","","","","","1.013","","","","has coordinates","227923","2020-10-21","18:00:00",""
"4036073","11.8379","0.0005","14.0015","0.0006","12.0981","0.0006","90","","106.742","0.003","90","","1920.24","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 I N O3 -","- C20 H16 I N O3 -","- C80 H64 I4 N4 O12 -","4","2","","Donthoju, Ashok; Magham, Lakshmi Revati; Singh, Neetu; Manjula, Nemali; Chegondi, Rambabu","Enantioselective Desymmetrization of Prochiral Cyclopentene-1,3-diones Triggered by Remote C(sp2)-N Bond Formation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02411","","","0.71073","MoKα","","0.062","0.0449","","","0.1201","0.1328","","","","","","0.929","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036074","10.8715","0.0008","12.1969","0.0009","12.8986","0.0009","108.743","0.002","92.547","0.002","106.776","0.002","1532.85","0.19","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C35.64 H28.28 Cl3.28 N3 -","- C35.639 H28.278 Cl3.278 N3 -","- C71.278 H56.556 Cl6.556 N6 -","2","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","0.71073","MoKα","","0.081","0.049","","","0.1255","0.1407","","","","","","1.045","","","","has coordinates","231004","2020-10-21","18:00:00",""
"4036075","16.6654","0.0014","9.3763","0.0008","17.4986","0.0014","90","","91.473","0.005","90","","2733.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 N3 -","- C37 H31 N3 -","- C148 H124 N12 -","4","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","0.71073","MoKα","","0.1099","0.058","","","0.1094","0.1237","","","","","","1.038","","","","has coordinates","231005","2020-10-21","18:00:00",""
"4036076","15.0683","0.0005","7.4793","0.0002","21.6678","0.0008","90","","94.396","0.001","90","","2434.78","0.14","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N3 S -","- C34 H25 N3 S -","- C136 H100 N12 S4 -","4","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","0.71073","MoKα","","0.0885","0.0549","","","0.129","0.1464","","","","","","1.027","","","","has coordinates","231006","2020-10-21","18:00:00",""
"4036077","15.4397","0.0007","9.2509","0.0005","17.4181","0.0007","90","","99.141","0.003","90","","2456.3","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N3 O -","- C34 H25 N3 O -","- C136 H100 N12 O4 -","4","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","1.54178","CuKα","","0.0545","0.0407","","","0.1003","0.1102","","","","","","1.044","","","","has coordinates","231007","2020-10-21","18:00:00",""
"4036078","7.2656","0.0006","7.5496","0.0006","15.542","0.0013","102.357","0.003","96.219","0.003","101.241","0.003","806.71","0.12","297","2","296.96","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C38 H30 N6 O6 -","2","1","","Chen, Chen; Wei, Ran; Yi, Xing; Gao, Li; Zhang, Min; Liu, Han; Li, Qingshan; Song, Heng; Ban, Shurong","Diastereo- and enantioselective synthesis of functionalized cyclopentenes containing quaternary chiral center via thiosquaramide-catalyzed cascade Michael/Henry reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02176","","","0.71073","MoKα","","0.0517","0.0408","","","0.1002","0.1073","","","","","","1.072","","","","has coordinates","231008","2020-10-21","18:00:00",""
"4036079","17.90301","0.00018","7.47461","0.00009","11.71091","0.00012","90","","98.6865","0.001","90","","1549.15","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Liu, Fen; Tian, Hai-Yan; Huang, Xiao-Lin; Wang, Wen-Jing; Li, Ni-Ping; He, Jun; Ye, Wen-Cai; Wang, Lei","Xanthchrysones A-C: Rearranged Phenylpropanoyl-Phloroglucinol Dimers with Unusual Skeletons from Xanthostemon chrysanthus.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02373","","x-ray","1.54184","CuKα","","0.0447","0.044","","","0.153","0.1538","","","","","","1.7373","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036080","35.1338","0.0016","24.4548","0.0009","8.3344","0.0002","90","","91.754","0.004","90","","7157.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O10 -","- C34 H32 O10 -","- C272 H256 O80 -","8","2","","Liu, Fen; Tian, Hai-Yan; Huang, Xiao-Lin; Wang, Wen-Jing; Li, Ni-Ping; He, Jun; Ye, Wen-Cai; Wang, Lei","Xanthchrysones A-C: Rearranged Phenylpropanoyl-Phloroglucinol Dimers with Unusual Skeletons from Xanthostemon chrysanthus.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02373","","","1.54184","CuKα","","0.2713","0.2491","","","0.5237","0.5354","","","","","","1.062","","","","has coordinates","231010","2020-10-21","18:00:00",""
"4036081","12.89","0.002","10.577","0.002","12.0978","0.0018","90","","96.57","0.003","90","","1638.6","0.5","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 F3 N O3 S3 Si -","- C9 H18 F3 N O3 S3 Si -","- C36 H72 F12 N4 O12 S12 Si4 -","4","1","","Zemtsov, Artem A.; Ashirbaev, Salavat S.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Dilman, Alexander D.","Photoredox Reaction of 2-Mercaptothiazolinium Salts with Silyl Enol Ethers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02478","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.0872","0.0932","","","","","","1.024","","","","has coordinates","231011","2020-10-21","18:00:00",""
"4036082","13.3302","0.0006","7.7379","0.0004","18.5526","0.0009","90","","103.928","0.001","90","","1857.4","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","","Smirnov, Alexander Yu; Zaitseva, Elvira R.; Belozerova, Olga A.; Alekseyev, Roman S.; Baleeva, Nadezhda S.; Zagudaylova, Marina B.; Mikhaylov, Andrey A.; Baranov, Mikhail S.","Nitroacetic esters in the regioselective synthesis of isoxazole-3,5-dicarboxylic acids derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02427","","","0.71073","MoKα","","0.0495","0.0395","","","0.1221","0.1343","","","","","","1.004","","","","has coordinates","231012","2020-10-21","18:00:00",""
"4036083","40.1168","0.0011","13.5455","0.0004","15.0921","0.0005","90","","103.963","0.0013","90","","7958.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3a in manuscript","","","- C43 H52 N2 O Si2 -","- C43 H52 N2 O Si2 -","- C344 H416 N16 O8 Si16 -","8","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","0.71073","MoKα","","0.1183","0.0631","","","0.1484","0.1804","","","","","","1.033","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036084","12.0996","0.0004","15.1021","0.0007","23.5671","0.0008","90","","93.347","0.003","90","","4299.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3b in manuscript","","","- C47 H54 N2 O Si2 -","- C47 H54 N2 O Si2 -","- C188 H216 N8 O4 Si8 -","4","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.0881","0.0547","","","0.1284","0.1507","","","","","","1.023","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036085","8.0215","0.0007","20.4645","0.0018","28.066","0.002","85.137","0.007","82.512","0.007","81.462","0.007","4507.2","0.7","240","2","240","2","","","","","","","","5","P -1","-P 1","2","3c in manuscript","","","- C51 H56 N2 O Si2 -","- C51 H56 N2 O Si2 -","- C204 H224 N8 O4 Si8 -","4","2","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1534","0.0634","","","0.1207","0.1647","","","","","","1.011","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036086","18.0785","0.0005","32.5959","0.0009","7.7799","0.0002","90","","95.694","0.002","90","","4562","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3d in manuscript","","","- C49 H54 Cl3 N4 O Si2 -","- C49 H54 N4 O Si2 -","- C196 H216 N16 O4 Si8 -","4","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.0878","0.059","","","0.1504","0.1691","","","","","","1.015","","","","has coordinates","231013","2020-10-21","18:00:00",""
"4036087","16.1832","0.0009","9.6851","0.0005","26.6042","0.0017","90","","103.342","0.005","90","","4057.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3e in manuscript","","","- C43 H50 N4 O S Si2 -","- C43 H50 N4 O S Si2 -","- C172 H200 N16 O4 S4 Si8 -","4","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1549","0.0904","","","0.1721","0.2134","","","","","","1.172","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036088","37.3457","0.0009","37.3457","0.0009","8.156","0.0003","90","","90","","90","","11375.2","0.6","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","3f in manuscript","","","- C64 H70 N4 O2 Si2 -","- C64 H70 N4 O2 Si2 -","- C512 H560 N32 O16 Si16 -","8","0.5","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1169","0.0661","","","0.1595","0.1892","","","","","","1.018","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036089","34.619","0.004","12.3766","0.001","17.2734","0.0017","90","","105.698","0.008","90","","7125","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3g in manuscript","","","- C84 H86 N4 O2 Si2 -","- C84 H86 N4 O2 Si2 -","- C336 H344 N16 O8 Si8 -","4","0.5","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1885","0.0975","","","0.2377","0.3008","","","","","","1.022","","","","has coordinates","231013","2020-10-21","18:00:00",""
"4036090","9.9083","0.0004","15.1863","0.0006","19.203","0.0008","91.916","0.003","92.93","0.003","101.564","0.003","2824.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H164 Cl6 N2 O12 -","- C122 H164 Cl6 N2 O12 -","- C122 H164 Cl6 N2 O12 -","1","0.5","","Royakkers, Jeroen; Minotto, Alessandro; Congrave, Daniel G.; Zeng, Weixuan; Patel, Adil; Bond, Andrew D.; Bučar, Dejan-Krešimir; Cacialli, Franco; Bronstein, Hugo","Doubly Encapsulated Perylene Diimides: Effect of Molecular Encapsulation on Photophysical Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02597","","","1.54178","CuKα","","0.2857","0.1955","","","0.4227","0.4526","","","","","","2.158","","","","has coordinates,has disorder","231094","2020-10-21","18:00:00",""
"4036091","16.5071","0.0007","12.026","0.0005","47.761","0.002","90","","98.26","0.003","90","","9382.9","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H124 Cl6 N2 O12 -","- C98 H124 Cl6 N2 O12 -","- C392 H496 Cl24 N8 O48 -","4","1","","Royakkers, Jeroen; Minotto, Alessandro; Congrave, Daniel G.; Zeng, Weixuan; Patel, Adil; Bond, Andrew D.; Bučar, Dejan-Krešimir; Cacialli, Franco; Bronstein, Hugo","Doubly Encapsulated Perylene Diimides: Effect of Molecular Encapsulation on Photophysical Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02597","","","1.54178","CuKα","","0.2786","0.1678","","","0.4148","0.4726","","","","","","1.337","","","","has coordinates","231094","2020-10-21","18:00:00",""
"4036092","8.0934","0.0001","10.189","0.0001","27.8072","0.0002","90","","90","","90","","2293.08","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O5 S -","- C25 H30 N2 O5 S -","- C100 H120 N8 O20 S4 -","4","1","","Ao, Chaoqun; Yang, Xiaohan; Jia, Shikun; Xu, Xinfang; Yuan, Yanqiu; Zhang, Dan; Hu, Wenhao","Zinc-Catalyzed Alkyne-Carbonyl Metathesis of Ynamides with Isatins: Stereoselective Access to Fully Substituted Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02350","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0715","0.0718","","","","","","1.061","","","","has coordinates","231095","2020-10-21","18:00:00",""
"4036093","9.7408","0.0002","10.3272","0.0002","13.5807","0.0003","107.572","0.002","95.879","0.002","109.928","0.002","1191.86","0.05","99.97","0.1","99.97","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Ao, Chaoqun; Yang, Xiaohan; Jia, Shikun; Xu, Xinfang; Yuan, Yanqiu; Zhang, Dan; Hu, Wenhao","Zinc-Catalyzed Alkyne-Carbonyl Metathesis of Ynamides with Isatins: Stereoselective Access to Fully Substituted Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02350","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.085","0.0866","","","","","","1.043","","","","has coordinates","231096","2020-10-21","18:00:00",""
"4036094","11.2573","0.0007","11.2944","0.0007","12.1379","0.0007","72.109","0.002","72.801","0.002","63.066","0.001","1286.85","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O4 S3 -","- C27 H25 N O4 S3 -","- C54 H50 N2 O8 S6 -","2","1","","Iwasaki, Masayuki; Nonaka, Kosei; Zou, Song; Sawanaka, Yuta; Shinozaki, Takaaki; Fujii, Tomoya; Nakajima, Kiyohiko; Nishihara, Yasushi","Copper-Catalyzed Regioselective Aminothiolation of Aromatic and Aliphatic Alkenes with <i>N</i>-Fluorobenzenesulfonimide and Thiols through Three-Component Radical Coupling.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02392","","","0.71075","MoKα","","0.0717","0.0483","","","0.099","0.1084","","","","","","1.075","","","","has coordinates","231097","2020-10-21","18:00:00",""
"4036095","16.3207","0.0004","9.014","0.0002","17.5595","0.0004","90","","111.115","0.001","90","","2409.82","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N O3 S -","- C30 H23 N O3 S -","- C120 H92 N4 O12 S4 -","4","1","","Xie, Huan-Ping; Sun, Lei; Wu, Bo; Zhou, Yong-Gui","Copper-Catalyzed Alkynylation/Cyclization/Isomerization Cascade for Synthesis of 1,2-Dihydrobenzofuro[3,2-b]pyridines and Benzofuro[3,2-b]pyridines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02512","","","0.71073","MoKα","","0.0597","0.0444","","","0.1139","0.127","","","","","","1.028","","","","has coordinates","231098","2020-10-21","18:00:00",""
"4036096","8.148","0.006","8.347","0.004","14.363","0.011","90","","94.014","0.019","90","","974.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 S -","- C14 H9 S -","- C56 H36 S4 -","4","1","","Chow, Chi Hao Eugene; Phan, Hoa; Zhang, Xiaojie; Wu, Jishan","Sulfur-Doped (Dibenzo)heptazethrene and (Dibenzo)octazethrene Diradicaloids.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02796","","","1.54178","CuKα","","0.0471","0.0373","","","0.0793","0.0835","","","","","","1.063","","","","has coordinates","231178","2020-10-21","18:00:00",""
"4036097","3.9499","0.0004","15.0724","0.0018","23.358","0.003","90","","92.198","0.009","90","","1389.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Br2 F2 -","- C16 H8 Br2 F2 -","- C64 H32 Br8 F8 -","4","1","","Huang, Xiaoying; Chen, Hui; Huang, Zhongzhi; Xu, Yan-Li; Li, Fangyao; Ma, Xian-Li; Chen, Yan-Yan","Visible-light-induced difunctionalization of alkynes: The synthesis of thiazoles and 1,1-dibromo-1-en-3-ynes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02300","","x-ray","0.71073","MoKα","","0.089","0.0707","","","0.1327","0.1411","","","","","","1.086","","","","has coordinates","231179","2020-10-21","18:00:00",""
"4036098","7.7239","0.0002","21.0831","0.0007","23.9339","0.0009","90","","90","","90","","3897.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Bera, Tishyasoumya; Singh, Bandana; Hamlin, Trevor A.; Sahoo, Subash C.; Saha, Jaideep","One-Step Assembly of Functionalized Morpholinones and 1,4-Oxazepane-3-ones via [3+3]- and [3+4]-Annulation of Aza-oxyallyl Cation and Amphoteric Compounds.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02269","","x-ray","0.71073","MoKα","","0.1579","0.0807","","","0.1928","0.2399","","","","","","0.956","","","","has coordinates","231180","2020-10-21","18:00:00",""
"4036099","11.9336","0.0006","13.6523","0.0004","16.6906","0.0007","90","","109.019","0.005","90","","2570.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C112 H104 N8 O24 S4 -","4","1","","Wang, Yue; Jia, Siming; Li, Er-Qing; Duan, Zheng","Phosphine/Palladium Cooperative Catalysis: (4 + 3) Annulations of Morita-Baylis-Hillman Carbonates and Vinyl Benzoxazinanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02349","","x-ray","1.54184","CuKα","","0.0635","0.0459","","","0.1141","0.1261","","","","","","1.027","","","","has coordinates,has disorder","231181","2020-10-21","18:00:00",""
"4036100","14.1794","0.0006","7.3034","0.0003","12.8276","0.0004","90","","107.358","0.002","90","","1267.9","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","DBR108_a_a","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Anif Pasha, Mohammed; Krishna, A. Vamshi; Ashok, Etikala; Ramachary, Dhevalapally Buchi","Organocatalytic Reductive Propargylation: Scope and Applications.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02415","","x-ray","0.71073","MoKα","","0.0849","0.0484","","","0.1013","0.1129","","","","","","1.084","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036101","11.298","0.003","15.006","0.003","9.832","0.002","90","","100.36","0.004","90","","1639.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Br O -","- C23 H15 Br O -","- C92 H60 Br4 O4 -","4","1","","Hinkle, Robert James; Speer, Daniel John; Carnell, Brendon Baxter; Kanter, Bethany Lynch; Pike, Robert D.","Mild, Modular and Convergent Synthesis of Helical Naphtho[2,1-c]chromenes via a Multistep Cyclization/aromatization Cascade Sequence.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02058","","","0.71073","MoKα","","0.0236","0.0214","","","0.0579","0.0592","","","","","","1.067","","","","has coordinates","231846","2020-10-21","18:00:00",""
"4036102","15.812","0.003","7.204","0.0014","38.241","0.008","90","","90","","90","","4356","1.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Chen, Xin; Ge, Fei-Fei; Lu, Tao; Zhou, Qing-Fa","Stereoselective synthesis of 3-methyleneisoindolin-1-ones via base-catalyzed intermolecular reactions of electron-deficient alkynes with N-hydroxyphthalimides.","The Journal of organic chemistry","2015","80","6","3295","3301","10.1021/acs.joc.5b00002","","","0.71073","MoKα","","0.1962","0.0827","","","0.0829","0.1056","","","","","","0.981","","","","has coordinates","234244","2020-10-21","18:00:00",""
"4036103","13.625","0.003","5.326","0.0011","15.273","0.003","90","","106.71","0.03","90","","1061.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Chen, Xin; Ge, Fei-Fei; Lu, Tao; Zhou, Qing-Fa","Stereoselective synthesis of 3-methyleneisoindolin-1-ones via base-catalyzed intermolecular reactions of electron-deficient alkynes with N-hydroxyphthalimides.","The Journal of organic chemistry","2015","80","6","3295","3301","10.1021/acs.joc.5b00002","","","0.71073","MoKα","","0.0855","0.0525","","","0.1333","0.1552","","","","","","1.005","","","","has coordinates","234246","2020-10-21","18:00:00",""
"4036104","10.2477","0.0004","10.8191","0.0004","11.3109","0.0004","79.0525","0.0011","66.6749","0.0011","76.9949","0.0012","1114.88","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N7 O -","- C28 H19 N7 O -","- C56 H38 N14 O2 -","2","1","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","MoKα","","0.0803","0.0634","","","0.1229","0.1332","","","","","","1.169","","","","has coordinates","234248","2020-10-21","18:00:00",""
"4036105","11.3909","0.0008","12.0108","0.0008","30.282","0.002","90","","90","","90","","4143","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H18 N6 -","- C26 H18 N6 -","- C208 H144 N48 -","8","2","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","","","0.0929","0.0615","","","0.1366","0.1556","","","","","","1.11","","","","has coordinates","234250","2020-10-21","18:00:00",""
"4036106","23.8205","0.0011","11.7972","0.0005","11.1819","0.0004","90","","103.44","0.0014","90","","3056.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C18H12N3I","","","- C18 H12 I N3 -","- C18 H12 I N3 -","- C144 H96 I8 N24 -","8","2","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","","","0.0492","0.0371","","","0.0894","0.0964","","","","","","1.069","","","","has coordinates","234251","2020-10-21","18:00:00",""
"4036107","8.5115","0.0006","11.0465","0.0006","11.2349","0.0007","90","","105.865","0.007","90","","1016.09","0.12","294.29","0.1","294.29","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.0628","0.0493","","","0.1157","0.1336","","","","","","1.07","","","","has coordinates,has disorder","234253","2020-10-21","18:00:00",""
"4036108","8.1338","0.0005","10.2777","0.0006","21.8101","0.0009","90","","90","","90","","1823.25","0.17","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl N3 O3 -","- C19 H16 Cl N3 O3 -","- C76 H64 Cl4 N12 O12 -","4","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.1142","0.0603","","","0.1047","0.1366","","","","","","1.086","","","","has coordinates","234254","2020-10-21","18:00:00",""
"4036109","11.2837","0.0006","18.9703","0.0009","26.4631","0.0013","90","","90","","90","","5664.6","0.5","180","1","180","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 Br2 N10 O8 -","- C51 H77 Br2 N10 O8 -","- C204 H308 Br8 N40 O32 -","4","1","","Haberhauer, Gebhard; Burkhart, Christoph; Woitschetzki, Sascha; Wölper, Christoph","Light and chemically driven molecular machines showing a unidirectional four-state switching cycle.","The Journal of organic chemistry","2015","80","3","1887","1895","10.1021/acs.joc.5b00026","","","0.71073","MoKα","","0.0625","0.0401","","","0.0798","0.0866","","","","","","1.024","","","","has coordinates","234255","2020-10-21","18:00:00",""
"4036110","15.2526","0.0003","19.8673","0.0005","21.8203","0.0005","90","","91.264","0.001","90","","6610.6","0.3","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.25 H26.5 Cl0.5 I2 N6 -","- C28.25 H26.5 Cl0.5 I2 N6 -","- C226 H212 Cl4 I16 N48 -","8","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0345","0.0325","","","0.0782","0.0799","","","","","","1.077","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036111","43.4863","0.0009","7.3787","0.0001","16.9153","0.0003","90","","106.333","0.001","90","","5208.61","0.16","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Br2 N6 -","- C28 H26 Br2 N6 -","- C224 H208 Br16 N48 -","8","1","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0381","0.0303","","","0.067","0.0711","","","","","","1.071","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036112","22.7691","0.0008","11.3418","0.0004","28.9887","0.001","90","","103.8","0.001","90","","7270","0.4","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 B2 F8 I2 N6 O -","- C31 H36 B2 F8 I2 N6 O -","- C248 H288 B16 F64 I16 N48 O8 -","8","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0542","0.04","","","0.087","0.0935","","","","","","1.037","","","","has coordinates,has disorder","234257","2020-10-21","18:00:00",""
"4036113","11.6178","0.0002","12.8054","0.0002","15.4388","0.0003","100.157","0.001","93.967","0.001","103.274","0.001","2185.98","0.07","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 B I2 N9 O8 S -","- C36 H46 B I2 N9 O8 S -","- C72 H92 B2 I4 N18 O16 S2 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0278","0.0248","","","0.0535","0.0554","","","","","","1.068","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036114","16.0488","0.0005","17.2391","0.0007","17.3999","0.0005","118.013","0.002","112.079","0.002","93.597","0.002","3766.1","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.25 H36 B Br3 F4 N7 O0.25 -","- C32.25 H36 B Br3 F4 N7 O0.25 -","- C129 H144 B4 Br12 F16 N28 O -","4","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.1234","0.0929","","","0.229","0.2575","","","","","","1.121","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036115","15.2103","0.0003","15.8367","0.0005","17.3131","0.0005","73","0.001","69.553","0.001","74.841","0.001","3677.32","0.18","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 B2 Br2 F8 N7 S -","- C30 H33 B2 Br2 F8 N7 S -","- C120 H132 B8 Br8 F32 N28 S4 -","4","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0952","0.0696","","","0.142","0.1598","","","","","","1.128","","","","has coordinates,has disorder","234257","2020-10-21","18:00:00",""
"4036116","24.4902","0.0007","7.3248","0.0002","12.2729","0.0004","90","","114.913","0.002","90","","1996.72","0.11","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C96 H80 N24 O8 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0438","0.0368","","","0.084","0.0886","","","","","","1.087","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036117","8.8975","0.0003","8.9207","0.0003","11.9762","0.0004","78.8932","0.0018","88.2809","0.0018","74.9253","0.0018","900.47","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","RTK-2126","","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C40 H34 N6 O8 -","2","1","","Ryu, Taekyu; Baek, Yonghyeon; Lee, Phil Ho","Synthesis of pyrazines from rhodium-catalyzed reaction of 2H-Azirines with N-sulfonyl 1,2,3-triazoles.","The Journal of organic chemistry","2015","80","4","2376","2383","10.1021/acs.joc.5b00036","","","0.71073","","","0.1409","0.104","","","0.2496","0.2703","","","","","","0.975","","","","has coordinates","234260","2020-10-21","18:00:00",""
"4036118","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine a: application of a silicon-directed mukaiyama-type [3 + 2]-annulation.","The Journal of organic chemistry","2015","80","6","2959","2971","10.1021/acs.joc.5b00051","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","234262","2020-10-21","18:00:00",""
"4036119","9.1073","0.0003","9.5689","0.0003","12.2523","0.0004","94.511","0.002","96.832","0.002","117.146","0.002","932.65","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H42 N2 -","- C50 H42 N2 -","- C50 H42 N2 -","1","0.5","","Krzeszewski, Maciej; Gryko, Daniel T.","χ-Shaped bis(areno)-1,4-dihydropyrrolo[3,2-b]pyrroles generated by oxidative aromatic coupling.","The Journal of organic chemistry","2015","80","5","2893","2899","10.1021/acs.joc.5b00052","","","1.54178","CuKα","","0.0588","0.0536","","","0.1459","0.1499","","","","","","1.135","","","","has coordinates","234264","2020-10-21","18:00:00",""
"4036120","11.449","0.005","4.911","0.002","12.034","0.005","90","","95.046","0.008","90","","674","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Ling; Yang, Wen; Pan, Xuejing; Tao, Meng; Cheng, Guo; Wang, Sanyong; Zeng, Heping; Long, Yuhua; Yang, Dingqiao","Platinum-catalyzed asymmetric ring-opening reactions of oxabenzonorbornadienes with phenols.","The Journal of organic chemistry","2015","80","5","2503","2512","10.1021/acs.joc.5b00065","","","0.71073","MoKα","","0.1076","0.0492","","","0.1235","0.1676","","","","","","0.735","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036121","10.697","0.001","12.8787","0.0013","12.8484","0.0018","90","","120.842","0.003","90","","1519.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Yang, Zheng; Hao, Wen-Juan; Xu, Hai-Wei; Wang, Shu-Liang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Base-promoted transannulation of heterocyclic enamines and 2,3-epoxypropan-1-ones: regio- and stereoselective synthesis of fused pyridines and pyrroles.","The Journal of organic chemistry","2015","80","5","2781","2789","10.1021/acs.joc.5b00067","","","1.54178","CuKα","","0.2088","0.0692","","","0.0799","0.1281","","","","","","0.862","","","","has coordinates","234268","2020-10-21","18:00:00",""
"4036122","9.146","0.0008","10.6429","0.0009","12.1101","0.0011","77.659","0.001","88.687","0.002","67.853","0.001","1064.43","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Br Cl N O3 -","- C25 H17 Br Cl N O3 -","- C50 H34 Br2 Cl2 N2 O6 -","2","1","","Yang, Zheng; Hao, Wen-Juan; Xu, Hai-Wei; Wang, Shu-Liang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Base-promoted transannulation of heterocyclic enamines and 2,3-epoxypropan-1-ones: regio- and stereoselective synthesis of fused pyridines and pyrroles.","The Journal of organic chemistry","2015","80","5","2781","2789","10.1021/acs.joc.5b00067","","","0.71073","MoKα","","0.0909","0.0457","","","0.0928","0.1114","","","","","","1.008","","","","has coordinates","234269","2020-10-21","18:00:00",""
"4036123","25.171","0.008","6.816","0.002","7.736","0.002","90","","90.001","0.002","90","","1327.2","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","","Huang, Hai; He, Guangke; Zhu, Guohao; Zhu, Xiaolin; Qiu, Shineng; Zhu, Hongjun","Palladium-catalyzed intramolecular cyclization of ynamides: synthesis of 4-halo-oxazolones.","The Journal of organic chemistry","2015","80","7","3480","3487","10.1021/acs.joc.5b00071","","","0.71073","MoKα","","0.0423","0.0377","","","0.0968","0.1","","","","","","1.05","","","","has coordinates","234271","2020-10-21","18:00:00",""
"4036124","5.6","0.003","10.424","0.007","12.43","0.008","86.634","0.009","81.768","0.01","77.572","0.01","701","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C32 H24 Br2 N2 O4 -","2","1","","Huang, Hai; He, Guangke; Zhu, Guohao; Zhu, Xiaolin; Qiu, Shineng; Zhu, Hongjun","Palladium-catalyzed intramolecular cyclization of ynamides: synthesis of 4-halo-oxazolones.","The Journal of organic chemistry","2015","80","7","3480","3487","10.1021/acs.joc.5b00071","","","0.71073","MoKα","","0.0886","0.0644","","","0.1693","0.2097","","","","","","1.034","","","","has coordinates","234272","2020-10-21","18:00:00",""
"4036125","9.3627","0.0004","9.4005","0.0003","11.8314","0.0005","90","","97.518","0.004","90","","1032.38","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0636","0.0546","","","0.1416","0.1554","","","","","","1.033","","","","has coordinates","234274","2020-10-21","18:00:00",""
"4036126","11.1565","0.0003","9.6548","0.0002","15.7965","0.0004","90","","103.487","0.002","90","","1654.58","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48 N4 O -","- C38 H48 N4 O -","- C76 H96 N8 O2 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0577","0.0555","","","0.1508","0.1556","","","","","","1.039","","","","has coordinates","234275","2020-10-21","18:00:00",""
"4036127","9.907","0.002","11.217","0.002","11.866","0.002","86.5","0.03","77.99","0.03","64.1","0.03","1159.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C56 H46 N2 O6 S2 -","2","1","","Li, Yin-Long; Li, Jian; Ma, Ai-Lun; Huang, Ya-Nan; Deng, Jun","Metal-free synthesis of indole via NIS-mediated cascade C-N bond formation/aromatization.","The Journal of organic chemistry","2015","80","8","3841","3851","10.1021/acs.joc.5b00090","","","0.71073","MoKα","","0.0959","0.0562","","","0.135","0.151","","","","","","0.994","","","","has coordinates","234277","2020-10-21","18:00:00",""
"4036128","24.592","0.003","8.4874","0.0009","19.112","0.002","90","","125.939","0.002","90","","3229.7","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","1","","Alcaide, Benito; Almendros, Pedro; Herrera, Fernando; Luna, Amparo; de Orbe, M. Elena; Torres, M. Rosario","Gallium-catalyzed domino arylation/oxycyclization of allenes with phenols.","The Journal of organic chemistry","2015","80","8","4157","4163","10.1021/acs.joc.5b00106","","","0.71073","MoKα","","0.1312","0.0437","","","0.0812","0.097","","","","","","0.996","","","","has coordinates","234279","2020-10-21","18:00:00",""
"4036129","9.6614","0.0012","11.0297","0.0013","13.6784","0.0016","102.519","0.002","105.735","0.002","102.476","0.002","1309.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N2 O4 S -","- C28 H31 N2 O4 S -","- C56 H62 N4 O8 S2 -","2","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0756","0.0513","","","0.146","0.1687","","","","","","1.017","","","","has coordinates","234281","2020-10-21","18:00:00",""
"4036130","11.324","0.002","8.6176","0.0018","11.838","0.003","90","","105.763","0.004","90","","1111.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N2 O P -","- C25 H25 N2 O P -","- C50 H50 N4 O2 P2 -","2","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0397","0.0338","","","0.0777","0.0812","","","","","","1.037","","","","has coordinates","234283","2020-10-21","18:00:00",""
"4036131","12.0256","0.0013","8.4182","0.0009","22.784","0.002","90","","100.093","0.002","90","","2270.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N2 O P -","- C26 H27 N2 O P -","- C104 H108 N8 O4 P4 -","4","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0556","0.04","","","0.0947","0.1051","","","","","","1.036","","","","has coordinates","234284","2020-10-21","18:00:00",""
"4036132","8.0904","0.001","9.992","0.0012","13.4675","0.0016","82.598","0.002","87.292","0.002","68.4661","0.0019","1004.3","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C42 H64 O4 Si2 -","2","1","","Ying, Jun; Brown, Kenneth B.; Sandridge, Matthew J.; Hering, Brooke A.; Sabat, Michal; Pu, Lin","Rh(I)-catalyzed chemo- and stereoselective domino cycloaddition of optically active propargyl 2,4-hexadienyl ethers.","The Journal of organic chemistry","2015","80","6","3195","3202","10.1021/acs.joc.5b00150","","","0.71073","MoKα","","0.0767","0.0638","","","0.1811","0.1976","","","","","","0.984","","","","has coordinates","234286","2020-10-21","18:00:00",""
"4036133","13.0908","0.0002","6.7839","0.0001","20.8733","0.0004","90","","95.182","0.002","90","","1846.11","0.05","173","2","173","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H20 F N3 O5 -","- C20 H20 F N3 O5 -","- C80 H80 F4 N12 O20 -","4","1","","Medvecky, Michal; Istrate, Alena; Leumann, Christian J.","Synthesis and properties of 6'-fluoro-tricyclo-DNA.","The Journal of organic chemistry","2015","80","7","3556","3565","10.1021/acs.joc.5b00184","","","0.71073","MoKα","","0.0506","0.0405","","","0.0845","0.0913","","","","","","1.033","","","","has coordinates","234288","2020-10-21","18:00:00",""
"4036134","9.6199","0.0002","13.6428","0.0003","10.5086","0.0003","90","","111.148","0.0013","90","","1286.29","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0792","","","","0.2214","","","","","","1.07","","","","has coordinates","234289","2020-10-21","18:00:00",""
"4036135","9.69422","0.00018","14.6953","0.0003","23.5832","0.0005","90","","90","","90","","3359.65","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H36 N2 O4 -","- C43 H36 N2 O4 -","- C172 H144 N8 O16 -","4","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0423","","","","0.0928","","","","","","1.081","","","","has coordinates","234290","2020-10-21","18:00:00",""
"4036136","12.7178","0.0004","7.5494","0.0002","14.0334","0.0004","90","","109.232","0.0003","90","","1272.18","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br O2 -","- C13 H19 Br O2 -","- C52 H76 Br4 O8 -","4","1","","Shao, Wenjie; Clive, Derrick L. J.","Synthesis of substituted resorcinol monomethyl ethers from 2-bromo-3-methoxycyclohex-2-en-1-ones.","The Journal of organic chemistry","2015","80","6","3211","3216","10.1021/acs.joc.5b00192","","","0.71073","MoKα","","0.0232","0.0208","","","0.0538","0.055","","","","","","1.03","","","","has coordinates","234291","2020-10-21","18:00:00",""
"4036137","9.856","0.004","15.543","0.007","17.398","0.007","90","","90","","90","","2665.2","1.9","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br Cl2 N2 O3 -","- C30 H27 Br Cl2 N2 O3 -","- C120 H108 Br4 Cl8 N8 O12 -","4","1","","Wang, Yang; Tu, Man-Su; Yin, Lei; Sun, Meng; Shi, Feng","Brønsted acid catalyzed asymmetric diels-alder reactions: stereoselective construction of spiro[tetrahydrocarbazole-3,3'-oxindole] framework.","The Journal of organic chemistry","2015","80","6","3223","3232","10.1021/acs.joc.5b00198","","","0.71073","MoKα","","0.091","0.0798","","","0.2091","0.2175","","","","","","1.054","","","","has coordinates","234293","2020-10-21","18:00:00",""
"4036138","11.971","0.002","11.971","0.002","16.556","0.003","90","","90","","90","","2372.6","0.7","173.15","","173.15","","","","","","","","","6","P 41","P 4w","76","","","","- C24 H23 Br F3 N O3 -","- C24 H23 Br F3 N O3 -","- C96 H92 Br4 F12 N4 O12 -","4","1","","Wang, Dong-Ling; Liang, Zhi-Qin; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of trifluoromethyldihydropyridinones.","The Journal of organic chemistry","2015","80","11","5900","5905","10.1021/acs.joc.5b00232","","","0.71073","MoKα","","0.0456","0.0405","","","0.0886","0.0918","","","","","","1.114","","","","has coordinates","234295","2020-10-21","18:00:00",""
"4036139","35.939","0.005","11.4367","0.0017","22.415","0.003","90","","118.668","0.002","90","","8084","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H50 B Cl P S4 -","- C39.5 H42 B Cl P S4 -","- C316 H336 B8 Cl8 P8 S32 -","8","1","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.076","0.0437","","","0.1533","0.1704","","","","","","1.024","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036140","10.0104","0.0014","13.3519","0.0019","23.116","0.003","82.239","0.003","89.817","0.003","68.13","0.002","2837.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B2 P2 S4 -","- C58 H84 B2 P2 S4 -","- C116 H168 B4 P4 S8 -","2","1","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.0701","0.0375","","","0.0965","0.106","","","","","","0.909","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036141","9.9438","0.0016","17.258","0.003","27.89","0.005","90","","98.592","0.003","90","","4732.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1668","0.1002","","","0.2783","0.3288","","","","","","1.094","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036142","9.947","0.0016","17.253","0.003","27.87","0.005","90","","98.649","0.003","90","","4728.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1072","0.0618","","","0.18","0.2173","","","","","","0.986","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036143","7.8332","0.0003","12.1246","0.0004","13.0964","0.0004","90","","102.159","0.001","90","","1215.92","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Martínez-López, David; Yu, Meng-Long; García-Iriepa, Cristina; Campos, Pedro J.; Frutos, Luis Manuel; Golen, James A.; Rasapalli, Sivappa; Sampedro, Diego","Hydantoin-based molecular photoswitches.","The Journal of organic chemistry","2015","80","8","3929","3939","10.1021/acs.joc.5b00244","","","1.54178","CuKα","","0.0459","0.0428","","","0.1259","0.131","","","","","","1.017","","","","has coordinates","234299","2020-10-21","18:00:00",""
"4036144","8.46912","0.00008","9.73854","0.00011","22.7407","0.0002","90","","90","","90","","1875.58","0.03","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 I N O4 -","- C20 H18 I N O4 -","- C80 H72 I4 N4 O16 -","4","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.0185","0.0178","","","0.0452","0.0457","","","","","","1.085","","","","has coordinates","234301","2020-10-21","18:00:00",""
"4036145","5.7653","0.0002","8.9351","0.0004","17.7277","0.0009","89.483","0.004","88.583","0.004","72.496","0.004","870.66","0.07","130.01","0.1","130.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 I O2 -","- C21 H15 I O2 -","- C42 H30 I2 O4 -","2","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.0493","0.0454","","","0.1358","0.1376","","","","","","1.083","","","","has coordinates","234302","2020-10-21","18:00:00",""
"4036146","25.9617","0.0005","8.38374","0.00012","14.3655","0.0002","90","","102.867","0.0015","90","","3048.22","0.09","130.01","0.1","130.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 I N O2 -","- C17 H12 I N O2 -","- C136 H96 I8 N8 O16 -","8","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.026","0.0242","","","0.0626","0.0645","","","","","","1.029","","","","has coordinates","234303","2020-10-21","18:00:00",""
"4036147","12.373","0.004","15.283","0.005","14.826","0.005","90","","98.377","0.004","90","","2773.6","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 N2 O2 P -","- C33 H31 N2 O2 P -","- C132 H124 N8 O8 P4 -","4","1","","Lin, Chao-Yang; Sun, Zhao; Xu, Yan-Jun; Lu, Chong-Dao","Synthesis of aryl anti-vicinal diamines via aza-Brook rearrangement-initiated nucleophilic addition of α-silylamines to imines.","The Journal of organic chemistry","2015","80","7","3714","3722","10.1021/acs.joc.5b00255","","","0.71073","MoKα","","0.0926","0.0628","","","0.2041","0.2372","","","","","","1.09","","","","has coordinates","234305","2020-10-21","18:00:00",""
"4036148","17.4936","0.0003","22.4947","0.0003","23.0451","0.0003","90","","90","","90","","9068.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H84 N8 O16 Rh2 -","- C86 H84 N8 O16 Rh2 -","- C344 H336 N32 O64 Rh8 -","4","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0354","0.0327","","","0.0896","0.0911","","","","","","1.047","","","","has coordinates,has disorder","234307","2020-10-21","18:00:00",""
"4036149","10.723","0.0004","6.055","0.0002","13.7208","0.0005","90","","105.927","0.001","90","","856.66","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl3 N O2 S -","- C14 H18 Cl3 N O2 S -","- C28 H36 Cl6 N2 O4 S2 -","2","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0283","0.0281","","","0.0717","0.072","","","","","","1.068","","","","has coordinates","234309","2020-10-21","18:00:00",""
"4036150","18.8047","0.0012","12.8679","0.0009","18.8388","0.0013","90","","99.556","0.007","90","","4495.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C208 H168 N8 O16 -","8","1","","Liu, Le; Wang, Jianbo; Zhou, Hongwei","Selectfluor-Promoted Sequential Reactions via Allene Intermediates: Metal-Free Construction of Fused Polycyclic Skeletons.","The Journal of organic chemistry","2015","80","9","4749","4753","10.1021/acs.joc.5b00261","","","0.71073","MoKα","","0.0995","0.0652","","","0.188","0.2087","","","","","","1.049","","","","has coordinates","234310","2020-10-21","18:00:00",""
"4036151","14.7196","0.0007","5.8118","0.0002","15.2737","0.0006","90","","109.568","0.003","90","","1231.16","0.09","210","2","210","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Phenyl-3a,8-dihydro-3H-pyrazolo[5,1-a]isoindol-2-ol","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Schmidt, Bernd; Elizarov, Nelli; Schilde, Uwe; Kelling, Alexandra","Dual Role of Acetanilides: Traceless Removal of a Directing Group through Deacetylation/Diazotation and Palladium-Catalyzed C-C-Coupling Reactions.","The Journal of organic chemistry","2015","80","9","4223","4234","10.1021/acs.joc.5b00272","","","0.71073","MoKα","","0.0519","0.0332","","","0.0761","0.0822","","","","","","0.941","","","","has coordinates","234312","2020-10-21","18:00:00",""
"4036152","6.2816","0.0003","28.4861","0.0016","11.4483","0.0006","90","","102.171","0.003","90","","2002.49","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0908","0.07","","","0.2204","0.2397","","","","","","1.801","","","","has coordinates","234314","2020-10-21","18:00:00",""
"4036153","12.5448","0.0006","11.8243","0.0005","21.3466","0.001","90","","90","","90","","3166.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C144 H136 N8 O24 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0567","0.0467","","","0.1635","0.1829","","","","","","1.55","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036154","24.7389","0.001","8.0887","0.0003","21.7176","0.0009","90","","114.145","0.004","90","","3965.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O4 S -","- C23 N2 O4 S -","- C184 N16 O32 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.13","0.1039","","","0.3189","0.3388","","","","","","2.544","","","","has coordinates","234318","2020-10-21","18:00:00",""
"4036155","23.1139","0.0009","10.9419","0.0005","15.74","0.0006","90","","93.904","0.002","90","","3971.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C160 H176 N16 O32 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.113","0.0725","","","0.2117","0.2479","","","","","","1.7","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036156","9.959","0.0014","9.9943","0.0014","11.4282","0.0016","74.08","0.002","77.755","0.002","64.182","0.001","979","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Shang, Yongjia; Hu, Xiaoqian; He, Xinwei; Tao, Jiajia; Han, Guang; Wu, Fuli; Wang, Jie","FeCl3-Mediated Synthesis of β-Alkynyl Ketones via Domino Nucleophilic-Substitution/Intramolecular-Cyclization/Reverse Claisen Condensation of N-Cyclohexyl Propargylamines and 1,3-Diketones.","The Journal of organic chemistry","2015","80","9","4760","4765","10.1021/acs.joc.5b00281","","","0.71073","MoKα","","0.0473","0.0405","","","0.1097","0.1163","","","","","","1.053","","","","has coordinates","234322","2020-10-21","18:00:00",""
"4036157","11.5642","0.0006","9.0929","0.0003","11.262","0.0004","90","","107.084","0.005","90","","1131.97","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Sandoval-Lira, Jacinto; Fuentes, Lilia; Quintero, Leticia; Höpfl, Herbert; Hernández-Pérez, Julio M; Terán, Joel L; Sartillo-Piscil, Fernando","The Stabilizing Role of the Intramolecular C-H···O Hydrogen Bond in Cyclic Amides Derived From α-Methylbenzylamine.","The Journal of organic chemistry","2015","80","9","4481","4490","10.1021/acs.joc.5b00286","","","0.71073","MoKα","","0.1081","0.0514","","","0.1031","0.1276","","","","","","1.017","","","","has coordinates","234324","2020-10-21","18:00:00",""
"4036158","6.4047","0.0006","11.833","0.005","20.4531","0.0019","90","","90","","90","","1550.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Sandoval-Lira, Jacinto; Fuentes, Lilia; Quintero, Leticia; Höpfl, Herbert; Hernández-Pérez, Julio M; Terán, Joel L; Sartillo-Piscil, Fernando","The Stabilizing Role of the Intramolecular C-H···O Hydrogen Bond in Cyclic Amides Derived From α-Methylbenzylamine.","The Journal of organic chemistry","2015","80","9","4481","4490","10.1021/acs.joc.5b00286","","","0.71073","MoKα","","0.0596","0.0435","","","0.0862","0.0971","","","","","","1.066","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036159","34.1629","0.0008","20.3663","0.0004","19.4299","0.0003","90","","104.204","0.002","90","","13105.5","0.5","180","0.1","180","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H41 N3 O -","- C84 H41 N3 O -","- C672 H328 N24 O8 -","8","1","","Liang, Sisi; Xu, Liang; Gan, Liangbing","Synthesis and chemical reactivity of tetrahydro[60]fullerene epoxides with both amino and aryl addends.","The Journal of organic chemistry","2015","80","8","3957","3964","10.1021/acs.joc.5b00287","","","0.7107","MoKα","","0.1023","0.0817","","","0.2338","0.2481","","","","","","1.073","","","","has coordinates","234328","2020-10-21","18:00:00",""
"4036160","15.916","0.002","11.755","0.003","25.654","0.005","90","","106.285","0.003","90","","4607.1","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O1.5 S -","- C28 H25 N3 O1.5 S -","- C224 H200 N24 O12 S8 -","8","2","","Wen, Li-Rong; Yuan, Wen-Kui; Li, Ming","Dual Roles of β-Oxodithioesters in the Copper-Catalyzed Synthesis of Benzo[e]pyrazolo[1,5-c][1,3]thiazine Derivatives.","The Journal of organic chemistry","2015","80","10","4942","4949","10.1021/acs.joc.5b00288","","","0.71073","MoKα","","0.0957","0.0805","","","0.1523","0.1603","","","","","","1.17","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4036161","9.1085","0.0012","11.2556","0.0014","18.194","0.002","77.224","0.002","80.557","0.002","87.831","0.002","1794.4","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H39 Br N2 O8 S -","- C39 H39 Br N2 O8 S -","- C78 H78 Br2 N4 O16 S2 -","2","2","","Liu, Teng; Liu, Weiwei; Li, Xiaonian; Peng, Fangzhi; Shao, Zhihui","Catalytic Asymmetric Construction of Vicinal Tetrasubstituted Stereocenters by the Mannich Reaction of Linear α-Substituted Monothiomalonates with Isatin N-Boc Ketimines.","The Journal of organic chemistry","2015","80","10","4950","4956","10.1021/acs.joc.5b00302","","","0.71073","MoKα","","0.0528","0.0437","","","0.1093","0.1127","","","","","","0.992","","","","has coordinates","234333","2020-10-21","18:00:00",""
"4036162","7.916","0.0013","13.6054","0.001","17.845","0.002","90","","94.441","0.014","90","","1916.1","0.4","106.7","","106.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2,4-thiadiazinane 6b","Ethyl rel(4bR,5R,13bS)-4b,5,9,13b,15,16-hexahydro-8H-[1,2,4]thiadiazino[3,2-a:5,4-a']diisoquinoline-5-carboxylate 6,6-dioxide","","- C22 H24 N2 O4 S -","- C22 H24 N2 O4 S -","- C88 H96 N8 O16 S4 -","4","1","","Yang, Zhanhui; Chen, Ning; Xu, Jiaxi","Substituent-controlled annuloselectivity and stereoselectivity in the sulfa-Staudinger cycloadditions.","The Journal of organic chemistry","2015","80","7","3611","3620","10.1021/acs.joc.5b00312","","","0.7107","MoKα","","0.046","0.0373","","","0.0838","0.0897","","","","","","1.043","","","","has coordinates","234334","2020-10-21","18:00:00",""
"4036163","12.65","0.003","9.735","0.0019","23.36","0.005","90","","101.6","0.03","90","","2818","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N3 Ni O3 -","- C33 H29 N3 Ni O3 -","- C132 H116 N12 Ni4 O12 -","4","1","","Zhang, Fan; Sun, Hengzhi; Song, Zhuang; Zhou, Shuxi; Wen, Xiaoan; Xu, Qing-Long; Sun, Hongbin","Stereoselective Synthesis of Arylglycine Derivatives via Palladium-Catalyzed α-Arylation of a Chiral Nickel(II) Glycinate.","The Journal of organic chemistry","2015","80","9","4459","4464","10.1021/acs.joc.5b00314","","","0.71073","MoKα","","0.0747","0.0437","","","0.102","0.1141","","","","","","1","","","","has coordinates","234336","2020-10-21","18:00:00",""
"4036164","9.1098","0.0002","9.1098","0.0002","29.0236","0.0008","90","","90","","120","","2085.93","0.09","223","2","223","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0458","0.0438","","","0.097","0.0983","","","","","","1.046","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036165","9.1086","0.0002","9.1086","0.0002","29.0117","0.0008","90","","90","","120","","2084.52","0.09","223","2","223","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0415","0.0379","","","0.0951","0.0977","","","","","","1.036","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036166","6.4823","0.0004","8.3175","0.0006","13.0478","0.0008","90","","93.143","0.004","90","","702.43","0.08","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0482","0.0445","","","0.1134","0.1174","","","","","","1.044","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036167","6.4701","0.0009","8.3119","0.001","13.054","0.002","90","","93.313","0.005","90","","700.86","0.17","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0727","0.0674","","","0.1796","0.1886","","","","","","1.058","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036168","18.2665","0.0013","11.8338","0.0007","19.3611","0.0014","90","","113.875","0.008","90","","3827","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","2","","Wallbaum, Jan; Jones, Peter G.; Werz, Daniel B.","Reacting cyclopropenones with arynes: access to spirocyclic xanthene-cyclopropene motifs.","The Journal of organic chemistry","2015","80","7","3730","3734","10.1021/acs.joc.5b00330","","","0.71073","MoKα","","0.0773","0.0507","","","0.0969","0.1079","","","","","","1.04","","","","has coordinates","234339","2020-10-21","18:00:00",""
"4036169","19.114","0.0018","20.524","0.002","5.798","0.0006","90","","90","","90","","2274.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.","Enantioselective total syntheses of (+)-hostmanin A, (-)-linderol A, (+)-methyllinderatin and structural reassignment of adunctin E.","The Journal of organic chemistry","2015","80","9","4526","4531","10.1021/acs.joc.5b00331","","","0.71073","MoKα","","0.1151","0.078","","","0.2162","0.2421","","","","","","1.012","","","","has coordinates","234340","2020-10-21","18:00:00",""
"4036170","12.4099","0.0018","4.9012","0.0007","21.768","0.003","90","","105.392","0.008","90","","1276.5","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 F3 N2 O5 -","- C28 H27 F3 N2 O5 -","- C56 H54 F6 N4 O10 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0695","0.0416","","","0.1175","0.1446","","","","","","1.068","","","","has coordinates","234342","2020-10-21","18:00:00",""
"4036171","4.7783","0.0002","24.114","0.001","10.8711","0.0005","90","","98.831","0.004","90","","1237.76","0.09","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 F3 N2 O4 -","- C27 H31 F3 N2 O4 -","- C54 H62 F6 N4 O8 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54184","CuKα","","0.0697","0.0689","","","0.1892","0.1901","","","","","","1.014","","","","has coordinates","234344","2020-10-21","18:00:00",""
"4036172","14.4409","0.0006","6.4059","0.0003","21.8029","0.001","90","","94.977","0.003","90","","2009.32","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 N2 O3 -","- C20 H25 F3 N2 O3 -","- C80 H100 F12 N8 O12 -","4","2","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0715","0.0623","","","0.1804","0.1935","","","","","","1.05","","","","has coordinates","234346","2020-10-21","18:00:00",""
"4036173","18.348","0.006","7.522","0.002","12.006","0.004","90","","104.643","0.006","90","","1603.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 B10 N2 S -","- C10 H14 B10 N2 S -","- C40 H56 B40 N8 S4 -","4","1","","Kim, So-Yoen; Lee, Ah-Rang; Jin, Guo Fan; Cho, Yang-Jin; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Electronic Alteration on Oligothiophenes by o-Carborane: Electron Acceptor Character of o-Carborane in Oligothiophene Frameworks with Dicyano-Vinyl End-On Group.","The Journal of organic chemistry","2015","80","9","4573","4580","10.1021/acs.joc.5b00336","","","0.71073","MoKα","","0.1278","0.0758","","","0.2002","0.2479","","","","","","1.066","","","","has coordinates","234348","2020-10-21","18:00:00",""
"4036174","15.986","0.008","11.333","0.006","14.165","0.007","90","","114.529","0.008","90","","2335","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B10 N4 S2 -","- C18 H16 B10 N4 S2 -","- C72 H64 B40 N16 S8 -","4","0.5","","Kim, So-Yoen; Lee, Ah-Rang; Jin, Guo Fan; Cho, Yang-Jin; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Electronic Alteration on Oligothiophenes by o-Carborane: Electron Acceptor Character of o-Carborane in Oligothiophene Frameworks with Dicyano-Vinyl End-On Group.","The Journal of organic chemistry","2015","80","9","4573","4580","10.1021/acs.joc.5b00336","","","0.71073","MoKα","","0.1313","0.0932","","","0.2462","0.2616","","","","","","1.184","","","","has coordinates","234348","2020-10-21","18:00:00",""
"4036175","14.796","0.004","14.826","0.004","17.185","0.005","92.321","0.005","95.308","0.005","95.191","0.004","3733.7","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H90 Br2 N4 Ni -","- C76 H88 Br2 N4 Ni -","- C152 H176 Br4 N8 Ni2 -","2","1","","Di Carlo, Gabriele; Orbelli Biroli, Alessio; Tessore, Francesca; Rizzato, Silvia; Forni, Alessandra; Magnano, Giulia; Pizzotti, Maddalena","Light-Induced Regiospecific Bromination of meso-Tetra(3,5-di-tert-butylphenyl)Porphyrin on 2,12 β-Pyrrolic Positions.","The Journal of organic chemistry","2015","80","10","4973","4980","10.1021/acs.joc.5b00367","","","0.71073","MoKα","","0.136","0.0873","","","0.2411","0.2744","","","","","","1.07","","","","has coordinates,has disorder","234350","2020-10-21","18:00:00",""
"4036176","20.1712","0.0006","5.5819","0.0001","28.3409","0.0009","90","","107.75","0.004","90","","3039.1","0.16","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H48 N2 O3 S -","- C31 H48 N2 O3 S -","- C124 H192 N8 O12 S4 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Shah, Rushabh S.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of nakinadine D, nakinadine E, and nakinadine F: confirmation of their relative (RS,SR)-configurations and proposal of their absolute (2S,3R)-configurations.","The Journal of organic chemistry","2015","80","8","4017","4029","10.1021/acs.joc.5b00376","","","1.5418","CuKα","","0.041","0.0359","","0.0948","0.0891","0.0947","","","","","","1","","","","has coordinates","234352","2020-10-21","18:00:00",""
"4036177","8.2508","0.0004","11.0623","0.0005","11.3405","0.0005","103.306","0.004","95.478","0.004","100.9","0.004","978.6","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Cl O3 -","- C23 H19 Cl O3 -","- C46 H38 Cl2 O6 -","2","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0707","0.0648","","","0.1959","0.204","","","","","","1.067","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036178","15.467","0.003","5.7705","0.001","22.341","0.005","90","","99.1","0.02","90","","1968.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","0.71073","MoKα","","0.1545","0.0701","","","0.1344","0.1746","","","","","","1.024","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036179","11.8106","0.0011","8.1876","0.0009","19.816","0.003","90","","104.297","0.011","90","","1856.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","0.71073","MoKα","","0.1013","0.0599","","","0.1565","0.1865","","","","","","0.963","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036180","12.3414","0.0004","20.8549","0.0006","6.9482","0.0002","90","","90","","90","","1788.32","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0483","0.0411","","","0.0988","0.1049","","","","","","1.075","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036181","15.4744","0.0003","16.1876","0.0003","15.6267","0.0003","90","","100.335","0.0018","90","","3850.87","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O5 -","- C23 H17 N O5 -","- C184 H136 N8 O40 -","8","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0703","0.0666","","","0.1549","0.1592","","","","","","1.146","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036182","13.8025","0.0013","12.8183","0.0006","16.7453","0.0008","90","","90","","90","","2962.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 B F4 N O -","- C14 H16 B F3.9996 N O -","- C112 H128 B8 F31.9968 N8 O8 -","8","1","","Barbero, Margherita; Buscaino, Roberto; Cadamuro, Silvano; Dughera, Stefano; Gualandi, Andrea; Marabello, Domenica; Cozzi, Pier Giorgio","Synthesis of bench-stable diarylmethylium tetrafluoroborates.","The Journal of organic chemistry","2015","80","9","4791","4796","10.1021/acs.joc.5b00418","","x-ray","0.71073","MoKα","","0.1005","0.0889","","","0.2737","0.2891","","","","","","1.012","","","","has coordinates,has disorder","234357","2020-10-21","18:00:00",""
"4036183","9.0607","0.0003","12.9754","0.0004","13.6636","0.001","90","","93.395","0.007","90","","1603.56","0.14","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound 1","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","1.54187","CuKα","","0.046","0.0394","","","0.0996","0.1036","","","","","","1.088","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036184","7.7461","0.0002","13.7554","0.0003","8.0544","0.0006","90","","106.57","0.007","90","","822.56","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","compound 2","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","1.54187","CuKα","","0.0731","0.0615","","","0.1639","0.1909","","","","","","1.111","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036185","9.3674","0.001","18.924","0.002","9.5002","0.001","90","","92.427","0.007","90","","1682.6","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","compound 3","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","0.71075","MoKα","","0.1458","0.0877","","","0.1433","0.1621","","","","","","1.166","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036186","8.2249","0.0003","15.9388","0.0005","19.3071","0.0013","90.772","0.006","100.563","0.007","97.981","0.007","2462.1","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","compound 4","","","- C19 H22 O3 -","- C19 H22 O3 -","- C114 H132 O18 -","6","3","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","0.71075","MoKα","","0.0474","0.0389","","","0.0947","0.0999","","","","","","1.094","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036187","14.566","0.003","20.54","0.004","7.8955","0.0014","90","","95.933","0.006","90","","2349.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H18 F4 N -","- C36.5 H18 F4 N -","- C146 H72 F16 N4 -","4","1","","Kumar, Sushil; Tao, Yu-Tai","Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives.","The Journal of organic chemistry","2015","80","10","5066","5076","10.1021/acs.joc.5b00423","","","0.71073","MoKα","","0.1328","0.0724","","","0.1576","0.1795","","","","","","1.141","","","","has coordinates,has disorder","234361","2020-10-21","18:00:00",""
"4036188","28.9098","0.0015","11.3723","0.0005","28.865","0.002","90","","119.143","0.001","90","","8288.6","0.8","100","0.2","100","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C55 H39 O7 -","- C55 H39 O7 -","- C440 H312 O56 -","8","1","","Kumar, Sushil; Tao, Yu-Tai","Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives.","The Journal of organic chemistry","2015","80","10","5066","5076","10.1021/acs.joc.5b00423","","","0.71073","MoKα","","0.0874","0.0601","","","0.1472","0.1597","","","","","","1.085","","","","has coordinates,has disorder","234363","2020-10-21","18:00:00",""
"4036189","6.7266","0.0009","13.5479","0.0019","7.8299","0.0011","90","","105.259","0.001","90","","688.39","0.16","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 B F2 N2 O2 -","- C4 H7 B F2 N2 O2 -","- C16 H28 B4 F8 N8 O8 -","4","1","","Morita, Nobuyoshi; Kono, Rina; Fukui, Kenji; Miyazawa, Asuka; Masu, Hyuma; Azumaya, Isao; Ban, Shintaro; Hashimoto, Yoshimitsu; Okamoto, Iwao; Tamura, Osamu","BF3-Mediated cis-Selective Cycloaddition of O-Silyloxime with Alkenes.","The Journal of organic chemistry","2015","80","9","4797","4802","10.1021/acs.joc.5b00426","","","0.71073","MoKα","","0.0348","0.0324","","","0.0907","0.0922","","","","","","1.087","","","","has coordinates","234364","2020-10-21","18:00:00",""
"4036190","12.7329","0.0003","9.8758","0.0002","20.0466","0.0005","90","","90","","90","","2520.81","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","0.71073","MoKα","","0.0614","0.0479","","","0.1323","0.1381","","","","","","1.15","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036191","15.734","0.0009","4.8131","0.0002","17.7517","0.0008","90","","104.822","0.005","90","","1299.59","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F2 N2 S3 -","- C14 H6 F2 N2 S3 -","- C56 H24 F8 N8 S12 -","4","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","1.54184","CuKα","","0.058","0.0453","","","0.1167","0.1259","","","","","","1.033","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036192","8.7785","0.0009","13.8258","0.0013","15.4586","0.0017","90","","90","","90","","1876.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoK/a","","0.1307","0.062","","","0.1481","0.1789","","","","","","1.007","","","","has coordinates","234368","2020-10-21","18:00:00",""
"4036193","7.213","0.0003","12.9671","0.0005","14.1141","0.0006","90","","90","","90","","1320.12","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0378","0.0337","","","0.0894","0.0931","","","","","","1.048","","","","has coordinates","234369","2020-10-21","18:00:00",""
"4036194","7.5978","0.0002","8.3479","0.0002","12.4229","0.0003","90","","97.7471","0.0012","90","","780.74","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C32 H36 N4 O10 -","2","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0466","0.0402","","","0.0974","0.1029","","","","","","1.063","","","","has coordinates","234371","2020-10-21","18:00:00",""
"4036195","30.816","0.012","5.424","0.002","14.333","0.005","90","","105.807","0.006","90","","2305.1","1.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C104 H88 N24 S8 -","8","1","","Sharma, Poonam; Rohilla, Sandeep; Jain, Nidhi","Copper acetate-DMSO promoted methylthiolation of arenes and heteroarenes.","The Journal of organic chemistry","2015","80","8","4116","4122","10.1021/acs.joc.5b00443","","","0.71073","MoKα","","0.0579","0.0518","","","0.1163","0.1198","","","","","","1.149","","","","has coordinates","234373","2020-10-21","18:00:00",""
"4036196","16.3367","0.001","13.1395","0.0009","10.2258","0.0006","90","","90.818","0.002","90","","2194.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N5 O3 -","- C22 H31 N5 O3 -","- C88 H124 N20 O12 -","4","1","","Salvador, Carlos Eduardo M.; Pieber, Bartholomäus; Neu, Philipp M.; Torvisco, Ana; Kleber Z Andrade, Carlos; Kappe, C. Oliver","A sequential Ugi multicomponent/Cu-catalyzed azide-alkyne cycloaddition approach for the continuous flow generation of cyclic peptoids.","The Journal of organic chemistry","2015","80","9","4590","4602","10.1021/acs.joc.5b00445","","","0.71073","MoKα","","0.0595","0.0455","","","0.1155","0.1239","","","","","","1.029","","","","has coordinates","234375","2020-10-21","18:00:00",""
"4036197","9.57757","0.00016","11.68339","0.00018","12.569","0.0002","90","","90","","90","","1406.45","0.04","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Struble, Mark D.; Holl, Maxwell Gargiulo; Coombs, Gavin; Siegler, Maxime A.; Lectka, Thomas","Synthesis of a Tight Intramolecular OH···Olefin Interaction, Probed by IR, (1)H NMR, and Quantum Chemistry.","The Journal of organic chemistry","2015","80","9","4803","4807","10.1021/acs.joc.5b00470","","","1.54178","CuKα","","0.0282","0.0276","","","0.0697","0.0702","","","","","","1.074","","","","has coordinates","234376","2020-10-21","18:00:00",""
"4036198","7.7983","0.0006","8.4361","0.0008","10.6779","0.0009","97.918","0.007","106.53","0.007","90.609","0.007","666.1","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Liu, Jianzhong; Xie, Ying; Zeng, Wei; Lin, Dongen; Deng, Yuanfu; Lu, Xiaoxia","Pd(II)-Catalyzed Pyridine N-Oxides Directed Arylation of Unactivated Csp(3)-H Bonds.","The Journal of organic chemistry","2015","80","9","4618","4626","10.1021/acs.joc.5b00489","","","1.54178","CuKα","","0.0398","0.0334","","","0.0856","0.0932","","","","","","1.015","","","","has coordinates","234378","2020-10-21","18:00:00",""
"4036199","27.882","0.003","7.9855","0.0009","17.2024","0.0019","90","","123.328","0.002","90","","3200.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","","Shang, Xue Song; Li, Nian Tai; Siyang, Hai Xiao; Liu, Pei Nian","Palladium-Catalyzed Tandem Carbene Migratory Insertion and Intramolecular Cyclization: Synthesis of Chromeno[4,3-b]chromene Compounds.","The Journal of organic chemistry","2015","80","9","4808","4815","10.1021/acs.joc.5b00500","","","0.71073","MoKα","","0.0614","0.0499","","","0.1381","0.1481","","","","","","1.019","","","","has coordinates","234380","2020-10-21","18:00:00",""
"4036200","11.7263","0.001","8.0477","0.0007","16.6817","0.0015","90","","102.51","0.001","90","","1536.9","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 N2 O S -","- C15 H15 F3 N2 O S -","- C60 H60 F12 N8 O4 S4 -","4","1","","Xiong, Heng-Ying; Besset, Tatiana; Cahard, Dominique; Pannecoucke, Xavier","Palladium(II)-catalyzed directed trifluoromethylthiolation of unactivated C(sp³)-H bonds.","The Journal of organic chemistry","2015","80","8","4204","4212","10.1021/acs.joc.5b00505","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1238","0.1302","","","","","","1.037","","","","has coordinates","234383","2020-10-21","18:00:00",""
"4036201","13.5783","0.0019","12.2811","0.0017","13.771","0.002","90","","112.448","0.002","90","","2122.4","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 F3 N2 O S -","- C21 H17 Cl2 F3 N2 O S -","- C84 H68 Cl8 F12 N8 O4 S4 -","4","1","","Xiong, Heng-Ying; Besset, Tatiana; Cahard, Dominique; Pannecoucke, Xavier","Palladium(II)-catalyzed directed trifluoromethylthiolation of unactivated C(sp³)-H bonds.","The Journal of organic chemistry","2015","80","8","4204","4212","10.1021/acs.joc.5b00505","","x-ray","0.71073","MoKα","","0.0623","0.0476","","","0.1239","0.1368","","","","","","1.04","","","","has coordinates","234385","2020-10-21","18:00:00",""
"4036202","11.5931","0.0002","10.9324","0.0002","18.2371","0.0013","90","","92.902","0.007","90","","2308.41","0.18","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N3 O -","- C28 H27 N3 O -","- C112 H108 N12 O4 -","4","1","","Grosse, Sandrine; Pillard, Christelle; Massip, Stéphane; Marchivie, Mathieu; Jarry, Christian; Bernard, Philippe; Guillaumet, Gérald","Ligandless Palladium-Catalyzed Regioselective Direct C-H Arylation of Imidazo[1,2-a]imidazole Derivatives.","The Journal of organic chemistry","2015","80","17","8539","8551","10.1021/acs.joc.5b00534","","","1.54178","CuKα","","0.1","0.079","","","0.1781","0.1897","","","","","","1.012","","","","has coordinates,has disorder","234387","2020-10-21","18:00:00",""
"4036203","11.28023","0.00018","6.62379","0.00009","13.9299","0.0002","90","","100.736","0.0015","90","","1022.59","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 B O P -","- C21 H34 B O P -","- C42 H68 B2 O2 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0789","0.0795","","","","","","1.059","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036204","6.57388","0.00009","24.3738","0.0003","10.48088","0.00015","90","","96.6403","0.0013","90","","1668.09","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 B O2 P -","- C15 H30 B O2 P -","- C60 H120 B4 O8 P4 -","4","2","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0351","0.0346","","","0.092","0.0926","","","","","","1.067","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036205","10.51018","0.00011","11.46665","0.00011","12.93223","0.00012","90","","90","","90","","1558.55","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 O3 P -","- C15 H27 O3 P -","- C60 H108 O12 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0858","0.0864","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036206","6.5151","0.0001","10.6435","0.0002","11.8462","0.0003","90","","104.009","0.001","90","","797.02","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H23 O3 P -","- C17 H23 O3 P -","- C34 H46 O6 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.0559","0.0377","","","0.0816","0.0899","","","","","","1.059","","","","has coordinates","234390","2020-10-21","18:00:00",""
"4036207","6.6376","0.0002","9.3332","0.0003","29.571","0.001","90","","90","","90","","1831.92","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O4 P -","- C19 H25 O4 P -","- C76 H100 O16 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.1735","0.0531","","","0.1055","0.1326","","","","","","0.886","","","","has coordinates,has disorder","234390","2020-10-21","18:00:00",""
"4036208","27.352","0.004","28.721","0.006","8.0562","0.001","90","","90","","90","","6328.8","1.8","150","2","150","2","","","","","","","","2","I b a 2","I 2 -2c","45","tribenzodecacyclene","Benzo[1,2-a:3,4-a':5,6-a""]triaceanthrylene","","- C48 H24 -","- C48 H24 -","- C384 H192 -","8","1","","Geng, Xin; Mague, Joel T.; Pascal, Jr, Robert A","Tribenzodecacyclene and hexabenzodecacyclene.","The Journal of organic chemistry","2015","80","9","4824","4827","10.1021/acs.joc.5b00551","","","0.71073","MoKα","","0.064","0.0507","","","0.1235","0.1356","","","","","","1.032","","","","has coordinates","234392","2020-10-21","18:00:00",""
"4036209","5.837","0.0012","14.149","0.003","17.65","0.004","90","","90","","90","","1457.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Yang, Chao; Zhang, Xiang; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhI(OCOCF3)2-Mediated Cyclization of o-(1-Alkynyl)benzamides: Metal-Free Synthesis of 3-Hydroxy-2,3-dihydroisoquinoline-1,4-dione.","The Journal of organic chemistry","2015","80","10","5320","5328","10.1021/acs.joc.5b00576","","","0.71073","MoKα","","0.0539","0.0423","","","0.089","0.0946","","","","","","1.062","","","","has coordinates","234393","2020-10-21","18:00:00",""
"4036210","5.183","0.0001","12.7946","0.0002","26.0924","0.0003","90","","90","","90","","1730.3","0.05","150","","150","","","","","","","","Research School of Chemistry","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Zhang, Yiwen; Dlugosch, Michael; Jübermann, Martin; Banwell, Martin G.; Ward, Jas S.","Total syntheses of the resorcylic acid lactone neocosmosin A and its enantiomer.","The Journal of organic chemistry","2015","80","9","4828","4833","10.1021/acs.joc.5b00590","","","1.54184","CuKα","","0.0351","0.0332","","0.0867","0.0852","0.0867","","","","","","1.004","","","","has coordinates","234395","2020-10-21","18:00:00",""
"4036211","6.098","0.004","7.378","0.005","9.239","0.005","106.18","0.02","100.896","0.019","96.42","0.02","386","0.4","200","2","200","2","","","","","","","","3","P 1","P 1","1","acetal, structure 15","(3aS,3bR,7aS,8aR)-7a-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydro -3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-3b-ol","","- C14 H22 O8 -","- C14 H22 O8 -","- C14 H22 O8 -","1","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0848","0.0607","","","0.1485","0.1668","","","","","","0.971","","","","has coordinates","234396","2020-10-21","18:00:00",""
"4036212","10.6029","0.0015","8.4121","0.0011","13.0245","0.0017","90","","109.451","0.005","90","","1095.4","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","epoxide; Structure 10","(3aR,5S,6S,6aR)-6-benzyloxy-5- (benzyloxymethyl)-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-6,6a-dihydro-3aH-furo[2,3 -d][1,3]dioxole","","- C24 H28 O6 -","- C24 H28 O6 -","- C48 H56 O12 -","2","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0516","0.0379","","","0.1003","0.1165","","","","","","1.125","","","","has coordinates","234398","2020-10-21","18:00:00",""
"4036213","9.555","0.008","17.226","0.011","18.84","0.014","90","","98.07","0.013","90","","3070","4","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.5 H11 B Cl F2 N5 O2 -","- C13.5 H11 B Cl F2 N5 O2 -","- C108 H88 B8 Cl8 F16 N40 O16 -","8","2","","Barbon, Stephanie M.; Staroverov, Viktor N.; Gilroy, Joe B.","Effect of Extended π Conjugation on the Spectroscopic and Electrochemical Properties of Boron Difluoride Formazanate Complexes.","The Journal of organic chemistry","2015","80","10","5226","5235","10.1021/acs.joc.5b00620","","","0.71073","MoKα","","0.0811","0.0588","","","0.173","0.1901","","","","","","1.025","","","","has coordinates","234399","2020-10-21","18:00:00",""
"4036214","10.845","0.003","11.246","0.002","15.472","0.003","90","","107.92","0.02","90","","1795.5","0.7","198","2","198","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Schuster, Christian; Julich-Gruner, Konstanze K; Schnitzler, Heinrich; Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Total syntheses of murrayamine E, I, and K.","The Journal of organic chemistry","2015","80","11","5666","5673","10.1021/acs.joc.5b00630","","x-ray","0.71073","MoKα","","0.0913","0.049","","","0.101","0.1227","","","","","","1.07","","","","has coordinates","234401","2020-10-21","18:00:00",""
"4036215","10.0827","0.0005","15.8074","0.0008","19.5993","0.001","101.459","0.001","93.232","0.001","105.545","0.001","2929.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H26 F4 -","- C40 H26 F4 -","- C160 H104 F16 -","4","2","","Roche, Alex J.; Abboud, Khalil A.; Dolbier, Jr, William R","The Unexpected Formation of 9,9,10,10-Tetrafluoro-1,2,4,12-tetraphenyl[2.2]paracyclophan-1-ene.","The Journal of organic chemistry","2015","80","10","5355","5358","10.1021/acs.joc.5b00657","","","0.71073","MoKα","","0.0742","0.0407","","","0.0965","0.1054","","","","","","0.9","","","","has coordinates","234403","2020-10-21","18:00:00",""
"4036216","32.791","0.002","32.791","0.002","7.4776","0.0003","90","","90","","120","","6963.1","0.7","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C288 H360 O72 -","18","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.0974","0.0422","","","0.0865","0.1064","","","","","","0.985","","","","has coordinates","234404","2020-10-21","18:00:00",""
"4036217","8.169","0.0004","8.3603","0.0004","18.233","0.0009","90","","90","","90","","1245.23","0.11","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.04","0.0323","","","0.081","0.0866","","","","","","1.032","","","","has coordinates","234406","2020-10-21","18:00:00",""
"4036218","8.221","0.004","9.119","0.004","14.037","0.006","101.304","0.004","97.129","0.005","108.535","0.005","958.5","0.8","293","2","293","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C22 H22 N4 -","- C22 H22 N4 -","- C44 H44 N8 -","2","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.087","0.0593","","","0.1729","0.1891","","","","","","0.952","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036219","16.391","0.003","16.391","0.003","11.774","0.002","90","","90","","90","","3163.3","1","293","2","293","2","","","","","","","see text","5","P -4 21 c","P -4 2n","114","","","","- C18 H15 F N2 O3 -","- C18 H15 F N2 O3 -","- C144 H120 F8 N16 O24 -","8","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.0393","0.0353","","","0.0816","0.0851","","","","","","1.113","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036220","17.736","0.008","11.698","0.005","18.495","0.008","90","","93.596","0.007","90","","3830","3","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 Cl2 N4 O7 -","- C39 H40 Cl2 N4 O7 -","- C156 H160 Cl8 N16 O28 -","4","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.1163","0.1008","","","0.2417","0.2536","","","","","","1.164","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036221","9.639","0.0014","11.5016","0.0015","11.5355","0.0017","62.617","0.008","79.921","0.011","66.237","0.009","1039.2","0.3","293","2","293","2","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H19 Cl F N O2 S -","- C23 H19 Cl F N O2 S -","- C46 H38 Cl2 F2 N2 O4 S2 -","2","1","","Ravi, Makthala; Chauhan, Parul; Kant, Ruchir; Shukla, Sanjeev K.; Yadav, Prem P.","Transition-Metal-Free C-3 Arylation of Quinoline-4-ones with Arylhydrazines.","The Journal of organic chemistry","2015","80","10","5369","5376","10.1021/acs.joc.5b00739","","","0.71075","MoKα","","0.0512","0.0421","","","0.1223","0.1279","","","","","","1.058","","","","has coordinates","234409","2020-10-21","18:00:00",""
"4036222","17.061","0.0005","17.2598","0.0007","23.1595","0.0006","90","","95.062","0.001","90","","6793.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C138 H168 F6 O44 P4 S2 Y2 -","- C114 H112 F6 O44 P4 S2 Y2 -","- C228 H224 F12 O88 P8 S4 Y4 -","2","1","","Deng, Yongming; Karunaratne, Chamini V.; Csatary, Erika; Tierney, David L.; Wheeler, Kraig; Wang, Hong","Chiral Bimetallic Catalysts Derived from Chiral Metal Phosphates: Enantioselective Three-Component Asymmetric Aza-Diels-Alder Reactions of Cyclic Ketones.","The Journal of organic chemistry","2015","80","16","7984","7993","10.1021/acs.joc.5b00895","","","1.54178","CuKα","","0.1205","0.1152","","","0.3054","0.3176","","","","","","1.484","","","","has coordinates,has disorder","234411","2020-10-21","18:00:00",""
"4036223","11.3709","0.0003","13.2507","0.0003","17.985","0.0004","90","","94.6808","0.0012","90","","2700.8","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 Cl2 F N3 O5 -","- C29 H21 Cl2 F N3 O5 -","- C116 H84 Cl8 F4 N12 O20 -","4","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0638","0.0465","","","0.1113","0.1253","","","","","","1.007","","","","has coordinates,has disorder","234413","2020-10-21","18:00:00",""
"4036224","8.2969","0.0016","10.088","0.002","15.55","0.003","107.405","0.005","90.731","0.005","93.016","0.005","1239.7","0.4","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N4 O4 -","- C22 H15 Br N4 O4 -","- C44 H30 Br2 N8 O8 -","2","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0767","0.0521","","","0.1292","0.1366","","","","","","1.073","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036225","13.0814","0.0004","14.4208","0.0005","14.7793","0.0005","70.052","0.002","80.005","0.002","72.616","0.002","2493.06","0.15","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N4 O4 S -","- C28 H18 N4 O4 S -","- C112 H72 N16 O16 S4 -","4","2","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.057","0.0443","","","0.1136","0.1197","","","","","","1.082","","","","has coordinates,has disorder","234413","2020-10-21","18:00:00",""
"4036226","24.07","0.0012","24.07","0.0012","23.369","0.0011","90","","90","","120","","11725.3","1","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H23 Br N4 O2 -","- C31 H23 Br N4 O2 -","- C558 H414 Br18 N72 O36 -","18","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0634","0.0464","","","0.1251","0.1313","","","","","","1.057","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036227","12.8254","0.0003","12.7608","0.0003","18.3146","0.0005","90","","102.422","0.001","90","","2927.24","0.13","100","2","100.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 Br N5 O2 -","- C31 H19 Br N5 O2 -","- C124 H76 Br4 N20 O8 -","4","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0577","0.0395","","","0.1031","0.1095","","","","","","1.096","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036228","10.3326","0.0007","19.2076","0.0009","11.4445","0.0007","90","","105.976","0.006","90","","2183.6","0.2","223","0.1","223","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C104 H84 N4 O12 S4 -","4","1","","Cai, Zhong-Jian; Yang, Chao; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Regioselective C-H Acylation of Biaryl-2-amines.","The Journal of organic chemistry","2015","80","16","7928","7936","10.1021/acs.joc.5b00962","","","0.71073","MoKα","","0.0704","0.0488","","","0.1405","0.1596","","","","","","1.018","","","","has coordinates","234416","2020-10-21","18:00:00",""
"4036229","12.3918","0.0004","12.0736","0.0004","34.0914","0.0011","90","","94.29","0.001","90","","5086.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 O13 -","- C51 H60 O13 -","- C204 H240 O52 -","4","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1581","0.0713","","","0.2031","0.2326","","","","","","0.912","","","","has coordinates","234418","2020-10-21","18:00:00",""
"4036230","12.6946","0.0008","30.8143","0.0019","18.2906","0.0011","90","","93.275","0.002","90","","7143.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H134 F12 N2 O26 P2 -","- C114 H134 F12 N2 O26 P2 -","- C228 H268 F24 N4 O52 P4 -","2","0.5","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1489","0.0998","","","0.2943","0.3235","","","","","","1.078","","","","has coordinates","234419","2020-10-21","18:00:00",""
"4036231","16.259","0.002","17.706","0.003","37.855","0.006","90","","96.191","0.002","90","","10834","3","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H70 N2 O14 -","- C57 H68 N2 O14 -","- C456 H544 N16 O112 -","8","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1684","0.0982","","","0.3084","0.3512","","","","","","1.071","","","","has coordinates,has disorder","234421","2020-10-21","18:00:00",""
"4036232","10.8366","0.0004","13.7308","0.0005","19.8398","0.0008","98.192","0.001","94.995","0.001","98.211","0.001","2874.55","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 Cl3 N2 O13 -","- C58 H60 Cl3 N2 O13 -","- C116 H120 Cl6 N4 O26 -","2","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1382","0.0949","","","0.2609","0.306","","","","","","1.037","","","","has coordinates","234424","2020-10-21","18:00:00",""
"4036233","9.1591","0.0006","10.9078","0.0006","13.7682","0.0009","86.365","0.005","73.505","0.005","73.351","0.005","1263.38","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 B F2 N3 -","- C32 H20 B F2 N3 -","- C64 H40 B2 F4 N6 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso Alkynylated Tetraphenylethylene (TPE) and 2,3,3-Triphenylacrylonitrile (TPAN) Substituted BODIPYs.","The Journal of organic chemistry","2015","80","16","8018","8025","10.1021/acs.joc.5b01117","","","0.71073","MoKα","","0.0715","0.0462","","","0.1063","0.1235","","","","","","1.033","","","","has coordinates","234425","2020-10-21","18:00:00",""
"4036234","8.4067","0.0006","12.6497","0.0006","13.5043","0.0006","82.872","0.004","83.376","0.005","88.352","0.005","1415.31","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 B F2 N2 -","- C37 H25 B F2 N2 -","- C74 H50 B2 F4 N4 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso Alkynylated Tetraphenylethylene (TPE) and 2,3,3-Triphenylacrylonitrile (TPAN) Substituted BODIPYs.","The Journal of organic chemistry","2015","80","16","8018","8025","10.1021/acs.joc.5b01117","","","0.71073","MoKα","","0.07","0.0472","","","0.1088","0.1266","","","","","","1.054","","","","has coordinates","234425","2020-10-21","18:00:00",""
"4036235","14.4318","0.0004","14.4318","0.0004","5.3189","0.0002","90","","90","","90","","1107.8","0.06","90","0.5","90","0.5","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C9 H4 B Cl3 F2 N2 -","- C9 H4 B Cl3 F2 N2 -","- C36 H16 B4 Cl12 F8 N8 -","4","0.25","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0323","0.0285","","","0.0741","0.0763","","","","","","1.13","","","","has coordinates","234427","2020-10-21","18:00:00",""
"4036236","9.0674","0.0016","11.2143","0.0017","12.8518","0.0019","93.75","0.004","93.445","0.004","91.71","0.004","1300.9","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C32 H19 B Cl2 F2 N2 O -","- C32 H19 B Cl2 F2 N2 O -","- C64 H38 B2 Cl4 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.063","0.0427","","","0.1003","0.1101","","","","","","1.024","","","","has coordinates","234428","2020-10-21","18:00:00",""
"4036237","7.6639","0.0002","13.5236","0.0003","9.0732","0.0002","90","","101.227","0.001","90","","922.38","0.04","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 B Cl F2 N2 -","- C9 H6 B Cl F2 N2 -","- C36 H24 B4 Cl4 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0426","0.0318","","","0.084","0.0893","","","","","","1.064","","","","has coordinates","234430","2020-10-21","18:00:00",""
"4036238","7.677","0.003","10.992","0.004","11.053","0.001","74.562","0.011","76.37","0.02","84.892","0.015","873.4","0.5","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Cl4 F2 N2 O -","- C16 H9 B Cl4 F2 N2 O -","- C32 H18 B2 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1468","0.0685","","","0.1163","0.1445","","","","","","1.07","","","","has coordinates","234431","2020-10-21","18:00:00",""
"4036239","13.191","0.002","17.593","0.003","22.536","0.005","90","","94.028","0.012","90","","5217","1.7","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 B Cl2 F2 N2 O3 -","- C30 H23 B Cl2 F2 N2 O3 -","- C240 H184 B8 Cl16 F16 N16 O24 -","8","2","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1148","0.0522","","","0.1104","0.1331","","","","","","0.993","","","","has coordinates","234433","2020-10-21","18:00:00",""
"4036240","7.6289","0.0006","8.1807","0.0007","11.2033","0.0009","68.596","0.002","86.853","0.002","63.378","0.002","576.98","0.08","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 H3 B Cl4 F2 N2 -","- C9 H3 B Cl4 F2 N2 -","- C18 H6 B2 Cl8 F4 N4 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0584","0.0454","","","0.1212","0.1306","","","","","","1.055","","","","has coordinates","234434","2020-10-21","18:00:00",""
"4036241","9.4931","0.0004","9.6953","0.0004","13.8865","0.0006","100.657","0.003","94.187","0.002","94.041","0.002","1248.09","0.09","160","0.5","160","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 H2 B Cl5 F2 N2 -","- C9 H2 B Cl5 F2 N2 -","- C36 H8 B4 Cl20 F8 N8 -","4","2","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0631","0.0351","","","0.0686","0.0764","","","","","","1.018","","","","has coordinates","234436","2020-10-21","18:00:00",""
"4036242","9.8021","0.0004","10.0817","0.0004","10.865","0.0004","95.24","0.002","112.368","0.002","118.931","0.002","817.14","0.06","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C15 H7 B Cl4 F2 N2 O -","- C15 H7 B Cl4 F2 N2 O -","- C30 H14 B2 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0408","0.0317","","","0.081","0.0863","","","","","","1.034","","","","has coordinates","234437","2020-10-21","18:00:00",""
"4036243","24.743","0.002","16.398","0.002","18.7139","0.0019","90","","109.248","0.008","90","","7168.5","1.3","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H37 B F2 N2 O5 -","- C44 H37 B F2 N2 O5 -","- C352 H296 B8 F16 N16 O40 -","8","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","1.54184","CuKα","","0.0614","0.0416","","","0.1094","0.1237","","","","","","1.023","","","","has coordinates","234439","2020-10-21","18:00:00",""
"4036244","17.4371","0.0008","10.7905","0.0008","7.9425","0.0004","90","","95.817","0.004","90","","1486.73","0.15","90","0.5","90","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H5 B Cl4 F2 N2 S -","- C13 H5 B Cl4 F2 N2 S -","- C52 H20 B4 Cl16 F8 N8 S4 -","4","0.5","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0309","0.0259","","","0.0708","0.0739","","","","","","1.08","","","","has coordinates,has disorder","234441","2020-10-21","18:00:00",""
"4036245","10.411","0.003","15.479","0.004","28.81","0.008","78.515","0.01","89.442","0.01","89.434","0.009","4549","2","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C24.5 H15 B Cl2 F2 N2 S3 -","- C24.5 H15 B Cl2 F2 N2 S3 -","- C196 H120 B8 Cl16 F16 N16 S24 -","8","4","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1696","0.0879","","","0.1977","0.2447","","","","","","1.017","","","","has coordinates,has disorder","234443","2020-10-21","18:00:00",""
"4036246","20.337","0.002","10.788","0.001","13.697","0.002","90","","120.434","0.01","90","","2591","0.6","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H17 B F2 N2 S5 -","- C29 H17 B F2 N2 S5 -","- C116 H68 B4 F8 N8 S20 -","4","0.5","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0548","0.0407","","","0.1027","0.1117","","","","","","1.037","","","","has coordinates,has disorder","234445","2020-10-21","18:00:00",""
"4036247","5.5897","0.0004","16.686","0.0011","9.1104","0.0006","90","","97.632","0.003","90","","842.2","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O8 -","- C16 H22 O8 -","- C32 H44 O16 -","2","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0237","0.0224","","","0.0559","0.0565","","","","","","1.047","","","","has coordinates","234447","2020-10-21","18:00:00",""
"4036248","5.8884","0.0007","14.8186","0.0016","19.816","0.002","90","","90","","90","","1729.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22.25 O7.13 -","- C16 H22.26 O7.13 -","- C64 H89.04 O28.52 -","4","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0414","0.0307","","","0.0644","0.0675","","","","","","1.019","","","","has coordinates","234448","2020-10-21","18:00:00",""
"4036249","6.7849","0.0004","8.4596","0.0005","13.1987","0.0008","104.958","0.002","99.8443","0.0019","92.014","0.002","718.62","0.07","104","2","104","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C32 H40 O8 S2 -","2","1","","Lu, Ping; Herrmann, Aaron T.; Zakarian, Armen","Toward the Synthesis of Nuphar Sesquiterpene Thioalkaloids: Stereodivergent Rhodium-Catalyzed Synthesis of the Thiolane Subunit.","The Journal of organic chemistry","2015","80","15","7581","7589","10.1021/acs.joc.5b01177","","","0.71073","MoKα","","0.0388","0.0328","","","0.0828","0.0867","","","","","","0.926","","","","has coordinates","234449","2020-10-21","18:00:00",""
"4036250","8.9865","0.0004","19.5582","0.0008","11.7897","0.0004","90","","91.441","0.004","90","","2071.5","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C72 H120 N8 O16 -","4","1","","Le Jeune, Karel; Chevallier-Michaud, Sabine; Gatineau, David; Giordano, Laurent; Tenaglia, Alphonse; Clavier, Hervé","Preparation of Vinylcyclopropanes by Sodium Mediated Reductive Isomerization of Methylenecyclopropanes.","The Journal of organic chemistry","2015","80","17","8821","8829","10.1021/acs.joc.5b01205","","x-ray","1.54184","CuKα","","0.0938","0.0885","","","0.2391","0.2509","","","","","","1.147","","","","has coordinates","234451","2020-10-21","18:00:00",""
"4036251","14.439","0.006","16.616","0.006","15.497","0.006","90","","97.859","0.009","90","","3683","2","90","","90","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C42.85 H41.7 N6 O5 -","- C42.85 H41.7 N6 O5 -","- C171.4 H166.8 N24 O20 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Soluble Tetraaminotriptycene Precursors.","The Journal of organic chemistry","2015","80","16","8390","8397","10.1021/acs.joc.5b01221","","","0.71073","MoKα","","0.1001","0.0683","","0.1917","0.1689","0.1917","","","","","","0.9585","","","","has coordinates,has disorder","234453","2020-10-21","18:00:00",""
"4036252","8.1336","0.0008","16.8844","0.0017","25.54","0.003","90","","90","","90","","3507.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C168 H168 N8 O24 -","8","1","","Sha, Feng; Tao, Yuan; Tang, Chen-Yu; Zhang, Fei; Wu, Xin-Yan","Construction of Benzo[c]carbazoles and Their Antitumor Derivatives through the Diels-Alder Reaction of 2-Alkenylindoles and Arynes.","The Journal of organic chemistry","2015","80","16","8122","8133","10.1021/acs.joc.5b01223","","","0.71073","MoKα","","0.0668","0.0506","","","0.1264","0.1408","","","","","","1.021","","","","has coordinates","234455","2020-10-21","18:00:00",""
"4036253","10.7088","0.0006","44.986","0.002","11.2096","0.0006","90","","91.109","0.003","90","","5399.2","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H114 N9 O39 -","- C110 H114 N9 O39 -","- C220 H228 N18 O78 -","2","1","","Shao, Chang-Lun; Linington, Roger G.; Balunas, Marcy J.; Centeno, Argelis; Boudreau, Paul; Zhang, Chen; Engene, Niclas; Spadafora, Carmenza; Mutka, Tina S.; Kyle, Dennis E.; Gerwick, Lena; Wang, Chang-Yun; Gerwick, William H.","Bastimolide A, a Potent Antimalarial Polyhydroxy Macrolide from the Marine Cyanobacterium Okeania hirsuta.","The Journal of organic chemistry","2015","80","16","7849","7855","10.1021/acs.joc.5b01264","","","1.54178","CuKα","","0.1143","0.1129","","","0.2987","0.2996","","","","","","1.089","","","","has coordinates","234458","2020-10-21","18:00:00",""
"4036254","5.8748","0.0007","6.6516","0.0008","7.3831","0.0009","67.621","0.002","84.526","0.002","66.767","0.002","244.64","0.05","293","1","293","1","","","","","","","","3","P 1","P 1","1","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C11 H14 O3 -","1","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0386","0.0386","","","0.0941","0.0941","","","","","","1.115","","","","has coordinates","234460","2020-10-21","18:00:00",""
"4036255","8.064","0.001","8.364","0.001","18.272","0.003","90","","90","","90","","1232.4","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 I O2 -","- C12 H17 I O2 -","- C48 H68 I4 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0302","0.0299","","","0.0653","0.0654","","","","","","1.261","","","","has coordinates","234462","2020-10-21","18:00:00",""
"4036256","6.706","0.001","7.429","0.001","11.243","0.002","95.326","0.002","93.482","0.002","92.823","0.002","555.82","0.15","293","1","293","1","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0851","0.081","","","0.1663","0.1686","","","","","","1.315","","","","has coordinates","234464","2020-10-21","18:00:00",""
"4036257","12.494","0.002","6.409","0.001","14.998","0.003","90","","109.238","0.004","90","","1133.9","0.3","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.1961","0.1553","","","0.2902","0.3103","","","","","","1.327","","","","has coordinates","234466","2020-10-21","18:00:00",""
"4036258","9.5484","0.0007","10.4166","0.0007","14.268","0.001","90","","97.373","0.001","90","","1407.39","0.17","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 I O2 -","- C13 H19 I O2 -","- C52 H76 I4 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0558","0.0529","","","0.1031","0.1045","","","","","","1.213","","","","has coordinates","234467","2020-10-21","18:00:00",""
"4036259","16.1326","0.0013","19.4409","0.0015","26.943","0.002","90","","90","","90","","8450.2","1.1","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C372 H296 Cl16 N24 Ni8 O36 -","8","2","","Wang, Shuni; Zhou, Shengbin; Wang, Jiang; Nian, Yong; Kawashima, Aki; Moriwaki, Hiroki; Aceña, José L; Soloshonok, Vadim A.; Liu, Hong","Chemical Dynamic Thermodynamic Resolution and S/R Interconversion of Unprotected Unnatural Tailor-made α-Amino Acids.","The Journal of organic chemistry","2015","80","20","9817","9830","10.1021/acs.joc.5b01292","","","0.71073","MoKα","","0.1511","0.0658","","","0.132","0.1524","","","","","","0.88","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4036260","10.913","0.003","19.779","0.004","10.148","0.002","90","","117.533","0.011","90","","1942.4","0.8","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Guo, Biao; Zheng, Liyao; Zhang, Lei; Hua, Ruimao","Synthesis of Benzofulvene Derivatives from Diarylacetylenes via Pd(II)-Catalyzed Alkyne-Directed C(sp(2))-H Bond Activation.","The Journal of organic chemistry","2015","80","16","8430","8434","10.1021/acs.joc.5b01304","","","0.71073","MoKα","","0.0863","0.0469","","","0.0825","0.098","","","","","","1.003","","","","has coordinates","234472","2020-10-21","18:00:00",""
"4036261","8.5158","0.0007","6.0532","0.0005","11.8232","0.001","90","","95.954","0.003","90","","606.17","0.09","120","2","120","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0537","0.0531","","","0.1454","0.1471","","","","","","1.118","","","","has coordinates,has disorder","234474","2020-10-21","18:00:00",""
"4036262","7.3209","0.0002","6.0935","0.0001","26.7101","0.0006","90","","92.0063","0.0007","90","","1190.8","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0363","0.0358","","","0.093","0.0936","","","","","","1.081","","","","has coordinates,has disorder","234475","2020-10-21","18:00:00",""
"4036263","6.7876","0.0002","21.2855","0.0005","13.9033","0.0004","90","","94.6","0.0014","90","","2002.24","0.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0428","0.0387","","","0.0968","0.0999","","","","","","1.026","","","","has coordinates","234476","2020-10-21","18:00:00",""
"4036264","15.633","0.004","24.88","0.006","17.612","0.005","90","","103.172","0.004","90","","6670","3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.25 H18.25 Cl1.91 F10 N4 O0.39 -","- C35.247 H18.247 Cl1.908 F10 N4 O0.389 -","- C281.976 H145.976 Cl15.264 F80 N32 O3.112 -","8","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.1324","0.0935","","","0.2767","0.3009","","","","","","1.057","","","","has coordinates,has disorder","234478","2020-10-21","18:00:00",""
"4036265","14.108","0.003","24.897","0.005","15.092","0.003","90","","114.461","0.003","90","","4825.2","1.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl4 F10 N4 O6 S2 -","- C36 H24 Cl4 F10 N4 O6 S2 -","- C144 H96 Cl16 F40 N16 O24 S8 -","4","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.113","0.0961","","","0.2547","0.2699","","","","","","1.016","","","","has coordinates,has disorder","234479","2020-10-21","18:00:00",""
"4036266","7.6644","0.0011","14.923","0.0006","16.6128","0.0015","68.279","0.011","87.205","0.018","75.555","0.017","1707.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H12 Cl6 F10 N4 Pd -","- C34 H12 Cl6 F10 N4 Pd -","- C68 H24 Cl12 F20 N8 Pd2 -","2","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0576","0.0553","","","0.1433","0.1452","","","","","","1.009","","","","has coordinates","234481","2020-10-21","18:00:00",""
"4036267","21.057","0.004","21.615","0.004","13.814","0.003","90","","104.023","0.005","90","","6100","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H19 F10 N4 Pd -","- C36 H19 F10 N4 Pd -","- C288 H152 F80 N32 Pd8 -","8","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0487","0.0433","","","0.1251","0.1292","","","","","","1.007","","","","has coordinates","234483","2020-10-21","18:00:00",""
"4036268","7.5903","0.0018","14.35","0.0016","16.671","0.005","66.46","0.02","86.21","0.03","80.53","0.02","1642","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H32 Cl8 F20 N8 -","- C68 H32 Cl8 F20 N8 -","- C68 H32 Cl8 F20 N8 -","1","0.5","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0729","0.07","","","0.2066","0.2122","","","","","","1.028","","","","has coordinates","234485","2020-10-21","18:00:00",""
"4036269","7.9798","0.0012","16.263","0.003","11.1573","0.0017","90","","101.434","0.0018","90","","1419.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl3 N O2 -","- C14 H14 Cl3 N O2 -","- C56 H56 Cl12 N4 O8 -","4","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0366","0.0288","","","0.067","0.0711","","","","","","1.022","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036270","11.1805","0.001","9.3123","0.0008","16.1492","0.0014","90","","100.881","0.001","90","","1651.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0427","0.036","","","0.0963","0.102","","","","","","1.03","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036271","14.3724","0.0017","15.465","0.0019","11.7888","0.0014","90","","90","","90","","2620.3","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H12 Cl3 N O2 -","- C11 H12 Cl3 N O2 -","- C88 H96 Cl24 N8 O16 -","8","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.024","0.0226","","","0.0588","0.0599","","","","","","1.023","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036272","10.143","0.0017","14.482","0.003","10.4728","0.0018","90","","114.874","0.002","90","","1395.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl4 N O2 -","- C11 H11 Cl4 N O2 -","- C44 H44 Cl16 N4 O8 -","4","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0282","0.026","","","0.0675","0.0688","","","","","","1.06","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036273","7.1795","0.0014","10.267","0.002","13.022","0.003","73.24","0.03","86.19","0.03","71.15","0.03","869.4","0.4","183","","183","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C44 H30 Br2 N4 O2 -","2","1","","Ding, Zong-Cang; Tang, Hai-Tao; Li, Ren-Hao; Ju, Lu-Chuan; Zhan, Zhuang-Ping","Synthesis of 4-Arylidenepyrazolones by a Gold-Catalyzed Cyclization/Arylidene Group Transfer Cascade of N-Propioloyl Hydrazones.","The Journal of organic chemistry","2015","80","18","9307","9313","10.1021/acs.joc.5b01366","","","0.71073","MoKα","","0.1359","0.0962","","","0.2231","0.2897","","","","","","1.435","","","","has coordinates","234489","2020-10-21","18:00:00",""
"4036274","14.9074","0.0006","7.1186","0.0003","26.7266","0.0011","90","","90","","90","","2836.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 S2 -","- C16 H9 N3 S2 -","- C128 H72 N24 S16 -","8","1","","Mitra, Shubhanjan; Ghosh, Monoranjan; Mishra, Subhajit; Hajra, Alakananda","Metal-Free Thiocyanation of Imidazoheterocycles through Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2015","80","16","8275","8281","10.1021/acs.joc.5b01369","","","0.71073","MoKα","","0.0827","0.0642","","","0.2326","0.25","","","","","","2.003","","","","has coordinates","234491","2020-10-21","18:00:00",""
"4036275","5.6891","0.0005","10.2427","0.0009","15.0808","0.0013","107.955","0.001","91.44","0.002","94.341","0.002","832.5","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Cl3 N0 O3 S2 -","- C15 H11 Cl3 O3 S2 -","- C30 H22 Cl6 O6 S4 -","2","1","","Luo, Hongmei; Pan, Ling; Xu, Xianxiu; Liu, Qun","Friedel-Crafts Coupling of Electron-Deficient Benzoylacetones Tuned by Remote Electronic Effects.","The Journal of organic chemistry","2015","80","16","8282","8289","10.1021/acs.joc.5b01371","","","0.71073","MoKα","","0.0645","0.0531","","","0.1343","0.1493","","","","","","1.055","","","","has coordinates","234493","2020-10-21","18:00:00",""
"4036276","5.8738","0.0007","14.111","0.0017","21.502","0.003","90","","90","","90","","1782.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.042","0.0352","","","0.0798","0.0828","","","","","","1.001","","","","has coordinates","234495","2020-10-21","18:00:00",""
"4036277","7.9265","0.0014","10.5847","0.0019","23.895","0.004","90","","90","","90","","2004.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br N2 O3 -","- C21 H25 Br N2 O3 -","- C84 H100 Br4 N8 O12 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0383","0.0331","","","0.0773","0.0794","","","","","","1.004","","","","has coordinates","234497","2020-10-21","18:00:00",""
"4036278","6.7867","0.0004","7.9287","0.0005","33.718","0.002","90","","90","","90","","1814.36","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0446","0.0364","","","0.0826","0.086","","","","","","1.01","","","","has coordinates","234498","2020-10-21","18:00:00",""
"4036279","8.8195","0.0007","16.5259","0.0013","20.684","0.002","88.992","0.004","89.512","0.004","82.169","0.004","2986.1","0.4","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C32 H32 N3 O4.5 S3 -","- C32 H32 N2 O4.5 S3 -","- C128 H128 N8 O18 S12 -","4","4","","Morikawa, Takahiro; Harada, Shinji; Nishida, Atsushi","Chiral Holmium Complex-Catalyzed Synthesis of Hydrocarbazole from Siloxyvinylindole and Its Application to the Enantioselective Total Synthesis of (-)-Minovincine.","The Journal of organic chemistry","2015","80","17","8859","8867","10.1021/acs.joc.5b01393","","","1.54187","CuKα","","","0.1577","","","","0.4305","","","","","","1.082","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036280","8.0665","0.0005","16.2776","0.0008","32.7774","0.0016","90","","90","","90","","4303.8","0.4","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C176 H192 N16 O32 S16 -","8","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.068","","","","0.188","","","","","","1.108","","","","has coordinates","234502","2020-10-21","18:00:00",""
"4036281","12.9392","0.0006","8.2976","0.0006","19.8627","0.001","90","","107.489","0.0014","90","","2034","0.2","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O4 S -","- C20 H28 N2 O4 S -","- C80 H112 N8 O16 S4 -","4","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.0494","","","","0.0851","","","","","","1.389","","","","has coordinates","234503","2020-10-21","18:00:00",""
"4036282","13.0271","0.0005","13.1056","0.0004","15.6355","0.0005","79.606","0.003","68.137","0.003","67.559","0.003","2287.54","0.15","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N3 O3 -","- C29 H24 F N3 O3 -","- C116 H96 F4 N12 O12 -","4","2","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.057","0.0403","","","0.0879","0.0968","","","","","","1.017","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036283","9.5387","0.0005","12.5979","0.0006","19.8057","0.0011","90","","90","","90","","2380","0.2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N3 O3 -","- C29 H24 Cl N3 O3 -","- C116 H96 Cl4 N12 O12 -","4","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.0526","0.0391","","","0.0768","0.0828","","","","","","1.033","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036284","8.6262","0.0002","9.9045","0.0003","14.3555","0.0005","95.379","0.001","95.98","0.002","92.811","0.001","1212.32","0.06","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cl N3 O3 -","- C29 H24 Cl N3 O3 -","- C58 H48 Cl2 N6 O6 -","2","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0459","0.0358","","","0.0854","0.0919","","","","","","1.03","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036285","8.865","0.0007","10.6628","0.0009","14.213","0.0011","109.553","0.008","100.777","0.007","102.741","0.007","1184.09","0.19","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.0742","0.0472","","","0.0932","0.1044","","","","","","1.02","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036286","16.1648","0.0017","17.0273","0.0014","20.075","0.003","78.595","0.012","76.463","0.012","73.597","0.012","5101.8","1.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H80 N3 -","- C84 H74.6667 N4 -","- C252 H224 N12 -","3","1.5","","Terao, Jun; Ohsawa, Masami; Masai, Hiroshi; Kurashige, Yuki; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units.","The Journal of organic chemistry","2015","80","17","8874","8880","10.1021/acs.joc.5b01414","","","0.7107","MoKα","","","0.1068","","","","0.3031","","","","","","1.09","","","","has coordinates","234507","2020-10-21","18:00:00",""
"4036287","9.739","0.003","12.21","0.003","20.31","0.005","98.441","0.003","100.946","0.004","96.794","0.004","2318.8","1.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 Cl2 N6 -","- C106 H104 Cl4 N12 -","- C106 H104 Cl4 N12 -","1","0.5","","Terao, Jun; Ohsawa, Masami; Masai, Hiroshi; Kurashige, Yuki; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units.","The Journal of organic chemistry","2015","80","17","8874","8880","10.1021/acs.joc.5b01414","","","0.7107","MoKα","","","0.0875","","","","0.3071","","","","","","1.043","","","","has coordinates,has disorder","286245","2023-09-06","15:38:55",""
"4036288","14.3132","0.0002","6.5406","0.0001","22.9007","0.0003","90","","90.404","0.001","90","","2143.84","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N3 O3 -","- C25 H22 F N3 O3 -","- C100 H88 F4 N12 O12 -","4","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0409","0.0367","","","0.0896","0.0938","","","","","","1.053","","","","has coordinates","234511","2020-10-21","18:00:00",""
"4036289","13.0236","0.0005","20.7843","0.0016","22.7086","0.0018","90","","90","","90","","6146.9","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 N2 O5 S2 -","- C34 H35 N2 O5 S2 -","- C272 H280 N16 O40 S16 -","8","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","CuKα","","0.1652","0.0899","","","0.1732","0.2159","","","","","","0.976","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036290","5.3134","0.0002","8.1507","0.0002","12.0605","0.0004","90","","93.485","0.003","90","","521.35","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0328","0.0306","","","0.073","0.0743","","","","","","1.08","","","","has coordinates","234515","2020-10-21","18:00:00",""
"4036291","9.9084","0.0006","10.3825","0.0007","17.9777","0.0011","106.418","0.0016","96.8036","0.0016","102.945","0.0016","1695.94","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4b in manuscript","","","- C33 H36 Cl3 N O9 -","- C33 H36 Cl3 N O9 -","- C66 H72 Cl6 N2 O18 -","2","1","","Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael","An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.","The Journal of organic chemistry","2015","80","17","8881","8886","10.1021/acs.joc.5b01426","","","0.71073","MoKα","","0.0798","0.0553","","","0.1285","0.1423","","","","","","1.026","","","","has coordinates,has disorder","234518","2020-10-21","18:00:00",""
"4036292","9.7517","0.0011","22.499","0.003","32.974","0.004","90","","90","","90","","7234.6","1.5","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4d in manuscript","","","- C36.5 H43.5 Cl1.5 N O9 -","- C36.5 H43.5 Cl1.5 N O9 -","- C292 H348 Cl12 N8 O72 -","8","2","","Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael","An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.","The Journal of organic chemistry","2015","80","17","8881","8886","10.1021/acs.joc.5b01426","","","0.71073","MoKα","","0.1023","0.0771","","","0.2004","0.2191","","","","","","1.063","","","","has coordinates,has disorder","234518","2020-10-21","18:00:00",""
"4036293","8.7849","0.0007","11.44","0.0009","17.157","0.0014","90","","90","","90","","1724.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Br N2 O3 S -","- C15 H23 Br N2 O3 S -","- C60 H92 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0247","0.0246","","","0.0682","0.0684","","","","","","1.053","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036294","9.6663","0.0019","13.656","0.003","14.923","0.003","90","","90","","90","","1969.9","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br N2 O3 S -","- C18 H27 Br N2 O3 S -","- C72 H108 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0213","0.021","","","0.0516","0.0518","","","","","","1.044","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036295","12.5299","0.0008","12.5299","0.0008","53.989","0.004","90","","90","","120","","7340.6","0.9","100","2","100","2","","","","","","","","7","P 61","P 61","169","","","","- C22 H29 Cl2 F N2 O3 S -","- C22 H29 Cl2 F N2 O3 S -","- C264 H348 Cl24 F12 N24 O36 S12 -","12","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0607","0.0572","","","0.1443","0.1467","","","","","","1.05","","","","has coordinates,has disorder","234520","2020-10-21","18:00:00",""
"4036296","12.9062","0.001","13.2212","0.0011","22.5828","0.0018","90","","90","","90","","3853.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H24 Br Cl N2 O3 S -","- C15.5 H24 Br Cl N2 O3 S -","- C124 H192 Br8 Cl8 N16 O24 S8 -","8","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0252","0.0243","","","0.0615","0.0621","","","","","","1.045","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036297","10.0722","0.0015","11.2137","0.0016","13.464","0.002","90","","101.46","0.002","90","","1490.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 O2 S -","- C15 H19 Br N2 O2 S -","- C60 H76 Br4 N8 O8 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0279","0.0278","","","0.0744","0.0747","","","","","","1.074","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036298","12.5348","0.0004","14.0822","0.0005","18.0788","0.0006","90","","90","","90","","3191.23","0.19","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N O8 P S -","- C12 H16 N O8 P S -","- C96 H128 N8 O64 P8 S8 -","8","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0249","0.0241","","","0.0652","0.0658","","","","","","1.061","","","","has coordinates","234522","2020-10-21","18:00:00",""
"4036299","8.3695","0.0002","27.3023","0.0008","27.53","0.0008","90","","90","","90","","6290.8","0.3","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N O8 P S -","- C17 H26 N O8 P S -","- C204 H312 N12 O96 P12 S12 -","12","3","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0961","0.0586","","","0.119","0.1339","","","","","","1.04","","","","has coordinates","234524","2020-10-21","18:00:00",""
"4036300","9.5293","0.0004","15.7276","0.0006","10.3868","0.0004","90","","100.495","0.002","90","","1530.66","0.11","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 N O6 P S -","- C12 H18 N O6 P S -","- C48 H72 N4 O24 P4 S4 -","4","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0473","0.0392","","","0.0927","0.0975","","","","","","1.067","","","","has coordinates","234527","2020-10-21","18:00:00",""
"4036301","5.3049","0.0004","5.9648","0.0005","24.0989","0.0018","94.598","0.018","90.43","0.018","110.027","0.016","713.64","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","1-hydroxy-3-phenylurea","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0546","0.0383","","","0.0897","0.0962","","","","","","0.995","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036302","10.2998","0.0009","10.2998","0.0009","51.732","0.003","90","","90","","90","","5488","0.7","120","","120","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-((R)-1-Phenylethyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C240 H288 N32 O32 -","16","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0402","","","0.098","0.1041","","","","","","1.039","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036303","18.6391","0.0016","3.7176","0.0003","20.389","0.0016","90","","100.066","0.004","90","","1391.1","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Pyridinehydroxamic acid","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","","0.0704","0.0552","","","0.1451","0.1593","","","","","","1.044","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036304","7.6572","0.0006","9.1842","0.0008","15.6746","0.0012","90","","90","","90","","1102.32","0.15","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0465","0.0415","","","0.111","0.1149","","","","","","1.081","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036305","10.0933","0.0006","8.9883","0.0005","12.7337","0.0008","90","","90","","90","","1155.22","0.12","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0333","0.0321","","","0.0853","0.0869","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036306","7.2202","0.0003","10.5445","0.0005","25.028","0.0013","90","","90","","90","","1905.47","0.16","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-Hydroxy-3-(1-phenylethyl)urea","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0506","0.0397","","","0.0971","0.1035","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036307","13.713","0.001","5.8495","0.0005","14.8249","0.0012","90","","100.428","0.013","90","","1169.53","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)-2-phenyl-ethanone","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0806","0.0668","","","0.172","0.1847","","","","","","1.08","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036308","9.0358","0.0009","10.3716","0.0013","11.8962","0.0014","90","","108.091","0.01","90","","1059.7","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl(phenyl)metha-none","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0534","0.0465","","","0.1252","0.1317","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036309","13.5078","0.0008","9.166","0.0005","19.8312","0.0013","90","","90","","90","","2455.4","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-Dimethyl-N-phenyl-3,6-dihydro-2H-1,2-oxazine-2-carbox-amide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.0426","","","0.1151","0.1258","","","","","","1.021","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036310","7.7458","0.0006","8.3388","0.0006","9.2703","0.0007","77.293","0.003","68.194","0.003","84.734","0.003","542.28","0.07","156","","156","","","","","","","","","4","P -1","-P 1","2","","(4,5-Dimethyl-3,6-dihydro-2H-1,2-oxazin-2-yl)(pyridin-2-yl)methanone","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C24 H28 N4 O4 -","2","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0607","0.0399","","","0.0924","0.101","","","","","","0.95","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036311","5.8418","0.0005","8.6844","0.0007","20.7247","0.0019","90","","91.658","0.015","90","","1050.98","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0493","","","0.1396","0.1506","","","","","","1.072","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036312","12.7936","0.0001","16.4968","0.0001","16.9867","0.0001","90","","90","","90","","3585.1","0.04","150","","150","","","","","","","","from U of Wollongong","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0326","0.0319","","0.0852","0.0847","0.0852","","","","","","1.0041","","","","has coordinates","234531","2020-10-21","18:00:00",""
"4036313","10.9621","0.0002","5.7224","0.0001","19.4829","0.0003","90","","92.8005","0.0013","90","","1220.69","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 O P -","- C14 H17 O P -","- C56 H68 O4 P4 -","4","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0364","0.035","","0.0944","0.093","0.0944","","","","","","1.0075","","","","has coordinates","234532","2020-10-21","18:00:00",""
"4036314","22.557","0.003","13.1345","0.0018","23.298","0.003","90","","112.701","0.004","90","","6367.9","1.5","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3a in manuscript","","","- C80 H86 -","- C80 H86 -","- C320 H344 -","4","1","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1498","0.0722","","","0.1502","0.1961","","","","","","1.011","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036315","18.7503","0.0015","11.6048","0.0009","36.709","0.003","90","","100.131","0.003","90","","7863.1","1.1","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3b in manuscript","","","- C86 H100 -","- C86 H100 -","- C344 H400 -","4","1","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1325","0.0809","","","0.1855","0.2244","","","","","","1.082","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036316","17.898","0.002","25.162","0.003","20.571","0.003","90","","107.287","0.002","90","","8845.7","1.9","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","4e in manuscript","","","- C76 H64 Cl24 O12 -","- C76 H64 Cl24 O12 -","- C304 H256 Cl96 O48 -","4","0.5","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1466","0.0843","","","0.1994","0.2368","","","","","","1.016","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036317","26.107","0.01","5.2005","0.0018","17.707","0.006","90","","108.06","0.03","90","","2285.6","1.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 O2 -","- C34 H18 O2 -","- C136 H72 O8 -","4","0.5","","Watanabe, Motonori; Doi, Yasutaka; Hagiwara, Hidehisa; Staykov, Aleksandar Tsekov; Ida, Shintaro; Matsumoto, Taisuke; Shinmyozu, Teruo; Ishihara, Tatsumi","Synthesis and Investigation of the Effect of Substitution on the Structure, Physical Properties, and Electrochemical Properties of Anthracenodifuran Derivatives.","The Journal of organic chemistry","2015","80","18","9159","9166","10.1021/acs.joc.5b01525","","","1.54187","CuKα","","0.0798","0.0437","","","0.0775","0.0821","","","","","","0.989","","","","has coordinates,has disorder","234536","2020-10-21","18:00:00",""
"4036318","10.7793","0.001","21.212","0.002","38.195","0.004","90","","90","","90","","8733.3","1.5","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Boc-(L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib)2-OMe","","- C73 H135 N13 O16 -","- C73 H135 N13 O16 -","- C292 H540 N52 O64 -","4","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0995","0.0983","","","0.1633","0.1636","","","","","","2.681","","","","has coordinates","234538","2020-10-21","18:00:00",""
"4036319","10.7549","0.0013","14.0615","0.0017","14.0682","0.0017","90.109","0.002","90.496","0.002","101.438","0.002","2085.2","0.4","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-Leu-Aib-(DLeu-Leu-Aib)2-OMe.butanone","","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","1","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0422","0.0391","","","0.1006","0.1026","","","","","","1.031","","","","has coordinates","234539","2020-10-21","18:00:00",""
"4036320","9.054","0.002","17.784","0.005","12.497","0.003","90","","92.949","0.004","90","","2009.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl3 N2 O4 -","- C19 H17 Cl3 N2 O4 -","- C76 H68 Cl12 N8 O16 -","4","1","","Ram, Ram N.; Soni, Vineet Kumar","Synthesis of α-Functionalized Trichloromethylcarbinols.","The Journal of organic chemistry","2015","80","17","8922","8928","10.1021/acs.joc.5b01547","","","0.71073","MoKα","","0.0405","0.0352","","","0.0921","0.0948","","","","","","1.031","","","","has coordinates","234541","2020-10-21","18:00:00",""
"4036321","8.829","0.003","9.24","0.004","11.236","0.004","109.714","0.006","99.852","0.006","97.848","0.007","831.3","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl3 O6 -","- C15 H13 Cl3 O6 -","- C30 H26 Cl6 O12 -","2","1","","Ram, Ram N.; Soni, Vineet Kumar","Synthesis of α-Functionalized Trichloromethylcarbinols.","The Journal of organic chemistry","2015","80","17","8922","8928","10.1021/acs.joc.5b01547","","","0.71073","MoKα","","0.0998","0.086","","","0.1532","0.1588","","","","","","1.311","","","","has coordinates","234542","2020-10-21","18:00:00",""
"4036322","19.034","0.007","19.358","0.01","27.771","0.01","73.896","0.018","71.58","0.012","60.691","0.011","8372","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H228 Br2 N50 O55 -","- C136 H166 Br N50 O50 -","- C272 H332 Br2 N100 O100 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.1313","0.0674","","","0.1683","0.19","","","","","","1.026","","","","has coordinates","234544","2020-10-21","18:00:00",""
"4036323","12.9606","0.0008","22.3961","0.0013","31.1055","0.0018","104.965","0.002","95.413","0.002","99.865","0.002","8502.1","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H242 Br Cl2 K N50 O60 -","- C138 H164 Br Cl2 K N50 O50 -","- C276 H328 Br2 Cl4 K2 N100 O100 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.1925","0.0969","","","0.2548","0.2948","","","","","","1.016","","","","has coordinates","234546","2020-10-21","18:00:00",""
"4036324","12.53","0.01","14.783","0.012","22.267","0.018","94.868","0.009","92.011","0.009","104.466","0.008","3973","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 Br2 N26 O18 -","- C74 H90 Br2 N26 O18 -","- C148 H180 Br4 N52 O36 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.2369","0.1075","","","0.2484","0.2892","","","","","","1.027","","","","has coordinates","234548","2020-10-21","18:00:00",""
"4036325","9.7402","0.0004","11.0764","0.0005","23.9164","0.0011","90","","90","","90","","2580.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 -","- C32 H28 Cl N3 -","- C128 H112 Cl4 N12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0775","0.0652","","","0.1989","0.2081","","","","","","1.061","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036326","10.6357","0.00016","10.82044","0.00018","26.4828","0.0005","90","","91.872","0.0015","90","","3046.09","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 N3 O3 -","- C35 H35 N3 O3 -","- C140 H140 N12 O12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0692","0.0609","","","0.1743","0.1844","","","","","","1.07","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036327","10.1193","0.0013","29.068","0.002","10.5161","0.001","90","","111.963","0.013","90","","2868.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N3 O -","- C35 H31 N3 O -","- C140 H124 N12 O4 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0599","0.0516","","","0.1391","0.1493","","","","","","1.029","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036328","10.9488","0.0003","11.2504","0.0003","20.0504","0.0005","90","","94.903","0.002","90","","2460.74","0.11","100","2","99.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","","Gervais, Anais; Lazarski, Kiel E.; Porco, Jr, John A","Divergent Total Syntheses of Rhodomyrtosones A and B.","The Journal of organic chemistry","2015","80","19","9584","9591","10.1021/acs.joc.5b01570","","","1.54178","CuKα","","0.0904","0.0669","","","0.202","0.2215","","","","","","1.056","","","","has coordinates,has disorder","234555","2020-10-21","18:00:00",""
"4036329","26.293","0.003","26.293","0.003","10.119","0.002","90","","90","","120","","6058.3","1.5","123","1","123","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C324 H324 N36 -","18","1","","Yella, Ramesh; Gottlieb, Hugo E.; Hoz, Shmaryahu","A [2 + 3] Reductive Cyclodimerization of Quinoline by SmI2.","The Journal of organic chemistry","2015","80","17","8929","8932","10.1021/acs.joc.5b01572","","","0.71073","MoKα","","0.1227","0.121","","","0.2358","0.2372","","","","","","1.282","","","","has coordinates,has disorder","234557","2020-10-21","18:00:00",""
"4036330","5.5042","0.0002","15.9784","0.0008","25.4579","0.0012","90","","90","","90","","2238.98","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F N O3 S -","- C23 H30 F N O3 S -","- C92 H120 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","1.54178","CuKα","","0.1004","0.061","","","0.1209","0.1431","","","","","","0.984","","","","has coordinates","234559","2020-10-21","18:00:00",""
"4036331","9.2139","0.0008","10.6559","0.0009","19.9578","0.0016","90","","90","","90","","1959.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl F N O3 S -","- C17 H25 Cl F N O3 S -","- C68 H100 Cl4 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","0.71073","MoKα","","0.092","0.0517","","","0.0888","0.1008","","","","","","0.967","","","","has coordinates","234561","2020-10-21","18:00:00",""
"4036332","7.9217","0.0015","20.462","0.006","9.881","0.002","90","","100.377","0.018","90","","1575.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-5-Cyclopropyl-3-[(4-fluorophenyl)(methylamino)methylidene]- 6-nitro-1-benzofuran-2(3H)-one","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C76 H60 F4 N8 O16 -","4","1","","Bowman, Roy K.; Bullock, Kae M.; Copley, Royston C. B.; Deschamps, Nicole M.; McClure, Michael S.; Powers, Jeremiah D.; Wolters, Andy M.; Wu, Lianming; Xie, Shiping","Conversion of a Benzofuran Ester to an Amide through an Enamine Lactone Pathway: Synthesis of HCV Polymerase Inhibitor GSK852A.","The Journal of organic chemistry","2015","80","19","9610","9619","10.1021/acs.joc.5b01598","","","1.54178","CuKα","","0.1609","0.0601","","","0.0791","0.1176","","","","","","0.97","","","","has coordinates","234562","2020-10-21","18:00:00",""
"4036333","12.0888","0.0008","5.8043","0.0004","15.2224","0.001","90","","108.199","0.002","90","","1014.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.0529","0.044","","","0.1135","0.119","","","","","","1.079","","","","has coordinates","234564","2020-10-21","18:00:00",""
"4036334","10.1052","0.001","12.0211","0.001","12.7419","0.0012","115.415","0.003","100.821","0.003","105.614","0.003","1262","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","2","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.1218","0.0645","","","0.1313","0.1518","","","","","","1.045","","","","has coordinates","234565","2020-10-21","18:00:00",""
"4036335","8.3504","0.0006","15.777","0.0011","8.8718","0.0006","90","","104.976","0.002","90","","1129.11","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.106","0.06","","","0.1351","0.1521","","","","","","1.068","","","","has coordinates","234566","2020-10-21","18:00:00",""
"4036336","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234568","2020-10-21","18:00:00",""
"4036337","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234569","2020-10-21","18:00:00",""
"4036338","9.4706","0.0002","7.5261","0.0001","14.8394","0.0004","90","","101.149","0.0008","90","","1037.74","0.04","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O6 S -","- C20 H18 F3 N O6 S -","- C40 H36 F6 N2 O12 S2 -","2","1","","Zaghi, Anna; Bernardi, Tatiana; Bertolasi, Valerio; Bortolini, Olga; Massi, Alessandro; De Risi, Carmela","One-Pot, Four-Step Organocatalytic Asymmetric Synthesis of Functionalized Nitrocyclopropanes.","The Journal of organic chemistry","2015","80","18","9176","9184","10.1021/acs.joc.5b01607","","","0.71073","MoKα","","0.0503","0.0376","","","0.0848","0.0922","","","","","","1.028","","","","has coordinates","234571","2020-10-21","18:00:00",""
"4036339","9.9358","0.0002","14.1582","0.0003","15.964","0.0003","90","","90","","90","","2245.7","0.08","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","1","","Zhao, Jia-Jia; Zhang, Yu-Chen; Xu, Meng-Meng; Tang, Man; Shi, Feng","Catalytic Chemo-, E/Z-, and Enantioselective Cyclizations of o-Hydroxybenzyl Alcohols with Dimedone-Derived Enaminones.","The Journal of organic chemistry","2015","80","20","10016","10024","10.1021/acs.joc.5b01613","","","1.54178","CuKα","","0.0363","0.0358","","","0.0952","0.0957","","","","","","1.072","","","","has coordinates","234573","2020-10-21","18:00:00",""
"4036340","41.33","0.1","10.25","0.02","11.98","0.06","90","","97.7","0.4","90","","5029","3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 S2 Si -","- C52 H72 S2 Si -","- C208 H288 S8 Si4 -","4","1","","Chen, Chih-Wei; Fan, Kunzeng; Chen, Chih-Hsien; Huang, Shou-Ling; Liu, Yi-Hung; Lim, Tsong-Shin; Wang, Guan-Wu; Luh, Tien-Yau","Stereoselective Iterative Convergent Synthesis of Z-Oligodiacetylenes from Propargylic Dithioacetals.","The Journal of organic chemistry","2015","80","17","8772","8781","10.1021/acs.joc.5b01626","","","1.54178","CuKα","","0.054","0.0506","","","0.1597","0.163","","","","","","1.147","","","","has coordinates","234574","2020-10-21","18:00:00",""
"4036341","12.5145","0.0008","15.6544","0.001","9.2215","0.0005","90","","91.271","0.005","90","","1806.11","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C68 H72 N8 O12 S4 -","4","1","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Hao, Xin-Hua; Wang, Jia; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Mediated Tandem Reaction of Propargylic Alcohols with Hydroxylamine Hydrochloride To Give α,β-Unsaturated Amides and Alkenyl Nitriles.","The Journal of organic chemistry","2015","80","18","9200","9207","10.1021/acs.joc.5b01633","","","0.71073","MoKα","","0.1682","0.1061","","","0.2961","0.3586","","","","","","1.073","","","","has coordinates,has disorder","234576","2020-10-21","18:00:00",""
"4036342","9.173","0.0015","11.6089","0.0019","13.862","0.002","111.106","0.002","90.784","0.003","95.671","0.003","1368.4","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N3 S -","- C15 H10 Cl N3 S -","- C60 H40 Cl4 N12 S4 -","4","2","","Yang, Daoshan; Yan, Kelu; Wei, Wei; Li, Guoqing; Lu, Shenglei; Zhao, Caixia; Tian, Laijin; Wang, Hua","Catalyst-Free Regioselective C-3 Thiocyanation of Imidazopyridines.","The Journal of organic chemistry","2015","80","21","11073","11079","10.1021/acs.joc.5b01637","","","0.71073","MoKα","","0.0725","0.0525","","","0.1231","0.1332","","","","","","1.026","","","","has coordinates","234577","2020-10-21","18:00:00",""
"4036343","8.033","0.002","10.739","0.003","18.778","0.005","90","","90","","90","","1619.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Zhao, Li-Ming; Zhang, Ai-Li; Gao, Hua-Shuai; Zhang, Jie-Huan","Synthesis of Furo[3,2-c]benzopyrans via an Intramolecular [4 + 2] Cycloaddition Reaction of o-Quinonemethides.","The Journal of organic chemistry","2015","80","20","10353","10358","10.1021/acs.joc.5b01641","","","0.71073","MoKα","","0.0383","0.035","","","0.0842","0.0873","","","","","","1.057","","","","has coordinates","234579","2020-10-21","18:00:00",""
"4036344","7.6216","0.0009","15.6106","0.0019","18.751","0.002","90","","97.596","0.002","90","","2211.4","0.4","93","2","93.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CF3_anthracene_dimer_cistrans","","- C30 H20 F6 -","- C30 H19.939 F6 -","- C120 H79.756 F24 -","4","1","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.0821","0.0518","","","0.1158","0.1291","","","","","","1.04","","","","has coordinates,has disorder","234581","2020-10-21","18:00:00",""
"4036345","8.9617","","18.2627","","27.926","","90","","90","","90","","4570.5","","93.15","","93.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 F6 -","- C30 H20 F6 -","- C240 H160 F48 -","8","2","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.053","0.041","","","0.1126","0.124","","","","","","0.8334","","","","has coordinates","234582","2020-10-21","18:00:00",""
"4036346","11.1233","0.0013","16.569","0.002","11.7812","0.0014","90","","92.882","0.002","90","","2168.6","0.4","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 F6 -","- C30 H20 F6 -","- C120 H80 F24 -","4","0.5","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.0443","0.0406","","","0.1079","0.112","","","","","","1.045","","","","has coordinates","234584","2020-10-21","18:00:00",""
"4036347","4.9357","0.0007","22.117","0.003","27.42","0.004","90","","90","","90","","2993.2","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O5 -","- C27 H39 N6 O5 -","- C108 H156 N24 O20 -","4","1","","Duttagupta, Indranil; Misra, Debojyoti; Bhunya, Sourav; Paul, Ankan; Sinha, Surajit","Cis-Trans Conformational Analysis of δ-Azaproline in Peptides.","The Journal of organic chemistry","2015","80","21","10585","10604","10.1021/acs.joc.5b01668","","","0.71073","MoKα","","0.1853","0.0904","","","0.2001","0.2387","","","","","","0.982","","","","has coordinates,has disorder","234586","2020-10-21","18:00:00",""
"4036348","14.625","0.003","6.3084","0.0014","14.588","0.003","90","","105.522","0.005","90","","1296.8","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","1","","Mercalli, Valentina; Massarotti, Alberto; Varese, Monica; Giustiniano, Mariateresa; Meneghetti, Fiorella; Novellino, Ettore; Tron, Gian Cesare","Multicomponent Reaction of Z-Chlorooximes, Isocyanides, and Hydroxylamines as Hypernucleophilic Traps. A One-Pot Route to Aminodioximes and Their Transformation into 5-Amino-1,2,4-oxadiazoles by Mitsunobu-Beckmann Rearrangement.","The Journal of organic chemistry","2015","80","19","9652","9661","10.1021/acs.joc.5b01676","","x-ray","0.71073","MoKα","","0.0939","0.0558","","","0.1349","0.1611","","","","","","1.078","","","","has coordinates","234588","2020-10-21","18:00:00",""
"4036349","10.5311","0.0009","14.0448","0.0012","15.9503","0.0014","90","","108.442","0.002","90","","2238","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 S -","- C28 H22 O2 S -","- C112 H88 O8 S4 -","4","1","","Yang, Zheng; Hao, Wen-Juan; Wang, Shu-Liang; Zhang, Jin-Peng; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Synthesis of Allenyl Sulfones via a TBHP/TBAI-Mediated Reaction of Propargyl Alcohols with Sulfonyl Hydrazides.","The Journal of organic chemistry","2015","80","18","9224","9230","10.1021/acs.joc.5b01684","","","0.71073","MoKα","","0.1371","0.0496","","","0.0508","0.0588","","","","","","0.925","","","","has coordinates","234590","2020-10-21","18:00:00",""
"4036350","10.2963","0.0009","13.5576","0.0012","17.0707","0.0014","104.48","0.003","106.81","0.003","90.286","0.003","2201","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 B2 N2 -","- C30 H22 B2 N2 -","- C120 H88 B8 N8 -","4","2","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.1186","0.0728","","","0.1885","0.2156","","","","","","1.035","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036351","10.4796","0.0017","14.933","0.003","11.2274","0.0018","90","","112.972","0.005","90","","1617.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B N O S -","- C18 H16 B N O S -","- C72 H64 B4 N4 O4 S4 -","4","1","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0544","0.0399","","","0.0981","0.1086","","","","","","1.029","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036352","26.563","0.002","5.5274","0.0005","20.585","0.003","90","","129.396","0.002","90","","2335.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 B2 N2 S2 -","- C30 H20 B2 N2 S2 -","- C120 H80 B8 N8 S8 -","4","0.5","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0573","0.0362","","","0.0867","0.0988","","","","","","1.007","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036353","12.0682","0.0004","10.3044","0.0003","15.0172","0.0005","90","","105.288","0.001","90","","1801.39","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 B2 N2 O2 S2 -","- C42 H38 B2 N2 O2 S2 -","- C84 H76 B4 N4 O4 S4 -","2","0.5","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0492","0.0435","","","0.1253","0.135","","","","","","1.066","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036354","9.6831","0.0003","14.5775","0.0005","14.0503","0.0004","90","","93.9397","0.0008","90","","1978.59","0.11","98","","98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl Cu N2 -","- C23 H26 Cl Cu N2 -","- C92 H104 Cl4 Cu4 N8 -","4","1","","Ando, Shin; Matsunaga, Hirofumi; Ishizuka, Tadao","A Bicyclic N-Heterocyclic Carbene as a Bulky but Accessible Ligand: Application to the Copper-Catalyzed Borylations of Aryl Halides.","The Journal of organic chemistry","2015","80","19","9671","9681","10.1021/acs.joc.5b01721","","","0.71075","MoKα","","0.0695","0.0688","","","0.1864","0.1869","","","","","","1.125","","","","has coordinates","234593","2020-10-21","18:00:00",""
"4036355","19.89","0.003","19.89","0.003","6.3216","0.0013","90","","90","","90","","2500.9","0.7","173.15","","173.15","","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- C61 H53 Cl3 N12 -","- C61 H53 Cl3 N12 -","- C122 H106 Cl6 N24 -","2","0.25","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0587","0.0573","","","0.1457","0.1468","","","","","","1.13","","","","has coordinates","234596","2020-10-21","18:00:00",""
"4036356","17.774","0.005","11.314","0.003","11.548","0.003","90","","106.667","0.004","90","","2224.7","1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N8 -","- C26 H24 N8 -","- C104 H96 N32 -","4","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.1103","0.0854","","","0.2158","0.2293","","","","","","1.385","","","","has coordinates","234597","2020-10-21","18:00:00",""
"4036357","10.07","0.003","10.403","0.003","12.774","0.003","70.851","0.007","79.601","0.009","88.998","0.011","1242.1","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N6 O4 -","- C30 H26 N6 O4 -","- C60 H52 N12 O8 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0675","0.0613","","","0.1468","0.1509","","","","","","1.13","","","","has coordinates","234598","2020-10-21","18:00:00",""
"4036358","9.641","0.003","11.263","0.004","13.731","0.005","82.779","0.012","83.587","0.014","81.73","0.011","1457.1","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cl3 N8 O4 -","- C29 H25 Cl3 N8 O4 -","- C58 H50 Cl6 N16 O8 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0736","0.0674","","","0.1602","0.1653","","","","","","1.121","","","","has coordinates,has disorder","234600","2020-10-21","18:00:00",""
"4036359","8.9573","0.0009","10.2459","0.0009","13.728","0.0014","108.56","0.009","91.146","0.008","96.441","0.008","1184.8","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 O2 -","- C28 H26 N6 O2 -","- C56 H52 N12 O4 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.1147","0.0589","","","0.1132","0.1435","","","","","","1.073","","","","has coordinates","234601","2020-10-21","18:00:00",""
"4036360","8.84","0.02","12.09","0.03","13.05","0.03","77.73","0.03","79.03","0.03","84.98","0.03","1336","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C58 H60 N4 O4 -","2","1","","Cheng, Guangsheng; He, Xiang; Tian, Lumin; Chen, Jiawen; Li, Chunju; Jia, Xueshun; Li, Jian","Ugi/Himbert Arene/Allene Diels-Alder Cycloaddition to Synthesize Strained Polycyclic Skeleton.","The Journal of organic chemistry","2015","80","21","11100","11107","10.1021/acs.joc.5b01724","","","0.71073","MoKα","","0.0652","0.0515","","","0.202","0.2345","","","","","","0.964","","","","has coordinates","234603","2020-10-21","18:00:00",""
"4036361","9.485","0.008","12.135","0.01","12.436","0.01","61.752","0.009","74.897","0.01","86.481","0.01","1214.1","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C58 H60 N4 O4 -","2","1","","Cheng, Guangsheng; He, Xiang; Tian, Lumin; Chen, Jiawen; Li, Chunju; Jia, Xueshun; Li, Jian","Ugi/Himbert Arene/Allene Diels-Alder Cycloaddition to Synthesize Strained Polycyclic Skeleton.","The Journal of organic chemistry","2015","80","21","11100","11107","10.1021/acs.joc.5b01724","","","0.71073","MoKα","","0.0554","0.044","","","0.112","0.1182","","","","","","1.375","","","","has coordinates","234604","2020-10-21","18:00:00",""
"4036362","14.4873","0.0003","8.7725","0.0002","15.6803","0.0011","90","","107.542","0.008","90","","1900.13","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Drège, Emmanuelle; Venot, Pierre-Etienne; Le Bideau, Franck; Retailleau, Pascal; Joseph, Delphine","Two-Component Domino Reactions Initiated from Ketenes: Serendipitous Synthesis of Quinolizidinones Analogous to Chelated Lobeline's Conformation.","The Journal of organic chemistry","2015","80","20","10119","10126","10.1021/acs.joc.5b01727","","","1.54187","CuKα","","0.0531","0.0434","","","0.1134","0.1421","","","","","","1.135","","","","has coordinates","234606","2020-10-21","18:00:00",""
"4036363","15.926","0.002","11.464","0.001","11.398","0.001","90","","104.242","0.002","90","","2017","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Drège, Emmanuelle; Venot, Pierre-Etienne; Le Bideau, Franck; Retailleau, Pascal; Joseph, Delphine","Two-Component Domino Reactions Initiated from Ketenes: Serendipitous Synthesis of Quinolizidinones Analogous to Chelated Lobeline's Conformation.","The Journal of organic chemistry","2015","80","20","10119","10126","10.1021/acs.joc.5b01727","","","0.71073","MoKα","","0.0642","0.0428","","","0.1085","0.1217","","","","","","1.042","","","","has coordinates","234606","2020-10-21","18:00:00",""
"4036364","6.0142","0.0008","8.9088","0.0011","26.237","0.003","90","","94.181","0.002","90","","1402","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Goutham, Kommuru; Ashok Kumar, Desamala; Suresh, Surisetti; Sridhar, Balasubramanian; Narender, Ravirala; Karunakar, Galla V.","Gold-Catalyzed Intramolecular Cyclization of N-Propargylic β-Enaminones for the Synthesis of 1,4-Oxazepine Derivatives.","The Journal of organic chemistry","2015","80","21","11162","11168","10.1021/acs.joc.5b01733","","","0.71073","MoKα","","0.0778","0.046","","","0.1044","0.121","","","","","","1.007","","","","has coordinates","234608","2020-10-21","18:00:00",""
"4036365","14.031","0.006","7.662","0.003","18.392","0.008","90","","110.325","0.008","90","","1854.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ligand","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Jadhav, Santosh D.; Bakshi, Debanjan; Singh, Anand","Visible Light Mediated Organocatalytic Activation of Ethyl Bromofluoroacetate: Coupling with Indoles and Anilines.","The Journal of organic chemistry","2015","80","20","10187","10196","10.1021/acs.joc.5b01736","","","0.71073","MoKα","","0.0898","0.0606","","","0.1761","0.2124","","","","","","1.063","","","","has coordinates","234610","2020-10-21","18:00:00",""
"4036366","33.592","0.002","11.1346","0.0007","18.5547","0.0011","90","","113.102","0.001","90","","6383.5","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cl N4 -","- C27 H41 Cl N4 -","- C216 H328 Cl8 N32 -","8","1","","Belding, Lee; Stoyanov, Peter; Dudding, Travis","Synthesis, Theoretical Analysis, and Experimental pKa Determination of a Fluorescent, Nonsymmetric, In-Out Proton Sponge.","The Journal of organic chemistry","2016","81","1","6","13","10.1021/acs.joc.5b01743","","","0.71073","MoKα","","0.0816","0.0458","","","0.1285","0.1432","","","","","","1.068","","","","has coordinates","234612","2020-10-21","18:00:00",""
"4036367","8.1242","0.001","5.5478","0.0007","21.829","0.003","90","","92.466","0.005","90","","983","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O4 -","- C23 H18 Cl N O4 -","- C46 H36 Cl2 N2 O8 -","2","1","","Saha, Prasenjit; Biswas, Arnab; Molleti, Nagaraju; Singh, Vinod K.","Enantioselective Synthesis of Highly Substituted Chromans via the Oxa-Michael-Michael Cascade Reaction with a Bifunctional Organocatalyst.","The Journal of organic chemistry","2015","80","21","11115","11122","10.1021/acs.joc.5b01751","","","0.71073","MoKα","","0.0618","0.0395","","","0.1056","0.1219","","","","","","0.842","","","","has coordinates","234615","2020-10-21","18:00:00",""
"4036368","9.588","0.0003","12.774","0.0003","21.6395","0.0007","90","","90","","90","","2650.34","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N3 O7 -","- C27 H30 N3 O7 -","- C108 H120 N12 O28 -","4","1","","Yin, Chengkai; Lin, Lili; Zhang, Dong; Feng, Juhua; Liu, Xiaohua; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of Methyleneindolinones with N,N'-Cyclic Azomethine Imines Catalyzed by a N,N'-Dioxide-Mg(OTf)2 Complex.","The Journal of organic chemistry","2015","80","19","9691","9699","10.1021/acs.joc.5b01760","","x-ray","1.54184","CuKα","","0.0531","0.0513","","","0.1366","0.1405","","","","","","1.131","","","","has coordinates","234616","2020-10-21","18:00:00",""
"4036369","8.6835","0.0001","10.0878","0.0002","27.4865","0.0004","90","","90","","90","","2407.75","0.07","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl2 N O P Pd S -","- C24 H26 Cl2 N O P Pd S -","- C96 H104 Cl8 N4 O4 P4 Pd4 S4 -","4","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.022","0.0203","","","0.0444","0.0451","","","","","","1.072","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036370","16.7993","0.0002","9.8937","0.0001","22.8314","0.0003","90","","100.574","0.0011","90","","3730.3","0.08","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C142 H126 Cl26 N4 O4 P4 Pd4 S4 -","2","0.5","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","mokα","","0.0176","0.0168","","","0.0396","0.04","","","","","","1.042","","","","has coordinates,has disorder","234618","2020-10-21","18:00:00",""
"4036371","9.1192","0.0002","15.7386","0.0002","11.5249","0.0002","90","","106.157","0.002","90","","1588.76","0.05","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H34 Cl4 Fe N O P Pd -","- C31 H34 Cl4 Fe N O P Pd -","- C62 H68 Cl8 Fe2 N2 O2 P2 Pd2 -","2","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.0194","0.0186","","","0.0406","0.0411","","","","","","1.055","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036372","9.65882","0.00008","10.60526","0.00009","27.9871","0.0002","90","","97.2543","0.0007","90","","2843.89","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H78 Fe2 N2 O4 -","- C67 H78 Fe2 N2 O4 -","- C134 H156 Fe4 N4 O8 -","2","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0301","0.027","","","0.0627","0.0646","","","","","","1.029","","","","has coordinates,has disorder","234620","2020-10-21","18:00:00",""
"4036373","7.46927","0.00006","19.6221","0.0002","20.6504","0.0002","90","","90","","90","","3026.58","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe N O2 Si -","- C34 H41 Fe N O2 Si -","- C136 H164 Fe4 N4 O8 Si4 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0247","0.0236","","","0.0634","0.0641","","","","","","1.061","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036374","17.2354","0.0002","25.5309","0.0003","16.9029","0.0002","90","","90","","90","","7437.87","0.15","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C74.5 H94 Fe4 Li4 N4 O8 -","- C72 H88 Fe4 Li4 N4 O8 -","- C288 H352 Fe16 Li16 N16 O32 -","4","0.5","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0355","0.0312","","","0.0712","0.073","","","","","","1.061","","","","has coordinates","264764","2021-05-03","08:11:05",""
"4036375","9.4054","0.0001","10.8382","0.0002","28.0924","0.0004","90","","97.196","0.001","90","","2841.12","0.07","240","2","240","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C63 H68 Cl2 Fe2 N2 O4 -","- C62 H66 Fe2 N2 O4 -","- C124 H132 Fe4 N4 O8 -","2","0.5","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0358","0.0327","","","0.0938","0.0962","","","","","","1.126","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036376","22.5647","0.0003","9.7136","0.0002","15.1484","0.0002","90","","104.989","0.002","90","","3207.32","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 Fe3 N O2 -","- C39 H41 Fe3 N O2 -","- C156 H164 Fe12 N4 O8 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0402","0.0361","","","0.0821","0.0852","","","","","","1.037","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036377","8.32646","0.00006","10.47455","0.00007","13.76824","0.00009","110.587","0.0006","96.9805","0.0005","91.5538","0.0005","1112.64","0.014","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","2","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","1.54184","CuKα","","0.0317","0.0308","","","0.082","0.0831","","","","","","1.035","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036378","9.54492","0.00006","12.68954","0.00007","19.9983","0.0001","90","","90","","90","","2422.21","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N3 O2 -","- C27 H35 N3 O2 -","- C108 H140 N12 O8 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0277","0.0266","","","0.0678","0.0686","","","","","","1.037","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036379","9.51079","0.00004","9.51079","0.00004","44.3094","0.0002","90","","90","","120","","3471.04","0.03","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H33 N3 O2 -","- C26 H33 N3 O2 -","- C156 H198 N18 O12 -","6","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0251","0.0248","","","0.0647","0.0651","","","","","","1.035","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036380","9.86627","0.00006","10.19647","0.00008","13.1369","0.0001","112.441","0.0008","90.0964","0.0006","91.9641","0.0006","1220.63","0.017","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H31 N3 O2 -","- C29 H31 N3 O2 -","- C58 H62 N6 O4 -","2","2","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0267","0.0257","","","0.0638","0.0647","","","","","","1.023","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036381","8.4077","0.0001","17.5482","0.0003","9.456","0.0002","90","","94.439","0.002","90","","1390.95","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H32 Cl2 Fe N3 O2 -","- C30 H32 Cl2 Fe N3 O2 -","- C60 H64 Cl4 Fe2 N6 O4 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0298","0.0271","","","0.0559","0.0575","","","","","","1.036","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036382","9.9185","0.0008","10.6832","0.0009","14.5573","0.0012","90","","94.336","0.001","90","","1538.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl4 N3 O2 Zn -","- C28 H37 Cl4 N3 O2 Zn -","- C56 H74 Cl8 N6 O4 Zn2 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.039","0.0366","","","0.0945","0.0962","","","","","","1.044","","","","has coordinates,has disorder","234622","2020-10-21","18:00:00",""
"4036383","9.3141","0.0002","11.2722","0.0002","26.2759","0.0004","90","","90","","90","","2758.72","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl2 N3 O2 Zn -","- C27 H35 Cl2 N3 O2 Zn -","- C108 H140 Cl8 N12 O8 Zn4 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0275","0.0247","","","0.049","0.0502","","","","","","1.04","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036384","10.214","0.005","15.8","0.005","14.488","0.005","90","0.005","105.811","0.005","90","0.005","2249.6","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1033","0.0618","","","0.1534","0.1809","","","","","","1.047","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036385","29.035","0.005","9.629","0.005","20.038","0.005","90","0.005","121.711","0.005","90","0.005","4766","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cl4 O12 -","- C52 H52 Cl4 O12 -","- C208 H208 Cl16 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71069","MoKα","","0.0861","0.0528","","","0.1206","0.1396","","","","","","1.025","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036386","19.478","0.003","13.91","0.002","21.979","0.003","90","","112.681","0.003","90","","5494.4","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45.33 H42.67 O8 -","- C45.3333 H42.6667 O8 -","- C272 H256 O48 -","6","1.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1514","0.0764","","","0.1994","0.2922","","","","","","1.028","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036387","9.872","0.002","12.077","0.003","16.125","0.004","90","","90","","90","","1922.5","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1021","0.0629","","","0.1317","0.1711","","","","","","1.081","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036388","7.968","0.002","20.772","0.006","26.086","0.008","90","","90","","90","","4318","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H56 O12 -","- C52 H56 O12 -","- C208 H224 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1614","0.0776","","","0.1775","0.2233","","","","","","1.01","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036389","12.61","0.005","10.614","0.005","15.843","0.005","90","0.005","95.485","0.005","90","0.005","2110.8","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C96 H144 O16 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71069","MoKα","","0.0874","0.0568","","","0.1361","0.1575","","","","","","1.032","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036390","7.992","0.005","9.923","0.005","12.384","0.005","82.119","0.005","86.351","0.005","83.885","0.005","966.1","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C48 H48 O8 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.0895","0.0604","","","0.1383","0.1673","","","","","","1.049","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036391","8.018","0.005","9.654","0.005","14.715","0.005","81.337","0.005","80.762","0.005","69.641","0.005","1048.5","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1034","0.0732","","","0.1969","0.2441","","","","","","1.076","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036392","16.482","0.0011","9.0409","0.0006","22.9016","0.0015","90","","106.472","0.002","90","","3272.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","2","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1581","0.0857","","","0.1762","0.2084","","","","","","1.015","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4036393","12.5302","0.0011","13.0867","0.0011","22.9933","0.0019","90","","90","","90","","3770.4","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H55 O6 -","- C42 H55 O6 -","- C168 H220 O24 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2321","0.0727","","","0.1188","0.1821","","","","","","0.954","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036394","14.06","0.007","9.757","0.005","15.785","0.008","90","","96.018","0.013","90","","2153.5","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H54 F2 O6 -","- C42 H54 F2 O6 -","- C84 H108 F4 O12 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2005","0.0759","","","0.168","0.2022","","","","","","0.859","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036395","5.5809","0.0003","14.442","0.0007","16.1693","0.0007","90","","90","","90","","1303.24","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0396","0.0324","","","0.0741","0.0784","","","","","","1.031","","","","has coordinates","234627","2020-10-21","18:00:00",""
"4036396","11.97","0.0009","7.4348","0.0007","29.213","0.002","90","","90","","90","","2599.8","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0569","0.0398","","","0.0982","0.1115","","","","","","1.051","","","","has coordinates","234629","2020-10-21","18:00:00",""
"4036397","43.875","0.012","8.776","0.002","19.789","0.005","90","","98.921","0.005","90","","7528","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C400 H288 O32 -","16","2","","Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun","1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.","The Journal of organic chemistry","2015","80","21","11123","11130","10.1021/acs.joc.5b01793","","","0.71073","MoKα","","0.1529","0.0778","","","0.1485","0.1963","","","","","","1.107","","","","has coordinates","234631","2020-10-21","18:00:00",""
"4036398","13.417","0.002","19.553","0.003","9.7821","0.0016","90","","108.595","0.003","90","","2432.3","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O2 -","- C29 H32 O2 -","- C116 H128 O8 -","4","1","","Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun","1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.","The Journal of organic chemistry","2015","80","21","11123","11130","10.1021/acs.joc.5b01793","","","0.71073","MoKα","","0.081","0.0467","","","0.1239","0.147","","","","","","1.019","","","","has coordinates","234633","2020-10-21","18:00:00",""
"4036399","13.239","0.003","15.838","0.003","17.467","0.003","90.102","0.001","106.346","0.004","112.778","0.006","3214.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 N8 O12 S2 -","- C54 H54 N8 O12 S2 -","- C108 H108 N16 O24 S4 -","2","1","","Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin","Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.","The Journal of organic chemistry","2015","80","20","10380","10385","10.1021/acs.joc.5b01810","","","0.71073","MoKα","","0.0973","0.0702","","","0.1869","0.2015","","","","","","1.099","","","","has coordinates","234635","2020-10-21","18:00:00",""
"4036400","16.284","0.003","7.5128","0.0015","19.09","0.004","90","","108.77","0.03","90","","2211.2","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O5 S -","- C24 H22 N4 O5 S -","- C96 H88 N16 O20 S4 -","4","1","","Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin","Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.","The Journal of organic chemistry","2015","80","20","10380","10385","10.1021/acs.joc.5b01810","","","0.71073","MoKα","","0.0601","0.0501","","","0.1325","0.1423","","","","","","1.046","","","","has coordinates","234637","2020-10-21","18:00:00",""
"4036401","9.96","0.002","18.65","0.004","28.449","0.005","90","","90","","90","","5284.5","1.8","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H30.5 Cl1.5 N2 O3 -","- C27.5 H30.5 Cl1.5 N2 O3 -","- C220 H244 Cl12 N16 O24 -","8","2","","Attaba, Nassilia; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective NHC-Catalyzed Redox [4 + 2]-Hetero-Diels-Alder Reactions Using α,β-Unsaturated Trichloromethyl Ketones as Amide Equivalents.","The Journal of organic chemistry","2015","80","19","9728","9739","10.1021/acs.joc.5b01820","","","1.54187","CuKα","","0.0791","0.0741","","","0.2054","0.212","","","","","","1.066","","","","has coordinates","234639","2020-10-21","18:00:00",""
"4036402","5.0223","0.0018","11.561","0.004","16.488","0.006","90","","96.509","0.006","90","","951.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","04083z","","","- C5 H6 Cl N O4 S2 -","- C5 H6 Cl N O4 S2 -","- C20 H24 Cl4 N4 O16 S8 -","4","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.03","0.0255","","","0.0683","0.0718","","","","","","1.057","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036403","19.338","0.006","9.106","0.002","21.687","0.011","90","","118.47","0.03","90","","3357","2","172","2","172","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","031026z","","","- C14 H18 N2 O4 S2 -","- C14 H18 N2 O4 S2 -","- C112 H144 N16 O32 S16 -","8","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.1171","0.0574","","","0.1224","0.147","","","","","","1.006","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036404","4.862","0.0008","11.891","0.002","17.893","0.003","90","","93.661","0.003","90","","1032.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","04109","","","- C6 H9 N O5 S2 -","- C6 H9 N O5 S2 -","- C24 H36 N4 O20 S8 -","4","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.0416","0.0318","","","0.0793","0.0858","","","","","","1.034","","","","has coordinates,has disorder","234641","2020-10-21","18:00:00",""
"4036405","7.2854","0.0003","8.4243","0.0003","12.9967","0.0005","100.849","0.001","94.925","0.001","113.418","0.001","707.36","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","15097a","","","- C12 H14 N2 O4 S2 -","- C12 H14 N2 O4 S2 -","- C24 H28 N4 O8 S4 -","2","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","1.54178","CuKα","","0.0327","0.0313","","","0.0813","0.0828","","","","","","1.043","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036406","22.1075","0.001","7.7997","0.0003","22.3762","0.001","90","","92.119","0.002","90","","3855.7","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H15 Br F3 N O3 -","- C20 H15 Br F3 N O3 -","- C160 H120 Br8 F24 N8 O24 -","8","2","","Zhao, Mei-Xin; Zhu, Hui-Kai; Dai, Tong-Lei; Shi, Min","Cinchona Alkaloid Squaramide-Catalyzed Asymmetric Michael Addition of α-Aryl Isocyanoacetates to β-Trifluoromethylated Enones and Its Applications in the Synthesis of Chiral β-Trifluoromethylated Pyrrolines.","The Journal of organic chemistry","2015","80","22","11330","11338","10.1021/acs.joc.5b01829","","","0.71073","MoKα","","0.0457","0.0359","","","0.0746","0.0788","","","","","","0.996","","","","has coordinates","234642","2020-10-21","18:00:00",""
"4036407","15.334","0.003","6.3606","0.0013","23.307","0.005","90","","90","","90","","2273.2","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C88 H96 I8 N8 O16 -","8","1","","Liu, Gong-Qing; Yang, Chun-Hua; Li, Yue-Ming","Modular Preparation of 5-Halomethyl-2-oxazolines via PhI(OAc)2-Promoted Intramolecular Halooxygenation of N-Allylcarboxamides.","The Journal of organic chemistry","2015","80","22","11339","11350","10.1021/acs.joc.5b01832","","","0.71073","MoKα","","0.0474","0.0382","","","0.0857","0.0911","","","","","","1.101","","","","has coordinates,has disorder","234644","2020-10-21","18:00:00",""
"4036408","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","234646","2020-10-21","18:00:00",""
"4036409","6.2753","0.0002","14.5021","0.0004","36.3418","0.0011","90","","90","","90","","3307.29","0.17","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.074","0.0512","","","0.1119","0.1236","","","","","","1.011","","","","has coordinates","234648","2020-10-21","18:00:00",""
"4036410","8.1042","0.0004","11.0238","0.0005","21.4504","0.001","90","","90","","90","","1916.36","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0351","0.0326","","","0.0842","0.0864","","","","","","1.052","","","","has coordinates","234649","2020-10-21","18:00:00",""
"4036411","39.6144","0.0015","6.5116","0.0002","13.7635","0.0005","90","","95.754","0.002","90","","3532.4","0.2","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C152 H224 O40 -","8","1","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0479","0.0386","","","0.0957","0.1016","","","","","","1.028","","","","has coordinates","234651","2020-10-21","18:00:00",""
"4036412","11.075","0.002","10.596","0.002","17.27","0.006","90","","122.43","0.02","90","","1710.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O3 -","- C20 H17 Cl O3 -","- C80 H68 Cl4 O12 -","4","1","","Guo, Hao; Xing, Fen; Du, Guang-Fen; Huang, Kuo-Wei; Dai, Bin; He, Lin","N-Heterocyclic Carbene-Catalyzed Diastereoselective Vinylogous Michael Addition Reaction of γ-Substituted Deconjugated Butenolides.","The Journal of organic chemistry","2015","80","24","12606","12613","10.1021/acs.joc.5b01845","","","0.71073","MoKα","","0.1973","0.0965","","","0.139","0.1751","","","","","","1.086","","","","has coordinates","234652","2020-10-21","18:00:00",""
"4036413","12.9443","0.0008","10.34","0.0006","21.8826","0.0013","90","","96.624","0.003","90","","2909.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","0.1166","0.0739","","","0.1831","0.2278","","","","","","1.071","","","","has coordinates","234654","2020-10-21","18:00:00",""
"4036414","16.4246","0.0005","11.9941","0.0004","17.9328","0.0005","90","","90","","90","","3532.73","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","","0.0453","","","0.1201","0.1402","","","","","","1.007","","","","has coordinates","234655","2020-10-21","18:00:00",""
"4036415","16.157","0.003","9.129","0.0018","16.109","0.003","90","","90.44","0.03","90","","2376","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N O2 P -","- C29 H26 N O2 P -","- C116 H104 N4 O8 P4 -","4","1","","Zhang, Honglin; Gu, Zhangxi; Li, Zhenyi; Pan, Changduo; Li, Weipeng; Hu, Hongwen; Zhu, Chengjian","Silver-Catalyzed Cascade Radical Cyclization: A Direct Approach to 3,4-Disubstituted Dihydroquinolin-2(1H)-ones through Activation of the P-H Bond and Functionalization of the C(sp(2))-H Bond.","The Journal of organic chemistry","2016","81","5","2122","2127","10.1021/acs.joc.5b01879","","","0.71073","MoKα","","0.1739","0.0751","","","0.0925","0.1115","","","","","","1.007","","","","has coordinates","234657","2020-10-21","18:00:00",""
"4036416","19.3149","0.0011","4.7459","0.0003","18.9269","0.0011","90","","118.336","0.003","90","","1527.08","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phenyl-5H-benzo[d]benzofuro[3,2-b]azepine","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Gai, Rafaela; Back, Davi F.; Zeni, Gilson","Potassium tert-Butoxide-Catalyzed Synthesis of Benzofuroazepines via Cyclization of (2-Alkynylbenzyl)oxy Nitriles.","The Journal of organic chemistry","2015","80","20","10278","10287","10.1021/acs.joc.5b01884","","","0.71073","MoKα","","0.07","0.0405","","","0.0879","0.1018","","","","","","1.03","","","","has coordinates","234658","2020-10-21","18:00:00",""
"4036417","10.0862","0.0011","16.0872","0.0018","23.252","0.003","74.012","0.004","83.444","0.004","84.65","0.004","3595.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H75 N5 O5 Zn -","- C87 H75 N5 O5 Zn -","- C174 H150 N10 O10 Zn2 -","2","1","","Jinadasa, R. G. Waruna; Fang, Yuanyuan; Kumar, Siddhartha; Osinski, Allen J.; Jiang, Xiaoqin; Ziegler, Christopher J.; Kadish, Karl M.; Wang, Hong","β-Functionalized Push-Pull opp-Dibenzoporphyrins.","The Journal of organic chemistry","2015","80","24","12076","12087","10.1021/acs.joc.5b01906","","","1.54178","CuKα","","0.0678","0.0649","","","0.1826","0.1857","","","","","","1.048","","","","has coordinates","234660","2020-10-21","18:00:00",""
"4036418","15.2394","0.0007","20.1577","0.0012","14.1744","0.0007","90","","90","","90","","4354.3","0.4","295","2","295","2","","","","","","","Synthesis as described","5","P c a 21","P 2c -2ac","29","","8,10-Dimethyl-2,4-diphenyl[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C22 H18 Cl N5 O4 -","- C22 H18 Cl N5 O4 -","- C176 H144 Cl8 N40 O32 -","8","2","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.1062","0.0488","","","0.086","0.1001","","","","","","0.779","","","","has coordinates","234661","2020-10-21","18:00:00",""
"4036419","6.08","0.002","11.239","0.004","16.514","0.007","90","","93.52","0.02","90","","1126.3","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4,9,9-Tetramethyl-11-oxo-12-phenyl-7,8,9,10,11,12- hexahydropyrimido[1',2':1,5][1,2,4]triazolo[3,4-b]quinazolin-5-ium perchlorate","","- C22 H24 Cl N5 O5 -","- C22 H24 Cl N5 O5 -","- C44 H48 Cl2 N10 O10 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","0.71073","MoKα","","0.0581","0.0463","","","0.1096","0.1173","","","","","","0.885","","","","has coordinates","234663","2020-10-21","18:00:00",""
"4036420","10.1218","0.0004","11.7847","0.0005","17.5742","0.0007","108.518","0.003","90.912","0.003","110.463","0.003","1843.21","0.14","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","8,10-Dimethyl-2,4-diphenyl-3,4-dihydro-2H- [1,2,4]triazolo[1,5-a:4,3-a']dipyrimidine","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","2","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.54186","CuKα","","0.077","0.052","","","0.1161","0.1239","","","","","","0.865","","","","has coordinates","234665","2020-10-21","18:00:00",""
"4036421","6.358","0.003","11.396","0.005","16.064","0.006","90","","97.12","0.02","90","","1155","0.9","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","9-(Ethoxycarbonyl)-2,3,4,8-tetramethyl-10-phenyl-7,10- dihydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C21 H24 Cl N5 O6 -","- C21 H24 Cl N5 O6 -","- C42 H48 Cl2 N10 O12 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.0399","0.0376","","","0.104","0.1064","","","","","","1.005","","","","has coordinates","234666","2020-10-21","18:00:00",""
"4036422","35.671","0.008","11.8593","0.0017","11.2791","0.0016","90","","90","","90","","4771.4","1.4","295","2","295","2","","","","","","","Synthesis as described","5","P c c n","-P 2ab 2ac","56","","10,10-Dimethyl-8-oxo-7-phenyl-7,8,9,10,11,12-hexahydropyrimido[1',2':2,3] [1,2,4]triazolo[5,1-b]quinazolin-6-ium perchlorate","","- C20 H20 Cl N5 O5 -","- C20 H20 Cl N5 O5 -","- C160 H160 Cl8 N40 O40 -","8","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.54186","CuKα","","0.0869","0.0432","","","0.0955","0.1125","","","","","","0.893","","","","has coordinates","234667","2020-10-21","18:00:00",""
"4036423","9.9945","0.0003","12.2392","0.0005","13.0852","0.0004","90","","90","","90","","1600.64","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0605","0.056","","","0.1501","0.1541","","","","","","1.099","","","","has coordinates","234669","2020-10-21","18:00:00",""
"4036424","7.1026","0.0003","10.6355","0.0005","15.9122","0.0006","90","","90","","90","","1202","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0476","0.044","","","0.1102","0.1121","","","","","","1.005","","","","has coordinates","234670","2020-10-21","18:00:00",""
"4036425","16.2307","0.0004","8.9399","0.0002","10.0149","0.0003","90","","92.635","0.002","90","","1451.63","0.07","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0293","0.0276","","","0.0684","0.0695","","","","","","1.054","","","","has coordinates","234672","2020-10-21","18:00:00",""
"4036426","11.188","0.004","21.229","0.008","7.164","0.003","90","","90","","90","","1701.5","1.1","173.15","","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Li, Ming; Kong, Xiang-Jing; Wen, Li-Rong","Yb(OTf)3-Mediated Access to Furans from β-Ketothioamides via Eschenmoser Sulfide Contraction Reaction.","The Journal of organic chemistry","2015","80","24","11999","12005","10.1021/acs.joc.5b01924","","","0.71073","MoKα","","0.1109","0.0857","","","0.1288","0.142","","","","","","1.104","","","","has coordinates","234674","2020-10-21","18:00:00",""
"4036427","9.5132","0.0009","13.7101","0.0012","21.3394","0.0019","90","","90","","90","","2783.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Huang, You-ming; Zheng, Chang-wu; Pan, Lu; Jin, Qiao-wen; Zhao, Gang","Palladium(II)-Catalyzed Formal [3 + 2] Cycloaddition of Aziridines with 3-Substituted Indoles: Synthesis of Enantioenriched Pyrroloindolines.","The Journal of organic chemistry","2015","80","21","10710","10718","10.1021/acs.joc.5b01931","","","0.71073","MoKα","","0.064","0.0384","","","0.0782","0.0864","","","","","","0.972","","","","has coordinates","234676","2020-10-21","18:00:00",""
"4036428","12.649","0.004","11.438","0.003","14.333","0.004","90","","91.207","0.005","90","","2073.2","1","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18.67 Cl N3 O2.34 -","- C25 H18 Cl N3 O2.336 -","- C100 H72 Cl4 N12 O9.344 -","4","1","","Li, Jun-Hua; Feng, Ting-Fan; Du, Da-Ming","Construction of Spirocyclopropane-Linked Heterocycles Containing Both Pyrazolones and Oxindoles through Michael/Alkylation Cascade Reactions.","The Journal of organic chemistry","2015","80","22","11369","11377","10.1021/acs.joc.5b01940","","","0.71073","MoKα","","0.0856","0.0666","","","0.1642","0.1787","","","","","","1.003","","","","has coordinates","234678","2020-10-21","18:00:00",""
"4036429","11.3083","0.0006","7.5075","0.0004","30.7521","0.0018","90","","90","","90","","2610.8","0.2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Chen, Jijun; Shao, Ying; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Metal-Free Coupling of 2-Vinylphenols and Carboxylic Acids: An Access to 3-Acyloxy-2,3-dihydrobenzofurans.","The Journal of organic chemistry","2015","80","21","10734","10741","10.1021/acs.joc.5b01941","","","0.71073","MoKα","","0.0956","0.0563","","","0.1135","0.1273","","","","","","1.071","","","","has coordinates","234680","2020-10-21","18:00:00",""
"4036430","10.159","0.011","10.402","0.01","11.754","0.013","99.353","0.014","107.006","0.016","92.428","0.016","1167","2","193.1","","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl N2 O S -","- C28 H21 Cl N2 O S -","- C56 H42 Cl2 N4 O2 S2 -","2","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0883","0.057","","","0.1478","0.1744","","","","","","1.034","","","","has coordinates","234682","2020-10-21","18:00:00",""
"4036431","12.807","0.004","8.392","0.002","21.506","0.007","90","","104.549","0.004","90","","2237.3","1.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 N2 S -","- C29 H22 N2 S -","- C116 H88 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.096","0.0579","","","0.1579","0.2117","","","","","","1.07","","","","has coordinates","234683","2020-10-21","18:00:00",""
"4036432","9.624","0.003","24.158","0.008","10.334","0.003","90","","90","","90","","2402.6","1.3","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H30 N2 S -","- C31 H30 N2 S -","- C124 H120 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0999","0.0648","","","0.1061","0.1194","","","","","","1.082","","","","has coordinates","234684","2020-10-21","18:00:00",""
"4036433","11.19","0.003","16.745","0.004","13.133","0.003","90","","96.887","0.004","90","","2443.1","1","193.1","","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C132 H96 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.099","0.0646","","","0.126","0.1411","","","","","","1.078","","","","has coordinates","234686","2020-10-21","18:00:00",""
"4036434","13.164","0.005","18.507","0.007","18.469","0.007","90","","107.362","0.005","90","","4295","3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N3 S -","- C27 H21 N3 S -","- C216 H168 N24 S8 -","8","2","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.1393","0.0901","","","0.1917","0.2327","","","","","","1.16","","","","has coordinates","234687","2020-10-21","18:00:00",""
"4036435","10.1218","0.0002","22.246","0.0003","12.1236","0.0002","90","","107.125","0.0008","90","","2608.83","0.08","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N4 S -","- C31 H30 N4 S -","- C124 H120 N16 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0405","0.0375","","","0.0974","0.1001","","","","","","1.047","","","","has coordinates","234690","2020-10-21","18:00:00",""
"4036436","6.6821","0.0003","9.196","0.0004","15.8865","0.0006","96.246","0.004","100.362","0.003","110.893","0.003","881.11","0.07","191","2","191","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 N2 O6 -","- C21 H16 N2 O6 -","- C42 H32 N4 O12 -","2","2","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.1188","0.0611","","","0.1109","0.1342","","","","","","1.383","","","","has coordinates","234692","2020-10-21","18:00:00",""
"4036437","13.0454","0.0003","5.641","0.0001","15.4322","0.0003","90","","94.035","0.001","90","","1132.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0286","0.0279","","","0.0654","0.0659","","","","","","1.926","","","","has coordinates","234693","2020-10-21","18:00:00",""
"4036438","13.1669","0.0004","6.0551","0.0002","13.8168","0.0004","90","","94.548","0.002","90","","1098.1","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0386","0.0355","","","0.079","0.08","","","","","","1.82","","","","has coordinates","234695","2020-10-21","18:00:00",""
"4036439","9.367","0.01","9.367","0.01","49.29","0.09","90","","90","","120","","3745","9","164","2","164","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H26 N2 O8 -","- C26 H26 N2 O8 -","- C156 H156 N12 O48 -","6","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.121","0.099","","","0.1474","0.1607","","","","","","1.188","","","","has coordinates","234697","2020-10-21","18:00:00",""
"4036440","13.6204","0.0003","5.6215","0.0001","17.7068","0.0004","90","","112.213","0.001","90","","1255.14","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 Cl2 N2 O6 -","- C28 H22 Cl2 N2 O6 -","- C56 H44 Cl4 N4 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0244","0.0242","","","0.063","0.0632","","","","","","1.055","","","","has coordinates,has disorder","234698","2020-10-21","18:00:00",""
"4036441","8.0182","0.0001","14.4498","0.0002","16.8318","0.0002","90","","100.291","0.0017","90","","1918.78","0.04","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 F2 N O3 P -","- C19 H22 F2 N O3 P -","- C76 H88 F8 N4 O12 P4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade.","The Journal of organic chemistry","2015","80","21","10806","10816","10.1021/acs.joc.5b01982","","x-ray","0.71073","MoKα","","0.0527","0.044","","","0.116","0.122","","","","","","1.062","","","","has coordinates,has disorder","234699","2020-10-21","18:00:00",""
"4036442","11.8026","0.0002","11.7519","0.0002","17.7173","0.0003","90","","98.8047","0.0017","90","","2428.48","0.07","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Br Cl3 N2 O P -","- C25 H19 Br Cl3 N2 O P -","- C100 H76 Br4 Cl12 N8 O4 P4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade.","The Journal of organic chemistry","2015","80","21","10806","10816","10.1021/acs.joc.5b01982","","x-ray","0.71073","MoKα","","0.041","0.029","","","0.0652","0.0701","","","","","","1.009","","","","has coordinates","234699","2020-10-21","18:00:00",""
"4036443","9.676","0.0004","13.6599","0.0005","16.9725","0.0006","90","","90","","90","","2243.31","0.15","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Phenyl((1R,2R,4S,5S,8r)-tricyclo[3.2.1.0^2,4^]octan-8-yl)methanone","","- C15 H16 O -","- C15 H16 O -","- C120 H128 O8 -","8","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.0701","0.0462","","","0.1173","0.1313","","","","","","1.03","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036444","6.132","0.0002","10.695","0.0003","18.0264","0.0005","90","","90","","90","","1182.2","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-((1R,2R,4S,5S,8r)-8-Phenyltricyclo[3.2.1.0^2,4^]octan-8-yl) ethan-1-one","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.061","0.044","","","0.1008","0.1099","","","","","","1.048","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036445","12.1351","0.0013","10.8659","0.0012","28.897","0.003","90","","90.356","0.002","90","","3810.2","0.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F3 N O -","- C24 H18 F3 N O -","- C192 H144 F24 N8 O8 -","8","2","","Liu, Kai; Chen, Shuang; Li, Xing Guang; Liu, Pei Nian","Multicomponent Cascade Synthesis of Trifluoroethyl Isoquinolines from Alkynes and Vinyl Azides.","The Journal of organic chemistry","2016","81","1","265","270","10.1021/acs.joc.5b01995","","","0.71073","MoKα","","0.0761","0.0435","","","0.0941","0.1101","","","","","","0.989","","","","has coordinates","234701","2020-10-21","18:00:00",""
"4036446","14.013","0.006","6.262","0.002","18.876","0.007","90","","111.247","0.006","90","","1543.8","1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C76 H64 Br4 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.0367","0.0329","","","0.0674","0.0691","","","","","","1.117","","","","has coordinates","234703","2020-10-21","18:00:00",""
"4036447","9.787","0.004","10.989","0.004","13.498","0.005","90","","103.78","0.005","90","","1409.9","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.0702","0.0645","","","0.1251","0.1275","","","","","","1.239","","","","has coordinates","234704","2020-10-21","18:00:00",""
"4036448","11.514","0.003","7.897","0.002","16.978","0.005","90","","106.212","0.003","90","","1482.4","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.073","0.0622","","","0.1191","0.1345","","","","","","1.219","","","","has coordinates","234706","2020-10-21","18:00:00",""
"4036449","6.0574","0.001","7.8021","0.0013","21.834","0.004","90","","93.715","0.003","90","","1029.7","0.3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C48 H48 Fe2 N4 O8 -","2","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0346","0.03","","","0.0712","0.0723","","","","","","0.987","","","","has coordinates","234707","2020-10-21","18:00:00",""
"4036450","5.962","0.002","15.826","0.006","22.366","0.009","90","","90","","90","","2110.3","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C96 H96 Fe4 N8 O16 -","4","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0624","0.0492","","","0.1132","0.1263","","","","","","0.746","","","","has coordinates","234708","2020-10-21","18:00:00",""
"4036451","11.635","0.004","8.427","0.003","41.37","0.015","90","","90","","90","","4056","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H32 N2 O5 Si -","- C17 H32 N2 O5 Si -","- C136 H256 N16 O40 Si8 -","8","1","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.1572","0.0865","","","0.1747","0.2014","","","","","","1.062","","","","has coordinates","234709","2020-10-21","18:00:00",""
"4036452","8.366","0.002","9.56","0.002","11.005","0.002","113.946","0.009","107.506","0.011","92.316","0.013","753.7","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","2","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.0457","0.039","","","0.07","0.0735","","","","","","1.087","","","","has coordinates","234711","2020-10-21","18:00:00",""
"4036453","10.7298","0.0004","10.7298","0.0004","35.04","0.003","90","","90","","90","","4034.1","0.4","130","0.2","130","0.2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C160 H176 N32 O40 -","8","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","0.71073","MoKα","","0.0688","0.0444","","","0.083","0.0891","","","","","","0.888","","","","has coordinates","234712","2020-10-21","18:00:00",""
"4036454","6.1597","0.0012","24.878","0.005","7.5576","0.0015","90","","111.066","0.003","90","","1080.7","0.4","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br2 O3 -","- C10 H14 Br2 O3 -","- C40 H56 Br8 O12 -","4","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","0.71073","MoKα","","0.0372","0.03","","","0.0726","0.0747","","","","","","1.076","","","","has coordinates","234714","2020-10-21","18:00:00",""
"4036455","5.8916","0.0002","9.3511","0.0003","37.0887","0.0011","90","","90","","90","","2043.33","0.11","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O7 -","- C22 H24 N2 O7 -","- C88 H96 N8 O28 -","4","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","1.5418","CuKα","","0.0809","0.0576","","","0.1248","0.132","","","","","","1.042","","","","has coordinates","234715","2020-10-21","18:00:00",""
"4036456","8.512","0.002","12.728","0.004","17.319","0.005","70.654","0.006","81.59","0.006","89.144","0.006","1750.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 B N -","- C44 H44 B N -","- C88 H88 B2 N2 -","2","1","","Wang, Chen; Xu, Qing-Wen; Zhang, Wei-Ning; Peng, Qian; Zhao, Cui-Hua","Charge-Transfer Emission in Organoboron-Based Biphenyls: Effect of Substitution Position and Conformation.","The Journal of organic chemistry","2015","80","21","10914","10924","10.1021/acs.joc.5b02038","","","0.71","MoKα","","0.1836","0.064","","","0.1317","0.1903","","","","","","0.905","","","","has coordinates","234717","2020-10-21","18:00:00",""
"4036457","14.43","0.002","14.644","0.0018","10.8744","0.0019","90","","92.153","0.013","90","","2296.3","0.6","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C100 H124 N4 O12 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1955","0.1184","","","0.2532","0.2893","","","","","","1.096","","","","has coordinates","234718","2020-10-21","18:00:00",""
"4036458","10.0969","0.0003","9.8861","0.0003","18.7766","0.0006","90","","95.477","0.003","90","","1865.7","0.1","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.0458","0.036","","","0.0859","0.0913","","","","","","1.035","","","","has coordinates","234719","2020-10-21","18:00:00",""
"4036459","10.6203","0.0006","6.8903","0.0005","37.158","0.003","90","","90.063","0.006","90","","2719.1","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 N O3 -","- C29 H31 Cl2 N O3 -","- C116 H124 Cl8 N4 O12 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1542","0.0859","","","0.1968","0.234","","","","","","1.056","","","","has coordinates","234720","2020-10-21","18:00:00",""
"4036460","10.2004","0.0005","13.5681","0.0006","33.3943","0.0014","94.499","0.004","92.879","0.004","90.481","0.004","4601.4","0.4","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C208 H216 N8 O24 -","8","4","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1904","0.0696","","","0.0891","0.1201","","","","","","0.97","","","","has coordinates","234722","2020-10-21","18:00:00",""
"4036461","22.8455","0.0005","17.7889","0.0003","12.171","0.0003","90","","93.475","0.001","90","","4937.16","0.18","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N2 O4 Si -","- C24 H38 N2 O4 Si -","- C192 H304 N16 O32 Si8 -","8","2","","Hinze, Meagan E.; Daughtry, Jessica L.; Lewis, Chad A.","Access to the Surugatoxin Alkaloids: Chemo-, Regio-, and Stereoselective Oxindole Annulation.","The Journal of organic chemistry","2015","80","22","11258","11265","10.1021/acs.joc.5b02053","","","0.71073","MoKα","","0.0935","0.0522","","","0.1255","0.1488","","","","","","1.008","","","","has coordinates","234723","2020-10-21","18:00:00",""
"4036462","12.326","0.002","8.3378","0.0015","16.792","0.003","90","","109.366","0.004","90","","1628.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0919","0.0513","","","0.1464","0.171","","","","","","1.057","","","","has coordinates","234725","2020-10-21","18:00:00",""
"4036463","10.4215","0.0015","13.6655","0.0019","13.0813","0.0019","90","","105.12","0.003","90","","1798.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0659","0.0475","","","0.1443","0.1617","","","","","","1.024","","","","has coordinates","234726","2020-10-21","18:00:00",""
"4036464","8.024","0.002","9.535","0.003","13.836","0.004","87.961","0.006","81.861","0.006","69.892","0.006","983.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao","2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.","The Journal of organic chemistry","2016","81","1","43","50","10.1021/acs.joc.5b02054","","","0.71073","MoKα","","0.0603","0.0499","","","0.1349","0.1414","","","","","","1.088","","","","has coordinates","234727","2020-10-21","18:00:00",""
"4036465","13.442","0.002","33.697","0.006","3.8454","0.0006","90","","90","","90","","1741.8","0.5","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Lee, Che-Wei; Liu, En-Chih; Wu, Yao-Ting","Palladium-Catalyzed Reaction of Haloarenes with Diarylethynes: Synthesis, Structural Analysis, and Properties of Methylene-Bridged Arenes.","The Journal of organic chemistry","2015","80","21","10446","10456","10.1021/acs.joc.5b02111","","","0.71073","MoKα","","0.0686","0.0572","","","0.1203","0.1244","","","","","","1.148","","","","has coordinates","234729","2020-10-21","18:00:00",""
"4036466","6.3582","0.0004","8.2725","0.0005","46.165","0.003","90","","90","","90","","2428.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N4 O5 -","- C24 H23 Br N4 O5 -","- C96 H92 Br4 N16 O20 -","4","1","","Lee, Hyo-Jun; Cho, Chang-Woo","Enantioselective Phase-Transfer-Catalyzed Synthesis of Chiral N-Substituted 3,3-Dinitroazetidines by Aza-Michael Reaction.","The Journal of organic chemistry","2015","80","22","11435","11440","10.1021/acs.joc.5b02124","","","1.54178","CuKα","","0.0586","0.0544","","","0.1419","0.1455","","","","","","1.052","","","","has coordinates","234731","2020-10-21","18:00:00",""
"4036467","6.145","0.0004","8.425","0.0005","17.675","0.0008","95.659","0.006","95.515","0.006","99.965","0.005","890.87","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C44 H40 O4 S2 -","2","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0645","0.0456","","","0.1129","0.1239","","","","","","1.083","","","","has coordinates","234733","2020-10-21","18:00:00",""
"4036468","16.029","0.0013","16.027","0.005","21.723","0.006","90","","90.705","0.011","90","","5580","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C256 H256 O32 S16 -","16","4","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.2234","0.1249","","","0.3155","0.4009","","","","","","1.002","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4036469","5.714","0.0006","17.385","0.002","19.291","0.003","90","","97.533","0.008","90","","1899.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 S -","- C23 H22 O2 S -","- C92 H88 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.1561","0.0626","","","0.1281","0.1633","","","","","","0.969","","","","has coordinates","234735","2020-10-21","18:00:00",""
"4036470","11.471","0.0008","7.889","0.0007","15.246","0.001","90","","93.537","0.008","90","","1377.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0989","0.0593","","","0.1434","0.1648","","","","","","1.047","","","","has coordinates","234736","2020-10-21","18:00:00",""
"4036471","30.883","0.006","14.684","0.003","8.1485","0.0015","90","","91.665","0.003","90","","3693.7","1.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 -","- C56 H34 -","- C224 H136 -","4","0.5","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","0.7085","synchrotron","","0.0547","0.047","","","0.1359","0.1439","","","","","","1.047","","","","has coordinates","234738","2020-10-21","18:00:00",""
"4036472","13.1052","0.0005","13.4575","0.0004","16.6219","0.0005","102.829","0.003","92.996","0.003","104.207","0.003","2753.16","0.17","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H18 -","- C28 H18 -","- C168 H108 -","6","3","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","1.54184","CuKα","","0.0524","0.0446","","","0.1164","0.1235","","","","","","1.018","","","","has coordinates","234739","2020-10-21","18:00:00",""
"4036473","11.3528","0.0006","12.4313","0.0007","19.1537","0.001","90","","90","","90","","2703.2","0.3","150","2","150","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","0.71073","MoKα","","0.06","0.0465","","","0.1157","0.1219","","","","","","1.075","","","","has coordinates","234741","2020-10-21","18:00:00",""
"4036474","7.1014","0.0008","4.5936","0.0005","17.649","0.002","90","","98.661","0.003","90","","569.16","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N -","- C17 H11 N -","- C34 H22 N2 -","2","0.5","","Han, Wenyong; Zhou, Xiaojian; Yang, Siyi; Xiang, Guangyan; Cui, Baodong; Chen, Yongzheng","Palladium-Catalyzed Nucleophilic Substitution/C-H Activation/Aromatization Cascade Reaction: One Approach To Construct 6-Unsubstituted Phenanthridines.","The Journal of organic chemistry","2015","80","22","11580","11587","10.1021/acs.joc.5b02145","","","0.71073","MoKα","","0.0506","0.0376","","","0.0956","0.1043","","","","","","1.076","","","","has coordinates,has disorder","234742","2020-10-21","18:00:00",""
"4036475","7.2031","0.0005","9.4082","0.0005","10.7921","0.0007","76.882","0.002","77.792","0.003","71.232","0.002","666.76","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-hydroxy-5-methyl quinolinium chloride 3-carboxylate","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C26 H28 Cl2 N2 O6 -","2","1","","Horta, Pedro; Kuş, Nihal; Henriques, Marta Sofia C.; Paixão, José A; Coelho, Lis; Nogueira, Fátima; O'Neill, Paul M; Fausto, Rui; Cristiano, Maria Lurdes Santos","Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity.","The Journal of organic chemistry","2015","80","24","12244","12257","10.1021/acs.joc.5b02169","","","0.71073","MoKα","","0.1271","0.0559","","","0.1377","0.1661","","","","","","1.018","","","","has coordinates,has disorder","234744","2020-10-21","18:00:00",""
"4036476","7.1677","0.0009","8.7831","0.001","12.2082","0.0014","83.465","0.006","74.368","0.006","85.537","0.007","734.43","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-[(3-methylphenylamino)methylene]malonate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Horta, Pedro; Kuş, Nihal; Henriques, Marta Sofia C.; Paixão, José A; Coelho, Lis; Nogueira, Fátima; O'Neill, Paul M; Fausto, Rui; Cristiano, Maria Lurdes Santos","Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity.","The Journal of organic chemistry","2015","80","24","12244","12257","10.1021/acs.joc.5b02169","","","0.71073","","","0.1114","0.0532","","","0.1403","0.1864","","","","","","1.014","","","","has coordinates","234745","2020-10-21","18:00:00",""
"4036477","9.631","0.003","14.176","0.004","13.662","0.004","90","","107.142","0.003","90","","1782.4","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","0.71073","MoKα","","0.0663","0.0444","","","0.103","0.1412","","","","","","1.114","","","","has coordinates","234746","2020-10-21","18:00:00",""
"4036478","9.1671","0.0006","11.7222","0.0007","15.8315","0.001","90","","101.753","0.001","90","","1665.56","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","1.54178","CuKα","","0.0384","0.0358","","","0.1002","0.1094","","","","","","1.128","","","","has coordinates","234747","2020-10-21","18:00:00",""
"4036479","9.0012","0.0009","11.5929","0.0011","15.911","0.0017","90","","106.194","0.001","90","","1594.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O2 -","- C17 H21 N3 O2 -","- C68 H84 N12 O8 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","0.71073","MoKα","","0.0362","0.0323","","","0.0799","0.0827","","","","","","1.063","","","","has coordinates","234748","2020-10-21","18:00:00",""
"4036480","6.3703","0.0009","12.1555","0.0018","15.503","0.002","108.683","0.002","98.291","0.002","100.081","0.002","1093.5","0.3","100.03","","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 N4 O P S -","- C23 H25 N4 O P S -","- C46 H50 N8 O2 P2 S2 -","2","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0385","0.0316","","","0.0775","0.0807","","","","","","1.037","","","","has coordinates","234750","2020-10-21","18:00:00",""
"4036481","18.5763","0.0009","9.734","0.0005","19.8284","0.001","90","","90","","90","","3585.4","0.3","100","","99.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N2 O3 P -","- C20 H23 N2 O3 P -","- C160 H184 N16 O24 P8 -","8","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0388","0.0298","","","0.0768","0.0807","","","","","","0.999","","","","has coordinates","234751","2020-10-21","18:00:00",""
"4036482","7.4575","0.0005","18.2889","0.0011","9.166","0.0006","90","","91.2782","0.0009","90","","1249.83","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-methoxy-3-methyl-2-(phenylselanyl)phenol","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Shao, Wenjie; Clive, Derrick L. J.","A Family of Routes to Substituted Phenols, Including Meta-Substituted Phenols.","The Journal of organic chemistry","2015","80","24","12280","12287","10.1021/acs.joc.5b02187","","","0.71073","MoKα","","0.0486","0.0358","","","0.0885","0.0961","","","","","","1.046","","","","has coordinates","234754","2020-10-21","18:00:00",""
"4036483","21.702","0.002","8.0436","0.0009","14.12","0.0015","90","","96.518","0.001","90","","2448.9","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N O S -","- C33 H25 N O S -","- C132 H100 N4 O4 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0526","0.0454","","","0.1254","0.1305","","","","","","1.052","","","","has coordinates","276320","2022-06-28","13:45:49",""
"4036484","8.792","0.002","11.707","0.003","13.616","0.004","103.38","0.003","99.02","0.003","94.318","0.003","1337.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N3 S -","- C36 H25 N3 S -","- C72 H50 N6 S2 -","2","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.072","0.0624","","","0.1665","0.1722","","","","","","1.055","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036485","13.8969","0.0012","7.9974","0.0007","21.6888","0.0019","90","","90","","90","","2410.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H25 N O S -","- C33 H25 N O S -","- C132 H100 N4 O4 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0755","0.0749","","","0.1921","0.1933","","","","","","1.034","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036486","17.2464","0.0012","11.4732","0.0008","14.313","0.001","90","","108.764","0.001","90","","2681.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N3 S -","- C36 H25 N3 S -","- C144 H100 N12 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0515","0.0393","","","0.1043","0.1092","","","","","","1.029","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036487","8.615","0.001","29.296","0.003","19.944","0.002","90","","99.955","0.002","90","","4957.8","0.9","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C264 H192 N16 S8 -","8","2","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0566","0.0413","","","0.1019","0.1081","","","","","","1.007","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036488","21.543","0.005","8.059","0.002","13.926","0.003","90","","92.104","0.006","90","","2416.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C132 H96 N8 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.056","0.0468","","","0.1162","0.1231","","","","","","1.022","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036489","21.7182","0.001","7.9668","0.0004","14.0081","0.0006","90","","95.08","0.001","90","","2414.22","0.19","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O2 S -","- C32 H24 N2 O2 S -","- C128 H96 N8 O8 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0472","0.04","","","0.1233","0.1339","","","","","","1.054","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036490","8.1798","0.0002","18.7387","0.0005","26.748","0.0008","90","","90","","90","","4099.9","0.19","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H19 N O2 -","- C29 H19 N O2 -","- C232 H152 N8 O16 -","8","1","","Fischer, Fabian; Siegle, Alexander F.; Checinski, Marek; Fischer, Christine; Kral, Karolin; Thede, Richard; Trapp, Oliver; Hapke, Marko","Synthesis of Naphthylpyridines from Unsymmetrical Naphthylheptadiynes and the Configurational Stability of the Biaryl Axis.","The Journal of organic chemistry","2016","81","8","3087","3102","10.1021/acs.joc.5b02190","","","1.54178","CuKα","","0.0372","0.0337","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","234764","2020-10-21","18:00:00",""
"4036491","20.57","0.007","15.208","0.005","16.16","0.005","90","","91.127","0.009","90","","5054","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Methyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine_(6b","6B","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C224 H144 F48 N32 -","16","4","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2221","0.101","","","0.2003","0.252","","","","","","1.042","","","","has coordinates,has disorder","234766","2020-10-21","18:00:00",""
"4036492","11.813","0.009","11.294","0.009","18.965","0.014","90","","107.73","0.011","90","","2410","3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-Methyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine","5B","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","2","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2217","0.1161","","","0.3044","0.3475","","","","","","1.096","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4036493","8.109","0.003","12.25","0.005","21.727","0.009","76.874","0.007","81.153","0.009","80.376","0.008","2057.2","1.4","298","","298","","","","","","","","","4","P -1","-P 1","2","12","(Z)-3-(Diphenylboryloxy)-1,3-diphenylprop-2-en-1-one","","- C54 H42 B2 O4 -","- C27 H21 B O2 -","- C108 H84 B4 O8 -","4","2","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2133","0.1655","","","0.4455","0.4658","","","","","","1.433","","","","has coordinates","234768","2020-10-21","18:00:00",""
"4036494","8.036","0.002","23.367","0.006","11.456","0.003","90","","104.521","0.009","90","","2082.5","0.9","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-azobenzene-F","(Z)-1-(2-fluorophenyl)-2-phenyldiazene","","- C12 H9 F N2 -","- C12 H9 F N2 -","- C96 H72 F8 N16 -","8","2","","Rastogi, S. K.; Rogers, R. A.; Shi, J.; Gao, C.; Rinaldi, P. L.; Brittain, W. J.","Conformational Dynamics of o-Fluoro-Substituted Z-Azobenzene.","The Journal of organic chemistry","2015","80","22","11485","11490","10.1021/acs.joc.5b02202","","","0.71075","MoKα","","0.261","0.1127","","","0.323","0.4278","","","","","","1.021","","","","has coordinates","234769","2020-10-21","18:00:00",""
"4036495","10.2984","0.001","10.7386","0.0011","11.0409","0.0011","117.583","0.002","107.719","0.002","91.208","0.002","1011.74","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Br N O -","- C23 H26 Br N O -","- C46 H52 Br2 N2 O2 -","2","1","","Kong, Lingkai; Shao, Yushang; Li, Yanli; Liu, Yuanyuan; Li, Yanzhong","LDA-Promoted Synthesis of 3-Amino Furans by Selective Lithiation of Enaminones.","The Journal of organic chemistry","2015","80","24","12641","12645","10.1021/acs.joc.5b02211","","","0.71073","MoKα","","0.0442","0.0362","","","0.0895","0.0935","","","","","","1.063","","","","has coordinates","234771","2020-10-21","18:00:00",""
"4036496","18.1196","0.001","10.6097","0.0006","16.4832","0.0009","90","","109.519","0.001","90","","2986.7","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Lvov, Andrey G.; Shirinian, Valerii Z.; Zakharov, Alexey V.; Krayushkin, Mikhail M.; Kachala, Vadim V.; Zavarzin, Igor V.","General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes.","The Journal of organic chemistry","2015","80","22","11491","11500","10.1021/acs.joc.5b02237","","","0.71073","MoKα","","0.0515","0.0417","","","0.1052","0.114","","","","","","1.038","","","","has coordinates","234773","2020-10-21","18:00:00",""
"4036497","8.7176","0.0007","8.9415","0.0011","11.6509","0.0009","80.906","0.002","68.2812","0.0014","68.3448","0.0013","783.91","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N O S -","- C21 H17 N O S -","- C42 H34 N2 O2 S2 -","2","1","","Lvov, Andrey G.; Shirinian, Valerii Z.; Zakharov, Alexey V.; Krayushkin, Mikhail M.; Kachala, Vadim V.; Zavarzin, Igor V.","General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes.","The Journal of organic chemistry","2015","80","22","11491","11500","10.1021/acs.joc.5b02237","","","0.71073","MoKα","","0.0701","0.0565","","","0.1311","0.1401","","","","","","1.031","","","","has coordinates,has disorder","234774","2020-10-21","18:00:00",""
"4036498","14.4818","0.0007","8.7184","0.0004","23.3607","0.0011","90","","107.755","0.005","90","","2809","0.2","293.33","0.1","293.33","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 Br F N O5 -","- C30 H27 Br F N2 O4 -","- C120 H108 Br4 F4 N8 O16 -","4","2","","Liu, Xihong; Zhang, Jinlong; Zhao, Long; Ma, Shixiong; Yang, Dongxu; Yan, Wenjin; Wang, Rui","Construction of Vicinal Tetrasubstituted Stereocenters with a C-F Bond through a Catalytic Enantioselective Detrifluoroacetylative Mannich Reaction.","The Journal of organic chemistry","2015","80","24","12651","12658","10.1021/acs.joc.5b02238","","x-ray","0.71073","MoKα","","0.1663","0.0589","","","0.111","0.1663","","","","","","0.884","","","","has coordinates,has disorder","234776","2020-10-21","18:00:00",""
"4036499","9.5256","0.0007","9.8263","0.001","14.0527","0.0011","90","","90","","90","","1315.35","0.19","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Chen, Lin; Wu, Zhi-Jun; Zhang, Ming-Liang; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Cyclization Cascade Reactions of 3-Hydroxyoxindoles/3-Aminooxindoles with α,β-Unsaturated Acyl Phosphonates for the Construction of Spirocyclic Oxindole-γ-lactones/lactams.","The Journal of organic chemistry","2015","80","24","12668","12675","10.1021/acs.joc.5b02253","","","0.71073","MoKα","","0.1078","0.059","","","0.1325","0.1715","","","","","","1.083","","","","has coordinates","234778","2020-10-21","18:00:00",""
"4036500","6.1038","0.0009","16.2799","0.0019","19.802","0.003","86.77","0.011","89.29","0.014","80.555","0.017","1937.9","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C96 H68 N12 O12 -","4","2","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds.","The Journal of organic chemistry","2015","80","24","12379","12396","10.1021/acs.joc.5b02264","","","0.71075","MoKα","","0.1731","0.1155","","","0.3524","0.4024","","","","","","1.163","","","","has coordinates","234780","2020-10-21","18:00:00",""
"4036501","12.6317","0.0013","15.1405","0.0016","7.116","0.0008","90","","94.535","0.005","90","","1356.7","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N3 O -","- C17 H12 F N3 O -","- C68 H48 F4 N12 O4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds.","The Journal of organic chemistry","2015","80","24","12379","12396","10.1021/acs.joc.5b02264","","","0.71073","MoKα","","0.1627","0.094","","","0.2348","0.3668","","","","","","1.182","","","","has coordinates","234781","2020-10-21","18:00:00",""
"4036502","14.805","0.011","6.314","0.004","25.22","0.02","90","","98.032","0.011","90","","2334","3","293","2","293","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C104 H64 Cl8 N24 O8 -","8","1","","Anand, Devireddy; Patel, Om P. S.; Maurya, Rahul K.; Kant, Ruchir; Yadav, Prem P.","Substrate Controlled Synthesis of Benzisoxazole and Benzisothiazole Derivatives via PhI(OAc)2-Mediated Oxidation Followed by Intramolecular Oxidative O-N/S-N Bond Formation.","The Journal of organic chemistry","2015","80","24","12410","12419","10.1021/acs.joc.5b02276","","","0.71075","MoKα","","0.1676","0.0873","","","0.1863","0.2369","","","","","","0.728","","","","has coordinates","234782","2020-10-21","18:00:00",""
"4036503","12.5612","0.0007","7.0515","0.0003","15.0777","0.0008","90","","109.371","0.006","90","","1259.91","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Cindro, Nikola; Antol, Ivana; Mlinarić-Majerski, Kata; Halasz, Ivan; Wan, Peter; Basarić, Nikola","Reactivity of Cations and Zwitterions Formed in Photochemical and Acid-Catalyzed Reactions from m-Hydroxycycloalkyl-Substituted Phenol Derivatives.","The Journal of organic chemistry","2015","80","24","12420","12430","10.1021/acs.joc.5b02297","","","0.71073","MoKα","","0.2274","0.0825","","","0.2152","0.2643","","","","","","0.738","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036504","6.5381","0.0001","16.2344","0.0002","13.3793","0.0002","90","","100.433","0.001","90","","1396.63","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Cindro, Nikola; Antol, Ivana; Mlinarić-Majerski, Kata; Halasz, Ivan; Wan, Peter; Basarić, Nikola","Reactivity of Cations and Zwitterions Formed in Photochemical and Acid-Catalyzed Reactions from m-Hydroxycycloalkyl-Substituted Phenol Derivatives.","The Journal of organic chemistry","2015","80","24","12420","12430","10.1021/acs.joc.5b02297","","","1.54184","CuKα","","0.048","0.0465","","","0.1233","0.1247","","","","","","1.038","","","","has coordinates","234785","2020-10-21","18:00:00",""
"4036505","8.3623","0.0005","9.5799","0.0005","10.5979","0.0006","103.936","0.005","91.136","0.005","111.334","0.005","762.1","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O3 -","- C13 H14 N6 O3 -","- C26 H28 N12 O6 -","2","1","","Erhardt, Hellmuth; Häring, Andreas P; Kotthaus, Andreas; Roggel, Markus; Tong, My Linh; Biallas, Phillip; Jübermann, Martin; Mohr, Fabian; Kirsch, Stefan F.","Geminal Diazides Derived from 1,3-Dicarbonyls: A Protocol for Synthesis.","The Journal of organic chemistry","2015","80","24","12460","12469","10.1021/acs.joc.5b02328","","x-ray","0.71073","MoKα","","0.0562","0.0412","","","0.0929","0.1015","","","","","","1.032","","","","has coordinates","234786","2020-10-21","18:00:00",""
"4036506","6.7926","0.0005","14.0221","0.0009","16.7829","0.0011","90","","90","","90","","1598.51","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-([1,1'-biphenyl]-2,2'-diyl)-bis(N-methylacetamide)","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0509","0.0427","","","0.1242","0.1388","","","","","","1.091","","","","has coordinates","276330","2022-06-28","15:14:19",""
"4036507","9.7641","0.0004","8.7428","0.0003","17.2364","0.0007","90","","101.718","0.002","90","","1440.73","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Biphenyl-2,2'-diamine acetamide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0894","0.0759","","","0.2292","0.2399","","","","","","1.135","","","","has coordinates","276330","2022-06-28","15:14:20",""
"4036508","13.1234","0.0004","15.3338","0.0004","16.3896","0.0005","90","","90","","90","","3298.11","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","1,1'-Biphenyl-2,2'-diamine bis(trifluoromethylacetamide)","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C128 H80 F48 N16 O16 -","8","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0464","0.0356","","","0.0838","0.0943","","","","","","1.065","","","","has coordinates,has disorder","276330","2022-06-28","15:14:20",""
"4036509","18.2405","0.0008","7.4669","0.0004","27.6578","0.0012","90","","90","","90","","3767","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1'-Biphenyl-2,2'-diamine diisobutyramide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","2","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0973","0.0682","","","0.1686","0.1913","","","","","","0.975","","","","has coordinates","276330","2022-06-28","15:14:20",""
"4036510","8.3426","0.0003","7.7556","0.0003","30.44","0.001","90","","93.011","0.002","90","","1966.81","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-iodo-5-phenyl-2-(3,4,5-trimethoxybenzoyl)selenophene","(4-iodo-5-phenylselenophene-2yl)(3,4,5-trimethoxybenzoyl)methanone","","- C20 H17 I O4 Se -","- C20 H17 I O4 Se -","- C80 H68 I4 O16 Se4 -","4","1","","Roehrs, Juliano A.; Pistoia, Renan P.; Back, Davi F.; Zeni, Gilson","Diorganyl Dichalcogenides-Promoted Nucleophilic Closure of 1,4-Diyn-3-ols: Synthesis of 2-Benzoyl Chalcogenophenes.","The Journal of organic chemistry","2015","80","24","12470","12481","10.1021/acs.joc.5b02334","","","0.71073","MoKα","","0.0509","0.0401","","","0.104","0.1185","","","","","","1.218","","","","has coordinates","234794","2020-10-21","18:00:00",""
"4036511","9.554","0.004","25.347","0.01","12.978","0.005","90","","102.53","0.007","90","","3068","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N O5 P -","- C28 H30 N O5 P -","- C112 H120 N4 O20 P4 -","4","1","","Vélez Del Burgo, Ander; Ochoa de Retana, Ana M.; de Los Santos, Jesús M; Palacios, Francisco","Reaction of 2H-Azirine-Phosphine Oxides and -Phosphonates with Enolates Derived from β-Keto Esters.","The Journal of organic chemistry","2016","81","1","100","108","10.1021/acs.joc.5b02347","","","0.71073","MoKα","","0.1332","0.0939","","","0.2851","0.3047","","","","","","1.014","","","","has coordinates","234796","2020-10-21","18:00:00",""
"4036512","8.587","0.003","10.068","0.004","13.25","0.005","102.196","0.005","101.982","0.005","99.839","0.007","1067.3","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N O3 P -","- C23 H24 N O3 P -","- C46 H48 N2 O6 P2 -","2","1","","Vélez Del Burgo, Ander; Ochoa de Retana, Ana M.; de Los Santos, Jesús M; Palacios, Francisco","Reaction of 2H-Azirine-Phosphine Oxides and -Phosphonates with Enolates Derived from β-Keto Esters.","The Journal of organic chemistry","2016","81","1","100","108","10.1021/acs.joc.5b02347","","","0.71073","MoKα","","0.1557","0.1185","","","0.3372","0.3576","","","","","","1.171","","","","has coordinates","234798","2020-10-21","18:00:00",""
"4036513","5.1208","0.0004","7.8498","0.0008","11.9863","0.0012","99.256","0.004","91.114","0.007","100.217","0.007","467.43","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","(Z)-2-(chloromethyl)-3-(2-hydroxyphenyl)-2-propenoic acid","","- C10 H9 Cl O3 -","- C10 H9 Cl O3 -","- C20 H18 Cl2 O6 -","2","1","","Olomola, Temitope O.; Klein, Rosalyn; Caira, Mino R.; Kaye, Perry T.","Elucidating Latent Mechanistic Complexity in Competing Acid-Catalyzed Reactions of Salicylaldehyde-Derived Baylis-Hillman Adducts.","The Journal of organic chemistry","2016","81","1","109","120","10.1021/acs.joc.5b02372","","","0.71073","MoKα","","0.1025","0.0765","","","0.2063","0.2285","","","","","","1.044","","","","has coordinates","234799","2020-10-21","18:00:00",""
"4036514","32.979","0.013","5.836","0.002","23.108","0.009","90","","105.586","0.003","90","","4284","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O -","- C26 H18 F3 N O -","- C208 H144 F24 N8 O8 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Tung, Chen-Ho; Xu, Zhenghu","Synthesis of Oxazoles by Tandem Cycloisomerization/Allylic Alkylation of Propargyl Amides with Allylic Alcohols: Zn(OTf)2 as π Acid and σ Acid Catalyst.","The Journal of organic chemistry","2015","80","24","12718","12724","10.1021/acs.joc.5b02382","","","0.71073","MoKα","","0.1204","0.0636","","","0.156","0.1938","","","","","","1.022","","","","has coordinates","234801","2020-10-21","18:00:00",""
"4036515","6.4683","0.0009","13.4256","0.0019","11.0713","0.0016","90","","101.845","0.002","90","","941","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N O -","- C23 H20 Br N O -","- C46 H40 Br2 N2 O2 -","2","1","","Hirata, Tomoaki; Takahashi, Isao; Suzuki, Yuya; Yoshida, Hiroaki; Hasegawa, Hiroshi; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Phenanthridin-6-one Derivatives.","The Journal of organic chemistry","2016","81","1","318","323","10.1021/acs.joc.5b02387","","","0.71073","MoKα","","0.0178","0.0171","","","0.0414","0.0417","","","","","","1.043","","","","has coordinates","234802","2020-10-21","18:00:00",""
"4036516","13.9681","0.0002","10.30952","0.00019","17.1108","0.0003","90","","92.2033","0.0016","90","","2462.21","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O6 Rh S -","- C24 H27.36 O6 Rh S -","- C96 H109.44 O24 Rh4 S4 -","4","1","","Zhao, Lili; Zhang, Hongyang; Wang, Yuanhua","Dirhodium(II)-Catalyzed Sulfide Oxygenations: Catalyst Removal by Coprecipitation with Sulfoxides.","The Journal of organic chemistry","2016","81","1","129","136","10.1021/acs.joc.5b02400","","x-ray","0.71073","MoKα","","0.0716","0.0426","","","0.086","0.0935","","","","","","1.112","","","","has coordinates,has disorder","234804","2020-10-21","18:00:00",""
"4036517","11.4979","0.0003","11.639","0.0002","14.4566","0.0003","113.631","0.0018","98.7999","0.0018","106.77","0.0018","1615.5","0.07","208.26","0.1","208.26","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 O8 Rh S2 -","- C32 H40 O8 Rh S2 -","- C64 H80 O16 Rh2 S4 -","2","1","","Zhao, Lili; Zhang, Hongyang; Wang, Yuanhua","Dirhodium(II)-Catalyzed Sulfide Oxygenations: Catalyst Removal by Coprecipitation with Sulfoxides.","The Journal of organic chemistry","2016","81","1","129","136","10.1021/acs.joc.5b02400","","x-ray","0.71073","MoKα","","0.0392","0.0333","","","0.0748","0.0783","","","","","","1.05","","","","has coordinates","234806","2020-10-21","18:00:00",""
"4036518","12.5293","0.0002","15.6705","0.0004","7.8287","0.0002","90","","107.814","0.002","90","","1463.39","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N3 O2 -","- C15 H10 Br N3 O2 -","- C60 H40 Br4 N12 O8 -","4","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0552","0.0341","","","0.0899","0.1108","","","","","","1.132","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036519","10.3978","0.0005","8.8539","0.0004","18.5649","0.001","90","","101.21","0.005","90","","1676.5","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N3 O4 -","- C17 H12 Cl N3 O4 -","- C68 H48 Cl4 N12 O16 -","4","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.1195","0.0949","","","0.2971","0.3233","","","","","","1.039","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036520","8.1048","0.0003","9.4611","0.0004","11.8699","0.0006","89.649","0.004","83.896","0.004","77.526","0.003","883.53","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Cl3 N3 O4 -","- C17 H10 Cl3 N3 O4 -","- C34 H20 Cl6 N6 O8 -","2","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0527","0.0407","","","0.0986","0.1054","","","","","","1.103","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036521","7.9251","0.0004","8.593","0.0005","11.6468","0.0007","69.962","0.005","74.221","0.005","85.653","0.004","716.93","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","1","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71073","MoKα","","0.0853","0.0652","","","0.1859","0.201","","","","","","1.081","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036522","9.8681","0.0003","19.3196","0.0006","11.1852","0.0004","90","","111.754","0.002","90","","1980.57","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C80 H72 Cl4 N12 O12 -","4","2","","Šenica, Luka; Stopar, Karmen; Friedrich, Miha; Grošelj, Uroš; Plavec, Janez; Počkaj, Marta; Podlipnik, Črtomir; Štefane, Bogdan; Svete, Jurij","Synthesis and Rotational Isomerism of 1-Substituted Methyl (S)-[5-(2-Nitrophenyl)-1H-pyrazole-4-carbonyl]alaninates.","The Journal of organic chemistry","2016","81","1","146","161","10.1021/acs.joc.5b02467","","","0.71072","MoKα","","0.1419","0.076","","","0.1983","0.2475","","","","","","1.128","","","","has coordinates","234808","2020-10-21","18:00:00",""
"4036523","26.828","0.003","21.29","0.002","8.1758","0.0008","90","","90","","90","","4669.8","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3 in paper","","","- C50 H58 Cl4 O6 -","- C50 H58 Cl4 O6 -","- C200 H232 Cl16 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1222","0.0884","","","0.2314","0.2601","","","","","","1.048","","","","has coordinates,has disorder","234810","2020-10-21","18:00:00",""
"4036524","25.7088","0.0014","8.779","0.0005","27.1747","0.0016","90","","108.187","0.0016","90","","5826.9","0.6","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6 in paper","","","- C66 H90 O6 -","- C66 H90 O6 -","- C264 H360 O24 -","4","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1216","0.0684","","","0.1702","0.2009","","","","","","1.034","","","","has coordinates,has disorder","234812","2020-10-21","18:00:00",""
"4036525","6.4102","0.0014","40.028","0.008","16.89","0.004","90","","90.352","0.006","90","","4333.7","1.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4 in paper","","","- C49 H56 Cl2 O6 -","- C49 H56 Cl2 O6 -","- C196 H224 Cl8 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1833","0.0953","","","0.2334","0.2832","","","","","","1.042","","","","has coordinates,has disorder","234815","2020-10-21","18:00:00",""
"4036526","8.5192","0.0007","15.3684","0.0013","20.385","0.0017","87.9604","0.0015","82.649","0.0014","81.3905","0.0015","2616.8","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5 in paper","","","- C56 H70 Cl4 O6 -","- C56 H70 Cl4 O6 -","- C112 H140 Cl8 O12 -","2","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1203","0.0644","","","0.1374","0.1649","","","","","","1.025","","","","has coordinates,has disorder","234816","2020-10-21","18:00:00",""
"4036527","16.483","0.003","17.791","0.003","12.945","0.002","90","","91.095","0.006","90","","3795.4","1.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1 in paper","","","- C39 H36 Cl6 O6 -","- C39 H36 Cl6 O6 -","- C156 H144 Cl24 O24 -","4","0.5","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.2185","0.1549","","","0.2725","0.2979","","","","","","1.221","","","","has coordinates","234818","2020-10-21","18:00:00",""
"4036528","9.1337","0.0008","14.8366","0.0014","17.3737","0.0016","109.186","0.003","97.454","0.003","98.746","0.003","2156.6","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2 in paper","","","- C45 H48 Cl6 O6 -","- C45 H48 Cl6 O6 -","- C90 H96 Cl12 O12 -","2","1","","Rüdiger, Elias C; Rominger, Frank; Steuer, Lena; Bunz, Uwe H. F.","Synthesis of Substituted Trinaphthylenes.","The Journal of organic chemistry","2016","81","1","193","196","10.1021/acs.joc.5b02481","","","0.71073","MoKα","","0.1117","0.0697","","","0.1417","0.1715","","","","","","1.074","","","","has coordinates,has disorder","234819","2020-10-21","18:00:00",""
"4036529","17.8748","0.0009","7.8647","0.0004","10.3954","0.0005","90","","105.882","0.0006","90","","1405.6","0.12","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br F3 O6 S -","- C11 H10 Br F3 O6 S -","- C44 H40 Br4 F12 O24 S4 -","4","1","","Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.","A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.","The Journal of organic chemistry","2016","81","5","1819","1838","10.1021/acs.joc.5b02550","","","0.71073","MoKα","","0.0232","0.0208","","","0.0549","0.0561","","","","","","1.051","","","","has coordinates","234821","2020-10-21","18:00:00",""
"4036530","20.31","0.006","7.868","0.002","6.8379","0.0019","90","","90","","90","","1092.7","0.5","143","2","143","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.","A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.","The Journal of organic chemistry","2016","81","5","1819","1838","10.1021/acs.joc.5b02550","","","0.71073","MoKα","","0.0621","0.0449","","","0.1008","0.1117","","","","","","1.151","","","","has coordinates","234822","2020-10-21","18:00:00",""
"4036531","9.604","0.003","8.74","0.002","13.695","0.003","90","","96.535","0.004","90","","1142.1","0.5","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.2426","0.0748","","","0.1672","0.2132","","","","","","0.782","","","","has coordinates,has disorder","234824","2020-10-21","18:00:00",""
"4036532","25.004","0.014","9.417","0.005","5.912","0.003","90","","90","","90","","1392.1","1.3","421","2","421","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.047","0.0354","","","0.0782","0.0841","","","","","","1.035","","","","has coordinates","234827","2020-10-21","18:00:00",""
"4036533","13.173","0.002","5.8386","0.0009","15.894","0.002","90","","105.009","0.002","90","","1180.7","0.3","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","2","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0706","0.0591","","","0.154","0.1645","","","","","","1.187","","","","has coordinates,has disorder","234829","2020-10-21","18:00:00",""
"4036534","5.7493","0.0003","13.9077","0.0008","14.6539","0.0009","90","","90","","90","","1171.72","0.12","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0493","0.0436","","","0.108","0.1114","","","","","","1.073","","","","has coordinates,has disorder","234831","2020-10-21","18:00:00",""
"4036535","9.2304","0.0013","5.3143","0.0018","14.9947","0.0011","90","","104.81","","90","","711.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-fluorobenzo[g]chrysene","","- C22 H13 F -","- C22 H13 F -","- C44 H26 F2 -","2","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0547","0.0343","","","0.069","0.0745","","","","","","0.858","","","","has coordinates","234833","2020-10-21","18:00:00",""
"4036536","12.0445","0.0017","7.3901","0.001","31.14","0.004","90","","90","","90","","2771.8","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H13 F -","- C22 H13 F -","- C176 H104 F8 -","8","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.1105","0.0494","","","0.1201","0.1498","","","","","","1.025","","","","has coordinates","234835","2020-10-21","18:00:00",""
"4036537","22.64","0.04","6.163","0.012","8.231","0.015","90","","97.56","0.03","90","","1138","4","125","2","125","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","0.5","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0886","0.0544","","","0.1584","0.209","","","","","","1.039","","","","has coordinates","234837","2020-10-21","18:00:00",""
"4036538","7.7964","0.0007","11.2871","0.001","12.1556","0.001","85.121","0.003","86.964","0.002","82.875","0.002","1056.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C46 H48 Br2 N2 O8 -","2","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0361","0.0307","","","0.0775","0.0802","","","","","","1.043","","","","has coordinates","234839","2020-10-21","18:00:00",""
"4036539","10.8261","0.0008","13.3487","0.001","13.767","0.0012","90","","109.233","0.002","90","","1878.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0708","0.04","","","0.091","0.1003","","","","","","1.039","","","","has coordinates","234840","2020-10-21","18:00:00",""
"4036540","19.972","0.0015","16.8768","0.0014","14.6858","0.0011","90","","102.828","0.003","90","","4826.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 F6 N O4 -","- C25 H23 F6 N O4 -","- C200 H184 F48 N8 O32 -","8","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0797","0.0458","","","0.1053","0.1209","","","","","","1.017","","","","has coordinates,has disorder","234842","2020-10-21","18:00:00",""
"4036541","7.886","0.002","16.68","0.005","9.935","0.003","90","","102.028","0.007","90","","1278.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C48 H60 N12 O16 -","4","1","","Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M.","Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst.","The Journal of organic chemistry","2016","81","5","1839","1849","10.1021/acs.joc.5b02607","","","0.71073","MoKα","","0.0792","0.0655","","","0.1778","0.1864","","","","","","1.166","","","","has coordinates,has disorder","234844","2020-10-21","18:00:00",""
"4036542","13.1005","0.0006","15.4782","0.0008","11.8098","0.0006","90","","96.704","0.0014","90","","2378.3","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F7 N4 O6 -","- C21 H16 Cl F7 N4 O6 -","- C84 H64 Cl4 F28 N16 O24 -","4","1","","Luo, Qiang; Liu, Chunmei; Tong, Jingjing; Shao, Ying; Shan, Wenyu; Wang, Hanghang; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Cu-Catalyzed Multicomponent Reaction of Styrenes, Perfluoroalkyl Halide, Alcohol, and tert-Butyl Hydroperoxide: One-Pot Synthesis of (Z)-β-Alkoxyperfluoroalkenone.","The Journal of organic chemistry","2016","81","8","3103","3111","10.1021/acs.joc.5b02664","","","0.71073","MoKα","","0.0659","0.0394","","","0.084","0.0942","","","","","","1.016","","","","has coordinates","234846","2020-10-21","18:00:00",""
"4036543","12.8293","0.0007","7.2371","0.0004","20.234","0.0011","90","","94.7353","0.0013","90","","1872.25","0.18","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Singh, Latika; Pressly, Brandon; Mengeling, Brenda J.; Fettinger, James C.; Furlow, J. David; Lein, Pamela J.; Wulff, Heike; Singh, Vikrant","Chasing the Elusive Benzofuran Impurity of the THR Antagonist NH-3: Synthesis, Isotope Labeling, and Biological Activity.","The Journal of organic chemistry","2016","81","5","1870","1876","10.1021/acs.joc.5b02665","","","1.54178","CuKα","","0.0375","0.0367","","","0.0961","0.0967","","","","","","1.063","","","","has coordinates","234848","2020-10-21","18:00:00",""
"4036544","40.9253","0.0008","5.5276","0.0001","24.9684","0.0005","90","","91.4288","0.0008","90","","5646.56","0.19","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Cl3 N O6 -","- C29 H28 Cl3 N O6 -","- C232 H224 Cl24 N8 O48 -","8","1","","Singh, Latika; Pressly, Brandon; Mengeling, Brenda J.; Fettinger, James C.; Furlow, J. David; Lein, Pamela J.; Wulff, Heike; Singh, Vikrant","Chasing the Elusive Benzofuran Impurity of the THR Antagonist NH-3: Synthesis, Isotope Labeling, and Biological Activity.","The Journal of organic chemistry","2016","81","5","1870","1876","10.1021/acs.joc.5b02665","","","1.54178","CuKα","","0.0445","0.0396","","","0.1047","0.1087","","","","","","1.045","","","","has coordinates,has disorder","234850","2020-10-21","18:00:00",""
"4036545","9.61329","0.00018","9.54113","0.00015","16.1853","0.0003","90","","96.3113","0.0018","90","","1475.55","0.05","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 N4 O6 S2 -","- C24 H40 N4 O6 S2 -","- C48 H80 N8 O12 S4 -","2","1","","Martí-Centelles, Vicente; Burguete, M. Isabel; Luis, Santiago V.","Macrocycle Synthesis by Chloride-Templated Amide Bond Formation.","The Journal of organic chemistry","2016","81","5","2143","2147","10.1021/acs.joc.5b02676","","x-ray","1.54184","CuKα","","0.0448","0.0438","","","0.1215","0.1231","","","","","","1.052","","","","has coordinates,has disorder","234852","2020-10-21","18:00:00",""
"4036546","12.5875","0.0004","11.6251","0.0003","15.0354","0.0004","90","","109.377","0.006","90","","2075.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C88 H80 Br4 N12 O16 -","4","1","","Stucchi, Mattia; Lesma, Giordano; Meneghetti, Fiorella; Rainoldi, Giulia; Sacchetti, Alessandro; Silvani, Alessandra","Organocatalytic Asymmetric Biginelli-like Reaction Involving Isatin.","The Journal of organic chemistry","2016","81","5","1877","1884","10.1021/acs.joc.5b02680","","x-ray","0.71073","MoKα","","0.0714","0.0443","","","0.12","0.1363","","","","","","1.047","","","","has coordinates","234853","2020-10-21","18:00:00",""
"4036547","9.7985","0.0003","10.1396","0.0004","19.4403","0.0007","89.593","0.001","83.894","0.001","68.851","0.001","1790.12","0.11","150","2","150","2","","","","","","","synthesized by the authors","6","P 1","P 1","1","","","","- C38 H36 F6 N3 O6.5 S2 -","- C38 H36 F6 N3 O6.5 S2 -","- C76 H72 F12 N6 O13 S4 -","2","2","","Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Helquat Dyes: Helicene-like Push-Pull Systems with Large Second-Order Nonlinear Optical Responses.","The Journal of organic chemistry","2016","81","5","1912","1920","10.1021/acs.joc.5b02692","","","0.71073","MoKα","","0.0813","0.0712","","","0.1899","0.2011","","","","","","1.013","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4036548","8.385","0.0012","23.46","0.003","15.353","0.002","90","","96.621","0.007","90","","3000","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 F12 N3 P2 -","- C30 H29 F12 N3 P2 -","- C120 H116 F48 N12 P8 -","4","1","","Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Helquat Dyes: Helicene-like Push-Pull Systems with Large Second-Order Nonlinear Optical Responses.","The Journal of organic chemistry","2016","81","5","1912","1920","10.1021/acs.joc.5b02692","","","0.71073","MoKα","","0.0634","0.0528","","","0.1483","0.1578","","","","","","1.042","","","","has coordinates","234857","2020-10-21","18:00:00",""
"4036549","5.8866","0.0002","8.325","0.0002","38.2408","0.001","90","","90","","90","","1874.03","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0272","0.0267","","","0.0723","0.0727","","","","","","1.046","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036550","5.8864","0.0002","8.3268","0.0003","38.2524","0.0012","90","","90","","90","","1874.94","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0262","0.026","","","0.0678","0.0679","","","","","","1.087","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036551","9.8803","0.0007","10.8574","0.0007","12.6802","0.0009","82.68","0.003","70.815","0.003","83.638","0.003","1270.79","0.15","122","2","122","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H19 B N6 O -","- C33 H19 B N6 O -","- C66 H38 B2 N12 O2 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0631","0.0437","","","0.0971","0.106","","","","","","1.041","","","","has coordinates","234862","2020-10-21","18:00:00",""
"4036552","8.0159","0.0011","12.6153","0.0013","17.649","0.002","91.609","0.004","94.08","0.005","104.775","0.004","1719.4","0.4","122","2","122","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 B Fe N6 Si -","- C41 H29 B Fe N6 Si -","- C82 H58 B2 Fe2 N12 Si2 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0765","0.0497","","","0.1087","0.1192","","","","","","1.039","","","","has coordinates","234863","2020-10-21","18:00:00",""
"4036553","11.5499","0.0018","13.613","0.002","13.749","0.002","72.403","0.006","68.708","0.006","83.03","0.006","1919.8","0.5","122","2","122","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H38 B N7 -","- C50 H38 B N7 -","- C100 H76 B2 N14 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0839","0.0556","","","0.1303","0.1444","","","","","","1.016","","","","has coordinates","234865","2020-10-21","18:00:00",""
"4036554","10.052","0.003","11.868","0.004","12.406","0.004","103.051","0.011","105.779","0.011","107.469","0.011","1280.1","0.7","122","2","122","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H21 B Fe N6 -","- C34 H21 B Fe N6 -","- C68 H42 B2 Fe2 N12 -","2","1","","Gotfredsen, Henrik; Jevric, Martyn; Broman, Søren L; Petersen, Anne U.; Nielsen, Mogens Brøndsted","Aluminum Chloride Mediated Alkynylation of Boron Subphthalocyanine Chloride Using Trimethylsilyl-Capped Acetylenes.","The Journal of organic chemistry","2016","81","1","1","5","10.1021/acs.joc.5b02719","","x-ray","0.71073","MoKα","","0.0584","0.0412","","","0.1072","0.1181","","","","","","1.0567","","","","has coordinates","234867","2020-10-21","18:00:00",""
"4036555","12.4475","0.0011","10.8201","0.0009","17.2007","0.0012","90","","97.504","0.009","90","","2296.8","0.3","294.13","0.1","294.13","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 O3 -","- C25 H32 O3 -","- C100 H128 O12 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.1248","0.072","","","0.1749","0.224","","","","","","1.036","","","","has coordinates","234868","2020-10-21","18:00:00",""
"4036556","10.4772","0.0012","37.395","0.005","6.0408","0.0007","90","","97.275","0.01","90","","2347.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.165","0.0923","","","0.1996","0.2528","","","","","","1.052","","","","has coordinates","234870","2020-10-21","18:00:00",""
"4036557","10.239","0.0004","19.3276","0.0007","12.6233","0.0006","90","","99.987","0.004","90","","2460.24","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 O4 -","- C26 H36 O4 -","- C104 H144 O16 -","4","1","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","0.7107","MoKα","","0.111","0.0654","","","0.1695","0.2047","","","","","","1.054","","","","has coordinates","234871","2020-10-21","18:00:00",""
"4036558","9.0267","0.0009","11.728","0.0013","17.0697","0.0019","94.502","0.009","93.203","0.008","109.533","0.01","1691.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","2","","Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An","Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones.","The Journal of organic chemistry","2016","81","6","2598","2606","10.1021/acs.joc.5b02725","","","1.54184","CuKα","","0.0776","0.0659","","","0.1862","0.2018","","","","","","1.095","","","","has coordinates","234872","2020-10-21","18:00:00",""
"4036559","7.2483","0.0002","7.3559","0.0002","13.6601","0.0003","90","","92.012","0.002","90","","727.88","0.03","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Choe, Hyeonjeong; Pham, Thuy Trang; Lee, Joo Yun; Latif, Muhammad; Park, Haeil; Kang, Young Kee; Lee, Jongkook","Remote Stereoinductive Intramolecular Nitrile Oxide Cycloaddition: Asymmetric Total Synthesis and Structure Revision of (-)-11β-Hydroxycurvularin.","The Journal of organic chemistry","2016","81","6","2612","2617","10.1021/acs.joc.5b02760","","","0.71073","MoKα","","0.0382","0.0341","","","0.0723","0.0746","","","","","","1.039","","","","has coordinates","234874","2020-10-21","18:00:00",""
"4036560","7.5558","0.001","13.3993","0.0017","14.2195","0.0018","83.276","0.003","80.259","0.003","78.211","0.003","1383.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","54 in manuscript","","","- C28 H38 O5 Si -","- C28 H38 O5 Si -","- C56 H76 O10 Si2 -","2","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.075","0.0551","","","0.1162","0.1277","","","","","","1.138","","","","has coordinates,has disorder","234876","2020-10-21","18:00:00",""
"4036561","11.406","0.003","13.239","0.003","23.993","0.007","90","","90","","90","","3623","1.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","57 in manuscript","","","- C32 H59 N O4 Si2 -","- C32 H59 N O4 Si2 -","- C128 H236 N4 O16 Si8 -","4","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0796","0.0528","","","0.1101","0.1188","","","","","","0.886","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036562","11.4204","0.0008","17.2635","0.0013","33.066","0.003","90","","90","","90","","6519.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","41 in manuscript","","","- C29 H52 N O4 Si -","- C29 H52 N O4 Si -","- C232 H416 N8 O32 Si8 -","8","2","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0583","0.044","","","0.1004","0.1078","","","","","","1.047","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036563","14.6819","0.0006","27.0915","0.0011","15.1614","0.0007","90","","91.392","0.001","90","","6028.7","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","72 in manuscript","","","- C26 H44 O4 Si2 -","- C26 H44 O4 Si2 -","- C208 H352 O32 Si16 -","8","4","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0874","0.0584","","","0.1432","0.1606","","","","","","1.011","","","","has coordinates,has disorder","234876","2020-10-21","18:00:00",""
"4036564","15.6","0.004","15.6","0.004","22.648","0.007","90","","90","","90","","5512","3","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","67 in manuscript","","","- C26 H42 N O4 -","- C26 H42 N O4 -","- C208 H336 N8 O32 -","8","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0761","0.058","","","0.1505","0.1625","","","","","","1.05","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036565","8.4568","0.0006","8.586","0.0004","13.1824","0.0007","99.649","0.004","94.116","0.005","94.563","0.005","937.11","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Br F3 O4 S -","- C19 H14 Br F3 O4 S -","- C38 H28 Br2 F6 O8 S2 -","2","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0474","0.0402","","","0.1018","0.11","","","","","","1.05","","","","has coordinates","234879","2020-10-21","18:00:00",""
"4036566","17.2307","0.0004","5.43162","0.00016","14.8169","0.0004","90","","98.184","0.002","90","","1372.6","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0453","0.0376","","","0.12","0.1304","","","","","","1.024","","","","has coordinates","234880","2020-10-21","18:00:00",""
"4036567","14.3087","0.001","7.3431","0.0004","14.219","0.0009","90","","116.132","0.008","90","","1341.28","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C68 H52 Cl4 O8 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.0451","0.0368","","","0.0935","0.1017","","","","","","1.071","","","","has coordinates","234882","2020-10-21","18:00:00",""
"4036568","20.6536","0.0018","8.4595","0.0006","10.5343","0.0009","90","","102.696","0.008","90","","1795.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl F3 O4 S -","- C18 H12 Cl F3 O4 S -","- C72 H48 Cl4 F12 O16 S4 -","4","1","","Saulnier, Steve; Golovanov, Alexander A.; Ivanov, Alexandr Yu; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Transformations of Conjugated Enynones in the Superacid CF3SO3H. Synthesis of Butadienyl Triflates, Indanones, and Indenes.","The Journal of organic chemistry","2016","81","5","1967","1980","10.1021/acs.joc.5b02785","","","1.54184","CuKα","","0.1054","0.0934","","","0.1937","0.2041","","","","","","1.068","","","","has coordinates","234884","2020-10-21","18:00:00",""
"4036569","8.3281","0.0002","15.4335","0.0002","10.2295","0.0002","90","","111.229","0.003","90","","1225.59","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H36 N O6 P -","- C21 H36 N O6 P -","- C42 H72 N2 O12 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.084","0.0856","","","","","","1.032","","","","has coordinates","234886","2020-10-21","18:00:00",""
"4036570","15.9524","0.0003","8.81848","0.00011","17.6457","0.0002","90","","104.134","0.0015","90","","2407.18","0.06","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N O6 P -","- C21 H36 N O6 P -","- C84 H144 N4 O24 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","1.54184","CuKα","","0.046","0.0409","","","0.1147","0.1208","","","","","","1.059","","","","has coordinates,has disorder","234888","2020-10-21","18:00:00",""
"4036571","9.0756","0.0003","16.0249","0.0008","16.9442","0.0008","90","0.01","100.193","0.002","90","0.01","2425.4","0.19","298","","","","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N O5 P -","- C16.8 H30.4 N0.8 O4 P0.8 -","- C84 H152 N4 O20 P4 -","5","1.25","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","","0.71073","xray","","","0.062","","","0.095","","","","","1.996","1.996","","","","","has coordinates","234889","2020-10-21","18:00:00",""
"4036572","14.2019","0.001","12.1086","0.0007","14.2955","0.0008","90","","102.371","0.006","90","","2401.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C84 H152 N4 O20 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.","The Journal of organic chemistry","2016","81","5","1981","1988","10.1021/acs.joc.5b02790","","x-ray","0.71073","MoKα","","0.1148","0.0712","","","0.1768","0.2049","","","","","","1.043","","","","has coordinates","234890","2020-10-21","18:00:00",""
"4036573","17.7101","0.0009","6.3887","0.0005","37.13","0.003","90","","95.118","0.007","90","","4184.3","0.5","273.77","0.1","273.77","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Br2 O2 -","- C26 H22 Br2 O2 -","- C208 H176 Br16 O16 -","8","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","x-ray","0.71073","MoKα","","0.1268","0.0704","","","0.1299","0.1549","","","","","","1.037","","","","has coordinates","234892","2020-10-21","18:00:00",""
"4036574","10.5292","0.0008","11.7378","0.001","25.986","0.002","81.345","0.007","85.62","0.006","68.07","0.007","2944.6","0.4","294.81","0.1","294.81","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10.15 H7.69 Cl1.54 N0.62 -","- C10.1538 H7.69231 Cl1.53846 N0.615385 -","- C132 H100 Cl20 N8 -","13","6.5","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.71073","MoKα","","0.1506","0.0926","","","0.2409","0.2943","","","","","","1.066","","","","has coordinates","234893","2020-10-21","18:00:00",""
"4036575","20.9274","0.001","15.0038","0.0006","6.3388","0.0004","90","","90","","90","","1990.32","0.18","291.73","0.1","291.73","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C27 H26 O -","- C27 H26 O -","- C108 H104 O4 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","x-ray","0.71073","MoKα","","0.1198","0.0816","","","0.2159","0.2766","","","","","","1.051","","","","has coordinates","234894","2020-10-21","18:00:00",""
"4036576","9.8861","0.0005","23.7464","0.0014","10.5247","0.0015","90","","96.553","0.007","90","","2454.6","0.4","295.6","0.2","295.6","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C120 H128 O16 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.145","0.0769","","","0.1774","0.2243","","","","","","1.029","","","","has coordinates","234896","2020-10-21","18:00:00",""
"4036577","10.2489","0.0005","17.7216","0.001","13.0766","0.0006","90","","90.552","0.005","90","","2375","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F2 N2 -","- C32 H24 F2 N2 -","- C128 H96 F8 N8 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","1.54184","CuKα","","0.0601","0.0498","","","0.1276","0.14","","","","","","1.045","","","","has coordinates","234897","2020-10-21","18:00:00",""
"4036578","17.9484","0.0005","8.6969","0.0002","16.5941","0.0005","90","","109.72","0.003","90","","2438.35","0.12","298.5","1","298.5","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C120 H112 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","1.5418","CuKα","","0.0687","0.0618","","","0.1839","0.193","","","","","","1.074","","","","has coordinates","234899","2020-10-21","18:00:00",""
"4036579","9.6832","0.0006","15.9129","0.0008","15.0454","0.0009","90","","91.068","0.005","90","","2317.9","0.2","295","1","295","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O3 -","- C29 H28 O3 -","- C116 H112 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.0865","0.0598","","","0.1563","0.1739","","","","","","1.06","","","","has coordinates,has disorder","234900","2020-10-21","18:00:00",""
"4036580","10.8938","0.0019","33.139","0.005","11.704","0.002","90","","103.521","0.017","90","","4108.2","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 O3 -","- C55 H42 O3 -","- C220 H168 O12 -","4","1","","Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun","o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions.","The Journal of organic chemistry","2016","81","6","2308","2319","10.1021/acs.joc.5b02806","","","0.7107","MoKα","","0.149","0.0792","","","0.1812","0.2195","","","","","","1.055","","","","has coordinates","234902","2020-10-21","18:00:00",""
"4036581","9.9179","0.0004","24.4164","0.0006","9.9702","0.0004","90","","118.045","0.005","90","","2130.88","0.17","288.42","0.1","288.42","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O4 -","- C24 H19 N3 O4 -","- C96 H76 N12 O16 -","4","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","0.71073","MoKα","","0.0696","0.0482","","","0.1029","0.1138","","","","","","1.024","","","","has coordinates","234904","2020-10-21","18:00:00",""
"4036582","10.5769","0.0004","10.9393","0.0004","11.0491","0.0004","73.609","0.003","78.749","0.003","65.477","0.004","1111.37","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","1.54184","CuKα","","0.0586","0.0562","","","0.1439","0.1471","","","","","","1.048","","","","has coordinates","234905","2020-10-21","18:00:00",""
"4036583","8.2709","0.0003","11.1075","0.0004","18.799","0.0007","90","","94.903","0.003","90","","1720.73","0.11","293.5","0.18","293.5","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C76 H64 N8 O20 -","4","1","","Li, Kaizhi; You, Jingsong","Cascade Oxidative Coupling/Cyclization: A Gateway to 3-Amino Polysubstituted Five-Membered Heterocycles.","The Journal of organic chemistry","2016","81","6","2327","2339","10.1021/acs.joc.5b02838","","x-ray","1.54184","CuKα","","0.0536","0.051","","","0.136","0.1396","","","","","","1.067","","","","has coordinates","234907","2020-10-21","18:00:00",""
"4036584","10.9656","0.0014","17.723","0.003","23.255","0.003","90","","90","","90","","4519.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C184 H192 N16 O40 S8 -","8","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.0875","0.0445","","","0.1063","0.1301","","","","","","1.002","","","","has coordinates","234908","2020-10-21","18:00:00",""
"4036585","7.0029","0.0011","17.986","0.003","17.875","0.003","90","","93.089","0.011","90","","2248.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O6 S -","- C24 H23 N O6 S -","- C96 H92 N4 O24 S4 -","4","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.1148","0.0531","","","0.1404","0.1701","","","","","","1.007","","","","has coordinates","234911","2020-10-21","18:00:00",""
"4036586","8.6828","0.0005","6.4475","0.0003","11.5604","0.0007","90","","96.958","0.005","90","","642.41","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F3 N2 O2 -","- C13 H9 F3 N2 O2 -","- C26 H18 F6 N4 O4 -","2","1","","Lou, Hengqiao; Wang, Yongtao; Jin, Enze; Lin, Xufeng","Organocatalytic Asymmetric Synthesis of Dihydrobenzoxazinones Bearing Trifluoromethylated Quaternary Stereocenters.","The Journal of organic chemistry","2016","81","5","2019","2026","10.1021/acs.joc.5b02848","","","1.54184","CuKα","","0.0559","0.049","","","0.1217","0.1336","","","","","","1.092","","","","has coordinates","234912","2020-10-21","18:00:00",""
"4036587","6.4322","0.0004","9.2132","0.0005","11.2253","0.0006","90","","96.4282","0.0018","90","","661.04","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C26 H42 N2 O6 -","2","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0318","0.0317","","","0.0855","0.0856","","","","","","1.073","","","","has coordinates","234914","2020-10-21","18:00:00",""
"4036588","6.5732","0.0001","10.1967","0.0002","27.5648","0.0005","90","","90","","90","","1847.53","0.06","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0348","0.0324","","","0.0888","0.0905","","","","","","1.067","","","","has coordinates","234915","2020-10-21","18:00:00",""
"4036589","17.318","0.005","17.318","0.005","34.804","0.011","90","","90","","120","","9040","5","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C111 H171 B12 Cl9 N12 -","- C111 H170 B12 Cl9 N12 -","- C333.001 H510 B36 Cl27 N36 -","3","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.1443","0.076","","","0.2098","0.2423","","","","","","0.923","","","","has coordinates","234917","2020-10-21","18:00:00",""
"4036590","17.377","0.0006","17.377","0.0006","17.411","0.0006","90","","90","","120","","4553.1","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","- C174 H252 B18 N18 O3 -","1","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.0636","0.0567","","","0.1772","0.1848","","","","","","1.069","","","","has coordinates","234918","2020-10-21","18:00:00",""
"4036591","10.85","0.002","11.342","0.002","24.34","0.004","93.698","0.003","95.893","0.003","111.738","0.004","2750.5","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H82 B5 N5 -","- C57 H82 B5 N5 -","- C114 H164 B10 N10 -","2","1","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.0773","0.0575","","","0.1647","0.1797","","","","","","1.057","","","","has coordinates","234920","2020-10-21","18:00:00",""
"4036592","9.356","0.002","11.498","0.003","14.192","0.003","99.422","0.003","93.603","0.004","108.495","0.005","1417.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B6 N6 O -","- C58 H84 B6 N6 O -","- C58 H84 B6 N6 O -","1","0.5","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.1106","0.085","","","0.2654","0.2857","","","","","","1.053","","","","has coordinates","234921","2020-10-21","18:00:00",""
"4036593","19.8195","0.0007","22.8286","0.0008","7.8633","0.0003","90","","90","","90","","3557.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","- C139 H188 N8 O43 -","1","0.25","","Smith, Aaron C.; Cabral, Shawn; Kung, Daniel W.; Rose, Colin R.; Southers, James A.; García-Irizarry, Carmen N; Damon, David B.; Bagley, Scott W.; Griffith, David A.","The Synthesis of Methyl-Substituted Spirocyclic Piperidine-Azetidine (2,7-Diazaspiro[3.5]nonane) and Spirocyclic Piperidine-Pyrrolidine (2,8-Diazaspiro[4.5]decane) Ring Systems.","The Journal of organic chemistry","2016","81","9","3509","3519","10.1021/acs.joc.5b02890","","","1.54178","CuKα","","0.053","0.0475","","","0.1245","0.1292","","","","","","1.04","","","","has coordinates,has disorder","234923","2020-10-21","18:00:00",""
"4036594","11.2708","0.0003","10.4765","0.0003","13.4089","0.0003","90","","99.4274","0.0014","90","","1561.92","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0566","","","","0.1917","","","","","","1.895","","","","has coordinates","234925","2020-10-21","18:00:00",""
"4036595","9.43615","0.00017","9.54443","0.00017","17.4522","0.0004","84.4167","0.0008","89.6078","0.0009","78.8942","0.0009","1534.93","0.05","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","2","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0518","","","","0.0772","","","","","","1.146","","","","has coordinates","234927","2020-10-21","18:00:00",""
"4036596","9.25139","0.00017","9.3547","0.00017","10.33663","0.00019","78.3301","0.001","82.1889","0.001","75.906","0.001","846.17","0.03","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0509","","","","0.1657","","","","","","1.683","","","","has coordinates","234929","2020-10-21","18:00:00",""
"4036597","7.7089","0.0003","11.7832","0.0004","17.474","0.0006","90","","100.653","0.0019","90","","1559.9","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Tabata, Hidetsugu; Yoneda, Tetsuya; Tasaka, Tomohiko; Ito, Shigekazu; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure.","The Journal of organic chemistry","2016","81","8","3136","3148","10.1021/acs.joc.5b02900","","","1.54187","CuKα","","","0.0325","","","","0.1006","","","","","","1.049","","","","has coordinates","234931","2020-10-21","18:00:00",""
"4036598","17.706","0.0004","14.323","0.0006","9.7","0.0008","90","","104.923","0.002","90","","2377","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O5 S -","- C25 H26 Cl N O5 S -","- C100 H104 Cl4 N4 O20 S4 -","4","1","","Kranthikumar, Ramagonolla; Chegondi, Rambabu; Chandrasekhar, Srivari","Insertion of N-Tosylacetimidates/Acetimidamides onto Arynes via [2 + 2] Cycloaddition.","The Journal of organic chemistry","2016","81","6","2451","2459","10.1021/acs.joc.5b02907","","","0.71073","MoKα","","0.07","0.0552","","","0.1368","0.1463","","","","","","1.071","","","","has coordinates","234933","2020-10-21","18:00:00",""
"4036599","10.172","0.0005","10.462","0.0005","12.878","0.0006","68.824","0.001","83.945","0.001","83.791","0.001","1267.17","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O2 S -","- C30 H26 N2 O2 S -","- C60 H52 N4 O4 S2 -","2","1","","Kranthikumar, Ramagonolla; Chegondi, Rambabu; Chandrasekhar, Srivari","Insertion of N-Tosylacetimidates/Acetimidamides onto Arynes via [2 + 2] Cycloaddition.","The Journal of organic chemistry","2016","81","6","2451","2459","10.1021/acs.joc.5b02907","","","0.71073","MoKα","","0.06","0.0506","","","0.1383","0.1461","","","","","","1.025","","","","has coordinates","234934","2020-10-21","18:00:00",""
"4036600","8.6313","0.0017","11.567","0.002","15.818","0.003","76.11","0.03","88.94","0.03","85.25","0.03","1527.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","2","","Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Wu, Wanqing","Divergent Syntheses of Isoquinolines and Indolo[1,2-a]quinazolines by Copper-Catalyzed Cascade Annulation from 2-Haloaryloxime Acetates with Active Methylene Compounds and Indoles.","The Journal of organic chemistry","2016","81","5","2053","2061","10.1021/acs.joc.5b02914","","","0.71073","MoKα","","0.1627","0.0541","","","0.1347","0.2044","","","","","","0.924","","","","has coordinates","234937","2020-10-21","18:00:00",""
"4036601","10.593","0.0003","11.1116","0.0003","17.5737","0.0005","90","","95.862","0.003","90","","2057.7","0.1","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N O5 -","- C24 H21 F N O5 -","- C96 H84 F4 N4 O20 -","4","1","","Peng, Hui; Li, Jiuyi; Wang, Furong; Liu, Bo; Yin, Biaolin","Synthesis of Spiro-lactams and Polysubstituted Pyrroles via Ceric Ammonium Nitrate-Mediated Oxidative Cyclization of N-Furan-2-ylmethyl-β-Enaminones.","The Journal of organic chemistry","2016","81","12","4939","4946","10.1021/acs.joc.5b02919","","","0.71073","MoKα","","0.0728","0.0693","","","0.1822","0.1849","","","","","","1.085","","","","has coordinates","234939","2020-10-21","18:00:00",""
"4036602","9.4196","0.0002","20.2974","0.0005","10.6385","0.0003","90","","114.597","0.001","90","","1849.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0509","0.0409","","","0.1131","0.1224","","","","","","0.988","","","","has coordinates","234941","2020-10-21","18:00:00",""
"4036603","9.5557","0.0002","10.296","0.0002","11.4909","0.0002","96.003","0.001","104.156","0.001","91.371","0.001","1088.76","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Cl N O2 S -","- C25 H19 Cl N2 O2 S -","- C50 H38 Cl2 N4 O4 S2 -","2","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0455","0.0397","","","0.1147","0.1221","","","","","","1.026","","","","has coordinates","234943","2020-10-21","18:00:00",""
"4036604","8.7107","0.0002","10.3413","0.0003","11.8345","0.0003","95.821","0.002","97.715","0.002","93.79","0.002","1047.51","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C52 H42 N2 O4 S2 -","2","1","","Bakthadoss, Manickam; Selvakumar, Raman","One-Pot Synthesis of Benzothiazole-Tethered Chromanones/Coumarins via Claisen Rearrangement Using the Solid State Melt Reaction.","The Journal of organic chemistry","2016","81","8","3391","3399","10.1021/acs.joc.5b02920","","","0.71073","MoKα","","0.0871","0.072","","","0.1978","0.2141","","","","","","1.037","","","","has coordinates","234944","2020-10-21","18:00:00",""
"4036605","8.1158","0.0003","8.6369","0.0003","9.1898","0.0004","95.53","0.003","104.286","0.003","108.675","0.003","580.48","0.04","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","- C27 H20 Br2 O3 -","1","1","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0435","0.0302","","","0.0561","0.0597","","","","","","0.861","","","","has coordinates","234946","2020-10-21","18:00:00",""
"4036606","8.444","","11.055","","13.733","","98.62","","107.12","","93","","1204.98","","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H25 Br O4 -","- C29 H25 Br O4 -","- C58 H50 Br2 O8 -","2","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0487","0.0392","","","0.0904","0.1143","","","","","","1.076","","","","has coordinates","234947","2020-10-21","18:00:00",""
"4036607","9.121","0.003","10.294","0.003","45.103","0.012","90","","90","","90","","4235","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br O3 -","- C26 H19 Br O3 -","- C208 H152 Br8 O24 -","8","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0999","0.0515","","","0.1018","0.1159","","","","","","1.055","","","","has coordinates,has disorder","234949","2020-10-21","18:00:00",""
"4036608","10.1259","0.0002","21.6147","0.0004","11.8647","0.0003","90","","112.394","0.002","90","","2400.97","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 Br O4 -","- C28 H23 Br O4 -","- C112 H92 Br4 O16 -","4","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0832","0.042","","","0.078","0.092","","","","","","0.959","","","","has coordinates","234951","2020-10-21","18:00:00",""
"4036609","16.7257","0.0017","8.6177","0.0009","12.0468","0.0012","90","","104.961","0.001","90","","1677.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C84 H60 Br4 O8 -","4","1","","He, Xinwei; Tao, Jiajia; Hu, Xiaoqian; Wang, Hui; Shang, Yongjia","FeCl3-Mediated One-Pot Domino Reactions for the Synthesis of 9-Aryl/9-Arylethynyl-2,3,4,9-tetrahydro-1H-xanthen-1-ones from Propargylic Amines/Diaryl Amines and 1,3-Cyclohexanediones.","The Journal of organic chemistry","2016","81","5","2062","2069","10.1021/acs.joc.6b00001","","","0.71073","MoKα","","0.0567","0.0363","","","0.0972","0.111","","","","","","0.95","","","","has coordinates,has disorder","234953","2020-10-21","18:00:00",""
"4036610","5.6299","0.0007","18.125","0.002","15.3048","0.0018","90","","94.98","0.001","90","","1555.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","He, Xinwei; Tao, Jiajia; Hu, Xiaoqian; Wang, Hui; Shang, Yongjia","FeCl3-Mediated One-Pot Domino Reactions for the Synthesis of 9-Aryl/9-Arylethynyl-2,3,4,9-tetrahydro-1H-xanthen-1-ones from Propargylic Amines/Diaryl Amines and 1,3-Cyclohexanediones.","The Journal of organic chemistry","2016","81","5","2062","2069","10.1021/acs.joc.6b00001","","","0.71073","MoKα","","0.0455","0.0382","","","0.1064","0.1131","","","","","","1.056","","","","has coordinates","234955","2020-10-21","18:00:00",""
"4036611","6.3333","0.0013","12.763","0.003","19.654","0.003","78.988","0.005","88.769","0.006","89.774","0.006","1559.1","0.5","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 I N O -","- C16 H22 I N O -","- C64 H88 I4 N4 O4 -","4","2","","Song, Liyan; Fang, Xinqiang; Wang, Zijia; Liu, Kun; Li, Chaozhong","Stereoselectivity of 6-Exo Cyclization of α-Carbamoyl Radicals.","The Journal of organic chemistry","2016","81","6","2442","2450","10.1021/acs.joc.6b00008","","","0.71073","MoKα","","0.0938","0.07","","","0.1847","0.2159","","","","","","1.05","","","","has coordinates","234957","2020-10-21","18:00:00",""
"4036612","11.605","0.007","20.355","0.013","12.058","0.008","90","","92.968","0.007","90","","2845","3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H29 N O S -","- C37 H29 N O S -","- C148 H116 N4 O4 S4 -","4","1","","Fukuzumi, Keita; Unoh, Yuto; Nishii, Yuji; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Synthesis of Benzo[c]thiophenes by Rhodium(III)-Catalyzed Dehydrogenative Annulation.","The Journal of organic chemistry","2016","81","6","2474","2481","10.1021/acs.joc.6b00030","","","0.71075","MoKα","","","0.0909","","","","0.1726","","","","","","1.115","","","","has coordinates","234959","2020-10-21","18:00:00",""
"4036613","5.7679","0.0019","9.859","0.003","13.531","0.004","73.54","0.03","85.59","0.03","81.51","0.03","729.3","0.4","295.35","0.1","295.35","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 F2 N O -","- C16 H19 F2 N O -","- C32 H38 F4 N2 O2 -","2","1","","Chen, Qiao; Wang, Chao; Zhou, Jiawei; Wang, Yanan; Xu, Zhaoqing; Wang, Rui","CuSO4-Mediated Decarboxylative Difluoroacetamidation of α,β-Unsaturated Carboxylic Acids.","The Journal of organic chemistry","2016","81","6","2639","2645","10.1021/acs.joc.6b00031","","x-ray","0.71073","MoKα","","0.1435","0.066","","","0.14","0.1998","","","","","","1.056","","","","has coordinates","234961","2020-10-21","18:00:00",""
"4036614","6.5903","0.0001","27.7886","0.0004","13.8017","0.0002","90","","101.747","0.0015","90","","2474.64","0.06","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0416","0.038","","0.0874","0.0852","0.0874","","","","","","1.0054","","","","has coordinates","234963","2020-10-21","18:00:00",""
"4036615","33.1997","0.0004","9.6115","0.0001","13.8952","0.0002","90","","99.7857","0.0012","90","","4369.43","0.1","150","","150","","","","","","","","local","3","C 1 2 1","C 2y","5","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C180 H312 O24 -","12","3","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0376","0.035","","0.0873","0.0853","0.0873","","","","","","0.9972","","","","has coordinates","234965","2020-10-21","18:00:00",""
"4036616","5.8991","0.0001","12.6249","0.0001","16.8455","0.0002","90","","90","","90","","1254.58","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0296","0.0288","","0.0749","0.0739","0.0749","","","","","","1.0027","","","","has coordinates","234967","2020-10-21","18:00:00",""
"4036617","7.0022","0.0001","12.5744","0.0001","14.0683","0.0002","90","","90","","90","","1238.69","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0257","0.0252","","0.0664","0.066","0.0664","","","","","","1.0003","","","","has coordinates","234968","2020-10-21","18:00:00",""
"4036618","21.353","0.003","21.353","0.003","5.8048","0.001","90","","90","","120","","2292.1","0.6","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C90 H156 O12 -","6","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.1028","0.0812","","0.1901","0.1771","0.1901","","","","","","1.0243","","","","has coordinates","234970","2020-10-21","18:00:00",""
"4036619","8.3922","0.0001","8.6217","0.0001","17.1215","0.0001","90","","90","","90","","1238.83","0.02","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0263","0.0261","","0.0683","0.0681","0.0683","","","","","","1.0094","","","","has coordinates","234972","2020-10-21","18:00:00",""
"4036620","6.2794","0.0001","13.2695","0.0001","23.5284","0.0002","90","","90","","90","","1960.49","0.04","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 S2 -","- C19 H28 O3 S2 -","- C76 H112 O12 S8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0226","0.022","","0.0582","0.0579","0.0582","","","","","","1.0079","","","","has coordinates","234974","2020-10-21","18:00:00",""
"4036621","8.5891","0.0002","16.7819","0.0002","9.8613","0.0001","90","","95.8337","0.0013","90","","1414.06","0.04","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0353","0.0325","","0.0769","0.0756","0.0769","","","","","","0.9927","","","","has coordinates","234976","2020-10-21","18:00:00",""
"4036622","12.8626","0.0011","17.9115","0.0016","20.6589","0.0019","90","","90","","90","","4759.6","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N4 O P -","- C22 H33 N4 O P -","- C176 H264 N32 O8 P8 -","8","2","","Yang, Bing; Shen, Minxing; Ji, Xiaozhou; Xu, Ziyan; Sun, Hao; Jiang, Bo; Li, Guigen","Chiral N-Phosphonyl Imines for an Aza-Morita-Baylis-Hillman Reaction via Group-Assisted Purification (GAP) Chemistry.","The Journal of organic chemistry","2016","81","6","2488","2493","10.1021/acs.joc.6b00049","","","0.71073","MoKα","","0.1377","0.0499","","","0.069","0.0767","","","","","","1.035","","","","has coordinates","234978","2020-10-21","18:00:00",""
"4036623","10.695","0.01","6.585","0.006","14.025","0.014","90","","111.141","0.01","90","","921.3","1.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 F N O4 S -","- C19 H24 F N O4 S -","- C38 H48 F2 N2 O8 S2 -","2","1","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0289","0.0278","","","0.0703","0.0715","","","","","","1.068","","","","has coordinates","234979","2020-10-21","18:00:00",""
"4036624","11.5968","0.0012","8.2171","0.0009","21.456","0.002","90","","104.481","0.002","90","","1979.6","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 S -","- C20 H27 N O5 S -","- C80 H108 N4 O20 S4 -","4","2","","Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran","Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3890","3900","10.1021/acs.joc.6b00068","","","0.71073","MoKα","","0.0433","0.0361","","","0.091","0.0961","","","","","","1.006","","","","has coordinates","234981","2020-10-21","18:00:00",""
"4036625","9.0667","0.0019","11.32","0.002","19.536","0.004","90","","100.124","0.003","90","","1973.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F5 N O4 -","- C22 H14 F5 N O4 -","- C88 H56 F20 N4 O16 -","4","1","","Wang, Huai-Wei; Cui, Pei-Pei; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan","Ligand-Promoted Rh(III)-Catalyzed Coupling of Aryl C-H Bonds with Arylboron Reagents.","The Journal of organic chemistry","2016","81","8","3416","3422","10.1021/acs.joc.6b00083","","","0.71073","MoKα","","0.0806","0.0448","","","0.1143","0.1352","","","","","","1.03","","","","has coordinates","234982","2020-10-21","18:00:00",""
"4036626","9.87","0.0004","10.0817","0.0003","10.2033","0.0005","90","","111.452","0.005","90","","944.96","0.07","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O3 S -","- C20 H18 F3 N O3 S -","- C40 H36 F6 N2 O6 S2 -","2","1","","Zhang, Sheng; Cha, Lide; Li, Lijun; Hu, Yanbin; Li, Yanan; Zha, Zhenggen; Wang, Zhiyong","Asymmetric Formal Aza-Diels-Alder Reaction of Trifluoromethyl Hemiaminals with Enones Catalyzed by Primary Amines.","The Journal of organic chemistry","2016","81","8","3177","3187","10.1021/acs.joc.6b00087","","","1.54184","CuKα","","0.0351","0.0338","","","0.0904","0.0927","","","","","","1.043","","","","has coordinates","234984","2020-10-21","18:00:00",""
"4036627","37.458","0.002","5.4399","0.0003","17.8501","0.0007","90","","106.94","0.004","90","","3479.5","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 S4 -","- C42 H50 S4 -","- C168 H200 S16 -","4","0.5","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","1.54178","CuKα","","0.1029","0.0814","","","0.2153","0.236","","","","","","1.027","","","","has coordinates","234986","2020-10-21","18:00:00",""
"4036628","12.1896","0.0005","18.8338","0.0007","19.3","0.0007","75.146","0.002","77.385","0.002","80.428","0.002","4150.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H135 S6 -","- C93 H135 S6 -","- C186 H270 S12 -","2","1","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","0.71073","MoKα","","0.0615","0.0387","","","0.1092","0.13","","","","","","1.029","","","","has coordinates","234988","2020-10-21","18:00:00",""
"4036629","5.3269","0.0006","18.171","0.002","21.724","0.002","99.222","0.003","93.005","0.003","95.081","0.003","2062.7","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 S4 -","- C42 H50 S4 -","- C84 H100 S8 -","2","1","","Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju","Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.","The Journal of organic chemistry","2016","81","6","2534","2542","10.1021/acs.joc.6b00101","","","0.71073","MoKα","","0.0717","0.0495","","","0.1288","0.1364","","","","","","1.078","","","","has coordinates","234990","2020-10-21","18:00:00",""
"4036630","8.6924","0.0005","12.8173","0.0008","15.9368","0.0012","105.053","0.006","101.173","0.006","91.003","0.005","1677.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(2E)-2-{2-[3-METHYLBUT-2-EN-1-YL)OXY]BENZYLIDENE}INDAN-1-ONE","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","2","","Parmar, Bhagyashri D.; Sutariya, Tushar R.; Brahmbhatt, Gaurangkumar C.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.","A Base-Catalyzed, Domino Aldol/hetero-Diels-Alder Synthesis of Tricyclic Pyrano[3,4-c]chromenes in Glycerol.","The Journal of organic chemistry","2016","81","12","4955","4964","10.1021/acs.joc.6b00107","","","0.71073","MoKα","","0.1246","0.056","","","0.1169","0.1507","","","","","","0.948","","","","has coordinates","234992","2020-10-21","18:00:00",""
"4036631","11.7252","0.0002","12.2681","0.0002","12.3225","0.0003","90","","97.388","0.002","90","","1757.83","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4aR, 12cS)-4,4-dimethyl-2-phenyl-4,4a,5,12c- tetrahydrobenzo[f]pyrano[3,4-c]chromene","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Parmar, Bhagyashri D.; Sutariya, Tushar R.; Brahmbhatt, Gaurangkumar C.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.","A Base-Catalyzed, Domino Aldol/hetero-Diels-Alder Synthesis of Tricyclic Pyrano[3,4-c]chromenes in Glycerol.","The Journal of organic chemistry","2016","81","12","4955","4964","10.1021/acs.joc.6b00107","","","0.71073","MoKα","","0.0545","0.0406","","","0.0902","0.1021","","","","","","1.044","","","","has coordinates","234994","2020-10-21","18:00:00",""
"4036632","11.5568","0.0002","16.7624","0.0002","12.9551","0.0002","90","","116.227","0.002","90","","2251.29","0.07","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-Chlorobut-3-enyl)-2,2-diphenyl-3-(methylcarbonyloxyethyl)-6-methyl- 1,3-oxazinen-4-one","","- C25 H26 Cl N O4 -","- C25 H26 Cl N O4 -","- C100 H104 Cl4 N4 O16 -","4","1","","Smith, Robert J.; Mills, Daniel A.; Nhu, Duong; Tan, Eng Wui; Lucas, Nigel T.; Hawkins, Bill C.","The Synthesis of Multifunctionalized 1,3-Oxazin-4-ones from Donor-Acceptor Cyclopropanes.","The Journal of organic chemistry","2016","81","5","2099","2105","10.1021/acs.joc.6b00112","","","1.54184","CuKα","","0.0489","0.0466","","","0.1031","0.1046","","","","","","1.043","","","","has coordinates,has disorder","234996","2020-10-21","18:00:00",""
"4036633","5.6221","0.0011","9.6836","0.0017","12.619","0.002","87.223","0.008","88.919","0.009","85.132","0.009","683.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O S2 -","- C15 H11 N O S2 -","- C30 H22 N2 O2 S4 -","2","1","","Dar, Ajaz A.; Shadab, M.; Khan, Suman; Ali, Nahid; Khan, Abu T.","One-Pot Synthesis and Evaluation of Antileishmanial Activities of Functionalized S-Alkyl/Aryl Benzothiazole-2-carbothioate Scaffold.","The Journal of organic chemistry","2016","81","8","3149","3160","10.1021/acs.joc.6b00113","","","0.71073","MoKα","","0.1511","0.0796","","","0.1883","0.2469","","","","","","1.148","","","","has coordinates","234998","2020-10-21","18:00:00",""
"4036634","8.125","0.0007","8.2239","0.0009","10.6956","0.0008","90.93","0.008","96.487","0.007","93.239","0.008","708.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl N O S2 -","- C15 H10 Cl N O S2 -","- C30 H20 Cl2 N2 O2 S4 -","2","1","","Dar, Ajaz A.; Shadab, M.; Khan, Suman; Ali, Nahid; Khan, Abu T.","One-Pot Synthesis and Evaluation of Antileishmanial Activities of Functionalized S-Alkyl/Aryl Benzothiazole-2-carbothioate Scaffold.","The Journal of organic chemistry","2016","81","8","3149","3160","10.1021/acs.joc.6b00113","","","0.71073","MoKα","","0.0597","0.0407","","","0.0964","0.1152","","","","","","1.077","","","","has coordinates","235000","2020-10-21","18:00:00",""
"4036635","5.24926","0.00013","14.3321","0.0003","18.3411","0.0004","90","","90.107","0.006","90","","1379.85","0.05","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 S4 -","- C18 H8 S4 -","- C72 H32 S16 -","4","1","","Yamamoto, Atsushi; Matsui, Yasunori; Asada, Toshio; Kumeda, Motoki; Takagi, Kenichiro; Suenaga, Yu; Nagae, Kunihiko; Ohta, Eisuke; Sato, Hiroyasu; Koseki, Shiro; Naito, Hiroyoshi; Ikeda, Hiroshi","Amorphous Solid Simulation and Trial Fabrication of the Organic Field-Effect Transistor of Tetrathienonaphthalenes Prepared by Using Microflow Photochemical Reactions: A Theoretical Calculation-Inspired Investigation.","The Journal of organic chemistry","2016","81","8","3168","3176","10.1021/acs.joc.6b00117","","","1.54187","CuKα","","","0.0361","","","","0.114","","","","","","1.156","","","","has coordinates","235002","2020-10-21","18:00:00",""
"4036636","10.4968","0.0003","11.6056","0.0003","12.325","0.0003","76.616","0.001","70.06","0.001","65.542","0.001","1277.61","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N3 O5 S -","- C25 H27 N3 O5 S -","- C50 H54 N6 O10 S2 -","2","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.0721","0.0488","","","0.1595","0.1842","","","","","","1.266","","","","has coordinates","235004","2020-10-21","18:00:00",""
"4036637","8.6809","0.0002","14.1972","0.0003","10.4181","0.0003","90","","100.521","0.001","90","","1262.39","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O5 S -","- C25 H29 N3 O5 S -","- C50 H58 N6 O10 S2 -","2","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.0397","0.0331","","","0.081","0.0861","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036638","10.872","0.004","12.354","0.004","17.965","0.006","90","","90","","90","","2412.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O6 S -","- C24 H23 N3 O6 S -","- C96 H92 N12 O24 S4 -","4","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.1172","0.0584","","","0.1347","0.1662","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4036639","5.4955","0.0015","8.697","0.002","24.108","0.007","90","","91.925","0.004","90","","1151.6","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Synthesis of Indeno[1',2':4,5]imidazo[1,2-a]pyridin-11-ones and Chromeno[4',3':4,5]imidazo[1,2-a]pyridin-6-ones through Palladium-Catalyzed Cascade Reactions of 2-(2-Bromophenyl)imidazo[1,2-a]pyridines.","The Journal of organic chemistry","2016","81","8","3206","3213","10.1021/acs.joc.6b00166","","","0.71073","MoKα","","0.0776","0.0434","","","0.1197","0.1459","","","","","","1.082","","","","has coordinates","235010","2020-10-21","18:00:00",""
"4036640","11.4121","0.0003","16.6843","0.0005","4.8996","0.0002","90","","90","","90","","932.9","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 O Te2 -","- C8 H7 O Te2 -","- C32 H28 O4 Te8 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54178","CuKα","","0.1006","0.0917","","","0.2452","0.2531","","","","","","1.141","","","","has coordinates","235012","2020-10-21","18:00:00",""
"4036641","14.8825","0.0013","7.0999","0.0007","8.2818","0.0008","90","","95.735","0.01","90","","870.71","0.14","295","2","295","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H8 O Se2 -","- C8 H8 O Se2 -","- C32 H32 O4 Se8 -","4","0.5","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.1268","0.0479","","","0.093","0.111","","","","","","0.862","","","","has coordinates","235013","2020-10-21","18:00:00",""
"4036642","9.2886","0.0004","14.636","0.0005","9.5487","0.0004","90","","103.428","0.004","90","","1262.64","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 Te -","- C14 H14 O2 Te -","- C56 H56 O8 Te4 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54178","CuKα","","0.0697","0.0587","","","0.1449","0.1574","","","","","","1.094","","","","has coordinates","235015","2020-10-21","18:00:00",""
"4036643","5.0396","0.0003","6.4746","0.0005","23.7857","0.0014","90","","90","","90","","776.11","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 Te -","- C8 H8 O2 Te -","- C32 H32 O8 Te4 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54184","CuKα","","0.0708","0.063","","","0.1647","0.175","","","","","","1.081","","","","has coordinates","235016","2020-10-21","18:00:00",""
"4036644","7.8765","0.0004","8.1219","0.0005","13.0249","0.0007","74.478","0.005","76.975","0.004","89.917","0.004","780.65","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O2 Se -","- C8 H8 O2 Se -","- C32 H32 O8 Se4 -","4","2","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.1105","0.0552","","","0.0874","0.104","","","","","","1.038","","","","has coordinates","235017","2020-10-21","18:00:00",""
"4036645","6.8851","0.0009","7.9251","0.0012","8.1801","0.0007","85.683","0.009","89.92","0.009","64.419","0.014","401.21","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O S2 -","- C8 H8 O S2 -","- C16 H16 O2 S4 -","2","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","0.71073","MoKα","","0.0547","0.0483","","","0.1311","0.1405","","","","","","1.05","","","","has coordinates","235019","2020-10-21","18:00:00",""
"4036646","12.593","0.011","12.991","0.007","10.908","0.008","90","","98.5","0.03","90","","1765","2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 S -","- C18 H28 O3 S -","- C72 H112 O12 S4 -","4","1","","Wang, Yinli; Oriez, Raphaël; Kuwano, Satoru; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-ichi","Oxa- and Azacycle Formation via Migrative Cyclization of Sulfonylalkynol and Sulfonylalkynamide with N-Heterocyclic Carbene.","The Journal of organic chemistry","2016","81","6","2652","2664","10.1021/acs.joc.6b00182","","","1.54187","CuKα","","0.1282","0.0817","","","0.1971","0.3104","","","","","","0.968","","","","has coordinates","235021","2020-10-21","18:00:00",""
"4036647","23.169","0.004","7.2093","0.0016","21.235","0.004","90","","92.196","0.004","90","","3544.3","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 N O4 S -","- C18 H27 N O4 S -","- C144 H216 N8 O32 S8 -","8","1","","Wang, Yinli; Oriez, Raphaël; Kuwano, Satoru; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-ichi","Oxa- and Azacycle Formation via Migrative Cyclization of Sulfonylalkynol and Sulfonylalkynamide with N-Heterocyclic Carbene.","The Journal of organic chemistry","2016","81","6","2652","2664","10.1021/acs.joc.6b00182","","","1.54187","CuKα","","0.0417","0.0369","","","0.101","0.1122","","","","","","1.116","","","","has coordinates","235023","2020-10-21","18:00:00",""
"4036648","16.715","0.004","5.5827","0.0012","17.44","0.004","90","","97.706","0.003","90","","1612.7","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 I N3 -","- C17 H16 I N3 -","- C68 H64 I4 N12 -","4","1","","Zhu, Li-Li; Xu, Xiao-Qi; Shi, Jin-Wei; Chen, Bai-Ling; Chen, Zili","N(2)-Selective Iodofunctionalization of Olefins with NH-1,2,3-Triazoles to provide N(2)-Alkyl-Substituted 1,2,3-Triazoles.","The Journal of organic chemistry","2016","81","9","3568","3575","10.1021/acs.joc.6b00185","","","0.71073","MoKα","","0.0578","0.0495","","","0.1266","0.1341","","","","","","1.003","","","","has coordinates","235025","2020-10-21","18:00:00",""
"4036649","4.1693","0.0005","8.687","0.001","10.729","0.002","95.442","0.001","90.247","0.001","95.864","0.001","384.78","0.1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H10 N2 -","- C8 H10 N2 -","- C16 H20 N4 -","2","1","","Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann","Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science.","The Journal of organic chemistry","2016","81","9","3560","3567","10.1021/acs.joc.6b00205","","","0.71073","MoKα","","0.0787","0.0529","","","0.135","0.1622","","","","","","1.065","","","","has coordinates","235027","2020-10-21","18:00:00",""
"4036650","4.3708","0.0002","13.7544","0.0005","15.5815","0.0005","90","","90","","90","","936.72","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann","Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science.","The Journal of organic chemistry","2016","81","9","3560","3567","10.1021/acs.joc.6b00205","","","0.71073","MoKα","","0.0455","0.0396","","","0.0886","0.092","","","","","","1.047","","","","has coordinates","235029","2020-10-21","18:00:00",""
"4036651","15.7178","0.0002","24.0271","0.0004","24.33","0.0004","69.559","0.001","77.422","0.001","75.919","0.001","8261.4","0.2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C198 H192 N22 O11 -","- C198 H192 N22 O11 -","- C396 H384 N44 O22 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.1206","0.1034","","","0.342","0.3662","","","","","","1.6","","","","has coordinates,has disorder","235031","2020-10-21","18:00:00",""
"4036652","15.231","0.004","15.402","0.004","18.805","0.006","92.352","0.011","110.492","0.011","118.971","0.009","3493.8","1.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H42 Cl6 -","- C84 H42 Cl6 -","- C168 H84 Cl12 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","K-L~3~","0.1039","0.0802","","","0.2218","0.2402","","","","","","1.026","","","","has coordinates","235033","2020-10-21","18:00:00",""
"4036653","13.25","0.005","14.375","0.005","14.817","0.005","91.436","0.007","101.907","0.007","115.796","0.006","2465.1","1.5","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H35 N O2 -","- C72 H35 N O2 -","- C144 H70 N2 O4 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.1319","0.0653","","","0.163","0.1984","","","","","","1.018","","","","has coordinates,has disorder","235035","2020-10-21","18:00:00",""
"4036654","13.2486","0.0011","14.4507","0.0012","14.8798","0.0012","91.989","0.002","102.018","0.002","115.489","0.002","2490.1","0.4","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H37 N -","- C75 H37 N -","- C150 H74 N2 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.1239","0.0876","","","0.262","0.2979","","","","","","1.041","","","","has coordinates,has disorder","235037","2020-10-21","18:00:00",""
"4036655","16.4148","0.0008","16.4148","0.0008","50.878","0.003","90","","90","","120","","11872.2","1.1","100","0.2","100","0.2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 N6 O6 -","- C96 H84 N6 O6 -","- C576 H504 N36 O36 -","6","0.166667","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.1076","0.0981","","","0.3669","0.3849","","","","","","2.165","","","","has coordinates","235039","2020-10-21","18:00:00",""
"4036656","13.25","0.006","14.51","0.006","14.908","0.006","91.851","0.017","101.701","0.017","115.336","0.016","2513.6","1.9","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H38 O -","- C73 H38 O -","- C146 H76 O2 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.2222","0.1093","","","0.2911","0.3655","","","","","","1.041","","","","has coordinates,has disorder","235041","2020-10-21","18:00:00",""
"4036657","15.1984","0.0006","15.6148","0.0006","17.8003","0.0007","75.887","0.003","67.008","0.003","61.703","0.002","3415.1","0.2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H58 O2 -","- C96 H58 O2 -","- C192 H116 O4 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.0871","0.0619","","","0.1678","0.188","","","","","","1.023","","","","has coordinates","235043","2020-10-21","18:00:00",""
"4036658","13.642","0.002","14.778","0.003","15.643","0.003","108.404","0.004","110.867","0.003","98.818","0.004","2667.5","0.9","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H29 Cl4 F9 O9 S3 -","- C59 H29 Cl4 F9 O9 S3 -","- C118 H58 Cl8 F18 O18 S6 -","2","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","0.71073","MoKα","","0.0864","0.0568","","","0.139","0.1589","","","","","","1.019","","","","has coordinates,has disorder","235045","2020-10-21","18:00:00",""
"4036659","16.5811","0.0003","15.2702","0.0003","24.5373","0.0005","90","","100.308","0.001","90","","6112.5","0.2","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C90 H50 O2 -","- C90 H50 O2 -","- C360 H200 O8 -","4","1","","Servalli, Marco; Trapp, Nils; Wörle, Michael; Klärner, Frank-Gerrit","Anthraphane: An Anthracene-Based, Propeller-Shaped D(3h)-Symmetric Hydrocarbon Cyclophane and Its Layered Single Crystal Structures.","The Journal of organic chemistry","2016","81","6","2572","2580","10.1021/acs.joc.6b00209","","x-ray","1.54178","CuKα","","0.0539","0.0381","","","0.0916","0.1016","","","","","","1.03","","","","has coordinates,has disorder","235047","2020-10-21","18:00:00",""
"4036660","7.462","0.002","7.805","0.002","8.031","0.002","68.53","0.03","63.42","0.03","88.31","0.03","384.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C12 H12 N2 O10 P2 -","2","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0274","0.0264","","","0.0718","0.0727","","","","","","1.087","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036661","5.565","0.002","12.901","0.004","10.161","0.003","90","","98.32","0.03","90","","721.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C24 H24 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0425","0.032","","","0.0915","0.0964","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036662","8.864","0.003","9.92","0.003","9.5","0.003","90","","115.8","0.03","90","","752.1","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C24 H24 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0502","0.0411","","","0.112","0.1157","","","","","","1.112","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036663","9.349","0.003","9.59","0.003","10.611","0.004","69.88","0.04","72","0.04","74.94","0.04","836.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C24 H32 N4 O24 P4 -","4","2","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0338","0.0291","","","0.0834","0.0858","","","","","","1.05","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036664","7.497","0.002","9.928","0.003","23.123","0.006","90","","90","","90","","1721","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C48 H64 N8 O48 P8 -","8","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0364","0.0286","","","0.079","0.0829","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036665","4.948","0.002","12.937","0.003","13.024","0.003","90","","90","","90","","833.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.045","0.04","","","0.1028","0.1052","","","","","","1.085","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036666","13.41","0.004","8.969","0.003","17.268","0.005","90","","110.48","0.03","90","","1945.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O6 P2 -","- C6 H9 N O6 P2 -","- C48 H72 N8 O48 P16 -","8","2","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0335","0.0287","","","0.0727","0.0751","","","","","","1.035","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036667","5.93","0.002","13.177","0.003","11.05","0.003","90","","95.51","0.03","90","","859.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N O5 P -","- C6 H12 N O5 P -","- C24 H48 N4 O20 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0468","0.0328","","","0.0927","0.0978","","","","","","1.084","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036668","7.586","0.002","6.943","0.002","18.472","0.004","90","","99.37","0.03","90","","959.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N O6 P -","- C6 H14 N O6 P -","- C24 H56 N4 O24 P4 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","1.5418","CuKα","","0.0781","0.0635","","","0.1579","0.1637","","","","","","1.027","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036669","18.0157","0.0006","24.8696","0.0008","7.5007","0.0003","90","","90","","90","","3360.6","0.2","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Cl N O3 S -","- C18 H12 Cl N O3 S -","- C144 H96 Cl8 N8 O24 S8 -","8","1","","Bharathiraja, Ganesan; Sathishkannan, Gopal; Punniyamurthy, Tharmalingam","Domino Synthesis of Tetrasubstituted Thiophenes from 1,3-Enynes with Mercaptoacetaldehyde.","The Journal of organic chemistry","2016","81","6","2670","2674","10.1021/acs.joc.6b00231","","","0.71073","MoKα","","0.0852","0.0441","","","0.1093","0.1237","","","","","","1.058","","","","has coordinates","235054","2020-10-21","18:00:00",""
"4036670","17.7379","0.0005","9.4418","0.0003","18.8452","0.0006","90","","106.138","0.0015","90","","3031.78","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 Au N4 O4 -","- C31 H37 Au N4 O4 -","- C124 H148 Au4 N16 O16 -","4","0.5","","Mir, Roya; Dudding, Travis","A Au(I)-Precatalyst with a Cyclopropenium Counterion: An Unusual Ion Pair.","The Journal of organic chemistry","2016","81","6","2675","2679","10.1021/acs.joc.6b00241","","","0.71073","MoKα","","0.0429","0.0303","","","0.0758","0.0827","","","","","","1.046","","","","has coordinates,has disorder","235055","2020-10-21","18:00:00",""
"4036671","4.7994","0.0004","13.7192","0.0012","13.8234","0.0013","90","","95.721","0.002","90","","905.65","0.14","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Li, Xing Guang; Sun, Min; Jin, Qiao; Liu, Kai; Liu, Pei Nian","Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds.","The Journal of organic chemistry","2016","81","9","3901","3910","10.1021/acs.joc.6b00264","","","0.71073","MoKα","","0.0525","0.042","","","0.1138","0.1228","","","","","","1.057","","","","has coordinates","235057","2020-10-21","18:00:00",""
"4036672","11.414","0.0019","22.478","0.004","7.5849","0.0012","90","","105.181","0.003","90","","1878.1","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Li, Xing Guang; Sun, Min; Jin, Qiao; Liu, Kai; Liu, Pei Nian","Access to Isoquinolines and Isoquinolin-3-ols via Rh(III)-Catalyzed Coupling/Cyclization Cascade Reaction of Arylimidates and Diazo Compounds.","The Journal of organic chemistry","2016","81","9","3901","3910","10.1021/acs.joc.6b00264","","","0.71073","MoKα","","0.0684","0.051","","","0.1069","0.1149","","","","","","1.059","","","","has coordinates","235059","2020-10-21","18:00:00",""
"4036673","12.742","0.003","14.71","0.003","29.88","0.006","90","","90","","90","","5601","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H36 B N3 -","- C35 H36 B N3 -","- C280 H288 B8 N24 -","8","1","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.2488","0.1087","","","0.2289","0.315","","","","","","0.986","","","","has coordinates","235061","2020-10-21","18:00:00",""
"4036674","10.4924","0.0004","10.6628","0.0004","18.416","0.0004","74.5955","0.0019","84.469","0.002","89.0236","0.0013","1977.01","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","DCC_LU40","","","- C27 H19 B N2 O -","- C27 H19 B N2 O -","- C108 H76 B4 N8 O4 -","4","2","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.102","0.0547","","","0.1209","0.1396","","","","","","0.973","","","","has coordinates","235063","2020-10-21","18:00:00",""
"4036675","9.225","0.002","11.4","0.003","27.925","0.006","83.904","0.012","80.98","0.012","88.585","0.014","2883.9","1.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 N O2 S -","- C33 H23 N O2 S -","- C132 H92 N4 O8 S4 -","4","2","","Mahendran, Vaithiyanathan; Pasumpon, Kamaraj; Thimmarayaperumal, Solaimalai; Thilagar, Pakkirisamy; Shanmugam, Sivakumar","Tetraphenylethene-2-Pyrone Conjugate: Aggregation-Induced Emission Study and Explosives Sensor.","The Journal of organic chemistry","2016","81","9","3597","3602","10.1021/acs.joc.6b00267","","","0.71073","MoKα","","0.1661","0.1026","","","0.2656","0.3067","","","","","","1.007","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036676","10.372","0.003","13.12","0.003","15.398","0.004","85.798","0.006","72.706","0.007","78.441","0.006","1959.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.26 H14.26 F18 N4.45 O3 -","- C47.2535 H14.2535 F18 N4.4507 O3 -","- C94.507 H28.507 F36 N8.9014 O6 -","2","1","","Hyland, Michael A.; Hewage, Nisansala; Panther, Kimberly; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Samaraweera, Milinda; Gascon, José A; Brückner, Christian","Chromene-Annulated Bacteriochlorins.","The Journal of organic chemistry","2016","81","9","3603","3618","10.1021/acs.joc.6b00273","","","0.71073","MoKα","","0.1767","0.0721","","","0.1584","0.1992","","","","","","0.975","","","","has coordinates,has disorder","235067","2020-10-21","18:00:00",""
"4036677","11.9327","0.0006","12.6785","0.0007","17.6556","0.0009","90","","109.402","0.002","90","","2519.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O5 S -","- C22 H27 N3 O5 S -","- C88 H108 N12 O20 S4 -","4","2","","Shan, Jing; Cui, Baodong; Wang, Yu; Yang, Chengli; Zhou, Xiaojian; Han, Wenyong; Chen, Yongzheng","Organocatalytic Asymmetric Mannich Reaction of 3-Hydroxyoxindoles/3-Aminooxindoles with in Situ Generated N-Boc-Protected Aldimines for the Synthesis of Vicinal Oxindole-Diamines/Amino Alcohols.","The Journal of organic chemistry","2016","81","13","5270","5277","10.1021/acs.joc.6b00278","","","0.71073","MoKα","","0.0823","0.0522","","","0.1317","0.1481","","","","","","0.955","","","","has coordinates,has disorder","235069","2020-10-21","18:00:00",""
"4036678","11.9507","0.001","8.452","0.0005","17.0816","0.0014","90","","107.7","0.01","90","","1643.7","0.2","97.6","","97.6","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrimido[2,1-a:4,3-a']diisoquinoline","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Yang, Zhanhui; He, Wei; Cheng, Baoxiang; Xu, Jiaxi","Stereochemistry and Mechanistic Insight in the [2(k)+2(i)+2(i)] Annulations of Ketenes and Imines.","The Journal of organic chemistry","2016","81","11","4506","4515","10.1021/acs.joc.6b00279","","","0.7107","MoKα","","0.0651","0.0463","","","0.098","0.1084","","","","","","1.036","","","","has coordinates","235072","2020-10-21","18:00:00",""
"4036679","10.807","0.002","11.284","0.002","15.094","0.003","90","","90","","90","","1840.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8","","","- C20 H26 Cl N3 O -","- C20 H26 Cl N3 O -","- C80 H104 Cl4 N12 O4 -","4","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0403","0.0365","","","0.0882","0.0915","","","","","","1.033","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036680","7.1107","0.0011","16.739","0.003","23.312","0.004","90","","90","","90","","2774.7","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","10","","","- C33 H38 Cl N3 O2 -","- C33 H38 Cl N3 O2 -","- C132 H152 Cl4 N12 O8 -","4","0.5","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0674","0.0492","","","0.0969","0.1062","","","","","","1.049","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036681","15.5961","0.0009","15.5961","0.0009","14.7319","0.0009","90","","90","","90","","3583.4","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","38","","","- C13 H27 Cl3 N3 -","- C13 H27 Cl3 N3 -","- C104 H216 Cl24 N24 -","8","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0328","0.0296","","","0.0751","0.0776","","","","","","1.039","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036682","8.4477","0.0002","6.0345","0.0002","13.8768","0.0004","90","","104.753","0.002","90","","684.09","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C26 H28 F8 O8 -","2","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0505","0.0416","","","0.0926","0.0991","","","","","","1.073","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036683","8.8199","0.0003","5.5422","0.0002","28.043","0.0007","90","","91.413","0.002","90","","1370.37","0.08","120","2","120","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C52 H56 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","K-L~2,3~","0.0506","0.0471","","","0.1156","0.118","","","","","","1.13","","","","has coordinates,has disorder","235077","2020-10-21","18:00:00",""
"4036684","11.179","0.005","9.212","0.004","7.815","0.004","90","","95.815","0.009","90","","800.7","0.6","100","2","100","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 F4 O4 -","- C6 H8 F4 O4 -","- C24 H32 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0348","0.0298","","","0.0734","0.0761","","","","","","1.061","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036685","8.352","0.003","9.152","0.004","9.948","0.003","90","","90","","90","","760.4","0.5","100","2","100","2","","","","","","","Clement Fontenelle","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F4 O4 -","- C6 H8 F4 O4 -","- C24 H32 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0541","0.0463","","","0.1118","0.1142","","","","","","0.994","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036686","6.409","0.003","13.252","0.006","15.665","0.007","90","","90","","90","","1330.5","1.1","100","2","100","2","","","","","","","Samuel Golten","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C52 H56 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0482","0.0439","","","0.0708","0.0724","","","","","","1.164","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036687","6.818","0.002","8.012","0.002","16.976","0.006","90","","90.728","0.005","90","","927.3","0.5","100","2","100","2","","","","","","","Clement Fontenelle","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 F4 O4 -","- C7 H10 F4 O4 -","- C28 H40 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0359","0.0315","","","0.0743","0.0773","","","","","","1.071","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036688","8.376","0.004","15.294","0.007","15.064","0.007","90","","90","","90","","1929.7","1.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7 H10 F4 O4 -","- C7 H10 F4 O4 -","- C56 H80 F32 O32 -","8","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.1272","0.0857","","","0.1622","0.1852","","","","","","1.15","","","","has coordinates,has disorder","235077","2020-10-21","18:00:00",""
"4036689","6.0449","0.0002","9.1342","0.0003","25.1182","0.0017","90","","94.374","0.007","90","","1382.87","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br F4 O2 -","- C15 H11 Br F4 O2 -","- C60 H44 Br4 F16 O8 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71075","MoKα","K-L~3~","0.0302","0.0255","","","0.0739","0.0759","","","","","","1.126","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036690","9.2027","0.0012","5.966","0.0006","25.78","0.003","90","","99.679","0.002","90","","1395.3","0.3","100","2","100","2","","","","","","","Clement Fontenelle","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br F4 O2 -","- C15 H11 Br F4 O2 -","- C60 H44 Br4 F16 O8 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0318","0.0295","","","0.0767","0.0782","","","","","","1.035","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036691","19.9933","0.0011","10.6809","0.0008","15.059","0.0014","90","","110.869","0.002","90","","3004.8","0.4","298","2","298","2","","","","","","","Clement Fontenelle","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F4 O7 -","- C12 H14 F4 O7 -","- C96 H112 F32 O56 -","8","2","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71073","MoKα","","0.0597","0.0373","","","0.094","0.1028","","","","","","0.961","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036692","8.03533","0.00015","9.59356","0.00019","41.5946","0.0009","90","","90","","90","","3206.42","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F4 O4 -","- C17 H16 F4 O4 -","- C136 H128 F32 O32 -","8","2","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.048","0.0453","","","0.1188","0.1212","","","","","","1.034","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036693","34.459","0.003","6.7887","0.0007","18.2939","0.0018","90","","93.152","0.002","90","","4273.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 O2 S -","- C26 H22 O2 S -","- C208 H176 O16 S8 -","8","1","","Xie, Meihua; Wang, Shengke; Wang, Jun; Fang, Kuang; Liu, Changqing; Zha, Chao; Jia, Jing","Construction of Substituted Benzenes via Pd-Catalyzed Cross-Coupling/Cyclization Reaction of Vinyl Halides and Terminal Alkynes.","The Journal of organic chemistry","2016","81","8","3329","3334","10.1021/acs.joc.6b00308","","","0.71073","MoKα","","0.063","0.0464","","","0.1356","0.151","","","","","","1.023","","","","has coordinates","235080","2020-10-21","18:00:00",""
"4036694","9.769","0.002","10.877","0.003","18.235","0.004","90","","90","","90","","1937.6","0.8","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0325","0.0322","","","0.1125","0.113","","","","","","0.972","","","","has coordinates","235082","2020-10-21","18:00:00",""
"4036695","18.199","0.005","7.93","0.002","13.983","0.004","90","","102.149","0.003","90","","1972.8","0.9","173.15","","173.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0293","0.0284","","","0.0686","0.0692","","","","","","1.072","","","","has coordinates","235084","2020-10-21","18:00:00",""
"4036696","20.7493","0.0011","15.5182","0.0008","25.9268","0.0014","90","","95.456","0.003","90","","8310.4","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TEMPO","","- C25 H28 N O3 -","- C25 H28 N O3 -","- C400 H448 N16 O48 -","16","2","","Aparici-Espert, Isabel; Francés-Monerris, Antonio; Rodríguez-Muñiz, Gemma M; Roca-Sanjuán, Daniel; Lhiaubet-Vallet, Virginie; Miranda, Miguel A.","A Combined Experimental and Theoretical Approach to the Photogeneration of 5,6-Dihydropyrimidin-5-yl Radicals in Nonaqueous Media.","The Journal of organic chemistry","2016","81","10","4031","4038","10.1021/acs.joc.6b00314","","x-ray","0.71073","MoKα","","0.157","0.0851","","","0.2133","0.2598","","","","","","1.034","","","","has coordinates,has disorder","235086","2020-10-21","18:00:00",""
"4036697","7.5084","0.0007","13.275","0.0011","11.7594","0.0011","90","","97.617","0.003","90","","1161.76","0.18","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O8 -","- C26 H19 N3 O8 -","- C52 H38 N6 O16 -","2","1","","Ramig, Keith; Subramaniam, Gopal; Karimi, Sasan; Szalda, David J.; Ko, Allen; Lam, Aaron; Li, Jeffrey; Coaderaj, Ani; Cavdar, Leyla; Bogdan, Lukasz; Kwon, Kitae; Greer, Edyta M.","Interplay of Nitrogen-Atom Inversion and Conformational Inversion in Enantiomerization of 1H-1-Benzazepines.","The Journal of organic chemistry","2016","81","8","3313","3320","10.1021/acs.joc.6b00319","","","0.71073","MoKα","","0.1543","0.058","","","0.0817","0.1019","","","","","","0.953","","","","has coordinates,has disorder","235088","2020-10-21","18:00:00",""
"4036698","8.477","0.0003","10.9753","0.0004","25.6472","0.0009","90","","90","","90","","2386.15","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ethyl (6aS,7R,7aS)-3-bromo-6-chloro-6a,7a-dihydro-7H -cyclopropa[d]imidazo[1,2-b]pyridazine-7-carboxylate","","- C10 H9 Br Cl N3 O2 -","- C10 H9 Br Cl N3 O2 -","- C80 H72 Br8 Cl8 N24 O16 -","8","2","","Joshi-Pangu, Amruta; Cohen, Ryan D.; Tudge, Matthew T.; Chen, Yonggang","Dearomatization of Electron-Deficient Nitrogen Heterocycles via Cobalt-Catalyzed Asymmetric Cyclopropanation.","The Journal of organic chemistry","2016","81","8","3070","3075","10.1021/acs.joc.6b00322","","","1.54178","CuKα","","0.0149","0.0147","","","0.0374","0.0375","","","","","","1.042","","","","has coordinates","235090","2020-10-21","18:00:00",""
"4036699","7.452","0.0007","12.696","0.0011","17.794","0.0015","88.96","0.002","85.354","0.001","83.372","0.001","1666.7","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H26 Br2 F2 N4 O2 S2 -","- C34 H26 Br2 F2 N4 O2 S2 -","- C68 H52 Br4 F4 N8 O4 S4 -","2","1","","Sun, Jun; Qiu, Jiang-Kai; Jiang, Bo; Hao, Wen-Juan; Guo, Cheng; Tu, Shu-Jiang","I2-Catalyzed Multicomponent Reactions for Accessing Densely Functionalized Pyrazolo[1,5-a]pyrimidines and Their Disulphenylated Derivatives.","The Journal of organic chemistry","2016","81","8","3321","3328","10.1021/acs.joc.6b00332","","","0.71073","MoKα","","0.218","0.1249","","","0.356","0.3891","","","","","","1.096","","","","has coordinates","235092","2020-10-21","18:00:00",""
"4036700","10.6993","0.0009","18.1201","0.0016","11.5317","0.0011","90","","116.43","0.002","90","","2002","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O5 S -","- C21 H18 N4 O5 S -","- C84 H72 N16 O20 S4 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Jiang, Bo; Hao, Wen-Juan; Guo, Cheng; Tu, Shu-Jiang","I2-Catalyzed Multicomponent Reactions for Accessing Densely Functionalized Pyrazolo[1,5-a]pyrimidines and Their Disulphenylated Derivatives.","The Journal of organic chemistry","2016","81","8","3321","3328","10.1021/acs.joc.6b00332","","","0.71073","MoKα","","0.1092","0.051","","","0.0941","0.1057","","","","","","1.072","","","","has coordinates,has disorder","235095","2020-10-21","18:00:00",""
"4036701","6.3341","0.0005","12.6687","0.0011","14.0857","0.0012","90","","90","","90","","1130.3","0.16","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Bagdasarian, Alex L.; Nguyen, Huy H.; Palazzo, Teresa A.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","One-Pot Synthesis of Benzo[4,5]imidazo[2,1-a]isoquinolines and Isoquinolino[3,4-b]quinoxalines via Tandem Cyclization Strategies.","The Journal of organic chemistry","2016","81","9","3924","3928","10.1021/acs.joc.6b00338","","","1.54178","CuKα","","0.0272","0.0272","","","0.0729","0.0729","","","","","","1.053","","","","has coordinates","235097","2020-10-21","18:00:00",""
"4036702","11.2549","0.0009","21.3447","0.0017","7.1406","0.0006","90","","102.257","0.0012","90","","1676.3","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Bagdasarian, Alex L.; Nguyen, Huy H.; Palazzo, Teresa A.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","One-Pot Synthesis of Benzo[4,5]imidazo[2,1-a]isoquinolines and Isoquinolino[3,4-b]quinoxalines via Tandem Cyclization Strategies.","The Journal of organic chemistry","2016","81","9","3924","3928","10.1021/acs.joc.6b00338","","","0.71073","MoKα","","0.0502","0.0459","","","0.1117","0.1147","","","","","","1.084","","","","has coordinates,has disorder","235098","2020-10-21","18:00:00",""
"4036703","10.6449","0.0009","3.7919","0.0003","15.6497","0.0014","90","","101.161","0.006","90","","619.74","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 O2 S -","- C18 H8 O2 S -","- C36 H16 O4 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0633","0.0504","","","0.1175","0.1242","","","","","","1.037","","","","has coordinates,has disorder","235101","2020-10-21","18:00:00",""
"4036704","14.4257","0.0004","7.1547","0.0002","13.5478","0.0005","90","","108.148","0.002","90","","1328.73","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 S -","- C36 H30 S -","- C72 H60 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0507","0.0427","","","0.1132","0.1202","","","","","","1.033","","","","has coordinates","235103","2020-10-21","18:00:00",""
"4036705","12.4687","0.0011","8.077","0.0008","30.511","0.003","90","","98.391","0.007","90","","3039.9","0.5","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 S2 -","- C72 H58 S2 -","- C144 H116 S4 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0796","0.0586","","","0.1677","0.1791","","","","","","1.035","","","","has coordinates","235105","2020-10-21","18:00:00",""
"4036706","7.902","0.0008","26.05","0.002","36.307","0.003","90","","92.155","0.007","90","","7468.4","1.1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N S -","- C47 H40 N S -","- C376 H320 N8 S8 -","8","2","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.1436","0.0909","","","0.2383","0.2823","","","","","","1.03","","","","has coordinates","235106","2020-10-21","18:00:00",""
"4036707","14.422","0.003","7.1233","0.0015","13.738","0.003","90","","109.229","0.004","90","","1332.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 S -","- C36 H30 S -","- C72 H60 S2 -","2","0.5","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","0.71073","MoKα","","0.0842","0.0496","","","0.1058","0.1202","","","","","","1.024","","","","has coordinates,has disorder","235108","2020-10-21","18:00:00",""
"4036708","17.8322","0.0005","8.1594","0.0002","21.3798","0.0006","90","","98.114","0.002","90","","3079.62","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 S -","- C40 H38 S -","- C160 H152 S4 -","4","1","","Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M.","Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene.","The Journal of organic chemistry","2016","81","9","3674","3680","10.1021/acs.joc.6b00340","","","1.54178","CuKα","","0.0626","0.0484","","","0.1303","0.1404","","","","","","1.035","","","","has coordinates","235109","2020-10-21","18:00:00",""
"4036709","10.082","0.013","10.799","0.015","13.267","0.017","105.568","0.016","93.489","0.01","111.33","0.02","1276","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N O S -","- C32 H25 N O S -","- C64 H50 N2 O2 S2 -","2","1","","Nandi, Ganesh Chandra; Singh, Maya Shankar","p-TSA/Base-Promoted Propargylation/Cyclization of β-Ketothioamides for the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.","The Journal of organic chemistry","2016","81","14","5824","5836","10.1021/acs.joc.6b00342","","","0.71073","MoKα","","0.1329","0.0638","","","0.1566","0.1823","","","","","","0.581","","","","has coordinates","235111","2020-10-21","18:00:00",""
"4036710","9.693","0.008","11.824","0.01","12.174","0.009","75.4","0.03","81.66","0.04","88.8","0.04","1335.8","1.9","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl N O2 S -","- C32 H26 Cl N O2 S -","- C64 H52 Cl2 N2 O4 S2 -","2","1","","Nandi, Ganesh Chandra; Singh, Maya Shankar","p-TSA/Base-Promoted Propargylation/Cyclization of β-Ketothioamides for the Regioselective Synthesis of Highly Substituted (Hydro)thiophenes.","The Journal of organic chemistry","2016","81","14","5824","5836","10.1021/acs.joc.6b00342","","","0.71073","MoKα","","0.1498","0.0749","","","0.1592","0.1835","","","","","","0.684","","","","has coordinates","235113","2020-10-21","18:00:00",""
"4036711","9.594","0.007","9.699","0.007","11.132","0.006","67.85","0.05","65.73","0.04","70.29","0.05","854","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C44 H32 Cl2 N2 O2 -","2","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.058","0.0558","","","0.1473","0.1497","","","","","","1.049","","","","has coordinates","235115","2020-10-21","18:00:00",""
"4036712","14.855","0.008","14.726","0.008","16.022","0.009","90","","90","","90","","3505","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl N O -","- C22 H18 Cl N O -","- C176 H144 Cl8 N8 O8 -","8","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.0565","0.0448","","","0.1058","0.1126","","","","","","1.024","","","","has coordinates","235117","2020-10-21","18:00:00",""
"4036713","11.2211","0.0014","12.2573","0.0016","12.3317","0.0017","64.763","0.003","84.332","0.003","62.918","0.002","1356.4","0.3","293","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C70 H58 N2 O6 -","2","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.0967","0.051","","","0.1172","0.1391","","","","","","1.016","","","","has coordinates","235119","2020-10-21","18:00:00",""
"4036714","9.5214","0.0014","10.2787","0.0016","12.4442","0.0019","83.817","0.004","81.424","0.003","88.874","0.004","1197.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O -","- C33 H25 N O -","- C66 H50 N2 O2 -","2","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.0895","0.0558","","","0.1343","0.1535","","","","","","1.017","","","","has coordinates","235121","2020-10-21","18:00:00",""
"4036715","6.3888","0.0011","21.936","0.004","22.578","0.004","90","","90","","90","","3164.2","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N O2 -","- C42 H33 N O2 -","- C168 H132 N4 O8 -","4","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.076","0.0476","","","0.1035","0.116","","","","","","0.953","","","","has coordinates","235122","2020-10-21","18:00:00",""
"4036716","11.0733","0.001","13.034","0.0013","19.5764","0.0019","90","","93.82","0.003","90","","2819.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C140 H116 N4 O12 -","4","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.1061","0.0545","","","0.1302","0.1541","","","","","","1.013","","","","has coordinates","235124","2020-10-21","18:00:00",""
"4036717","7.2421","0.0016","7.249","0.0016","12.642","0.003","90","","90","","90","","663.7","0.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N6 -","- C4 H8 N6 -","- C16 H32 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0381","0.0369","","","0.0953","0.096","","","","","","1.103","","","","has coordinates","235126","2020-10-21","18:00:00",""
"4036718","14.8994","0.0009","10.3474","0.0007","28.42","0.002","90","","90.814","0.002","90","","4381.1","0.5","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 N6 -","- C8 H16 N6 -","- C128 H256 N96 -","16","2","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0705","0.0531","","","0.1428","0.1562","","","","","","1.029","","","","has coordinates","235128","2020-10-21","18:00:00",""
"4036719","20.343","0.005","20.343","0.005","9.88","0.003","90","","90","","120","","3540.9","1.6","233","2","233","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C90 H180 N108 -","18","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0442","","","0.1214","0.133","","","","","","1.045","","","","has coordinates","235130","2020-10-21","18:00:00",""
"4036720","7.3976","0.001","7.3976","0.001","13.714","0.002","90","","90","","90","","750.49","0.18","230","2","230","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C5 H10 N6 -","- C5 H10 N6 -","- C20 H40 N24 -","4","0.5","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0322","0.0294","","","0.0821","0.084","","","","","","1.116","","","","has coordinates","235131","2020-10-21","18:00:00",""
"4036724","7.083","0.0007","11.3665","0.0014","12.0396","0.0015","90","","90","","90","","969.3","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N6 -","- C7 H14 N6 -","- C28 H56 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0429","","","0.1153","0.1247","","","","","","1.051","","","","has coordinates","235133","2020-10-21","18:00:00",""
"4036725","7.4349","0.0013","9.2666","0.0014","12.249","0.002","90","","103.723","0.006","90","","819.8","0.2","205","2","205","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N6 -","- C6 H12 N6 -","- C24 H48 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0663","0.0468","","","0.1194","0.133","","","","","","1.051","","","","has coordinates","235135","2020-10-21","18:00:00",""
"4036726","15.079","0.005","9.051","0.003","15.77","0.005","90","","90.259","0.004","90","","2152.3","1.2","296","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 O5 P -","- C21 H19 F6 O5 P -","- C84 H76 F24 O20 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.062","0.0517","","","0.1498","0.1683","","","","","","1.093","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036727","9.297","0.005","12.571","0.006","15.387","0.007","90","","101.619","0.007","90","","1761.5","1.5","296","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.1218","0.0584","","","0.1535","0.188","","","","","","1","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036728","14.973","0.006","11.931","0.004","13.665","0.005","90","","109.548","0.005","90","","2300.5","1.5","296","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F6 O6 P -","- C21 H23 F6 O6 P -","- C84 H92 F24 O24 P4 -","4","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.0649","0.0472","","","0.1351","0.1559","","","","","","0.981","","","","has coordinates,has disorder","235137","2020-10-21","18:00:00",""
"4036729","6.964","0.007","11.279","0.012","11.328","0.012","71.02","0.011","82.779","0.012","75.326","0.011","813","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 F6 O2 -","- C17 H12 F6 O2 -","- C34 H24 F12 O4 -","2","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Efimov, Sergey V.; Aminova, Roza M.; Karataeva, Farida Kh; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Klochkov, Vladimir V.","Stereoselective PCO/POC-Rearrangement of P-C-Cage Phosphorane in the Reaction of 4,5-Dimethyl-2-(2-oxo-1,2-diphenyl)ethoxy-1,3,2-dioxaphospholane with Hexafluoroacetone.","The Journal of organic chemistry","2016","81","14","5837","5850","10.1021/acs.joc.6b00356","","x-ray","0.71073","MoKα","","0.0953","0.0534","","","0.0938","0.104","","","","","","1.489","","","","has coordinates","235137","2020-10-21","18:00:00",""
"4036730","7.5811","0.0002","11.5805","0.0003","24.0536","0.0009","90","","90","","90","","2111.74","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Buchman, Marek; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Rowe, Sam M.; Thomson, James E.","Asymmetric Syntheses of (+)-Preussin B, the C(2)-Epimer of (-)-Preussin B, and 3-Deoxy-(+)-preussin B.","The Journal of organic chemistry","2016","81","12","4907","4922","10.1021/acs.joc.6b00362","","","0.71073","MoKα","","0.0577","0.043","","0.0999","0.092","0.0999","","","","","","0.9877","","","","has coordinates","235139","2020-10-21","18:00:00",""
"4036731","16.0224","0.0012","16.2752","0.0014","18.4727","0.0016","78.849","0.003","77.882","0.002","64.901","0.002","4235.3","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H49 Cl2 I -","- C55 H49 Cl2 I -","- C220 H196 Cl8 I4 -","4","2","","Hibi, Daijiro; Kitabayashi, Kenichi; Fujita, Kazuya; Takeda, Takashi; Tobe, Yoshito","Diindenopyrenes: Extended 1,6- and 1,8-Pyrenoquinodimethanes with Singlet Diradical Characters.","The Journal of organic chemistry","2016","81","9","3735","3743","10.1021/acs.joc.6b00389","","","0.71075","MoKα","","0.1601","0.0816","","","0.1682","0.2217","","","","","","1.004","","","","has coordinates,has disorder","235141","2020-10-21","18:00:00",""
"4036732","9.5696","0.0007","10.6323","0.0006","26.1335","0.0014","90","","90","","90","","2659","0.3","300.79","0.1","300.79","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 Br N O3 -","- C27 H38 Br N O3 -","- C108 H152 Br4 N4 O12 -","4","1","","Zhang, Xiang-Zhi; Deng, Yu-Hua; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Ma, Xiao-Yan; Fan, Chun-An","Diastereoselective and Enantioselective Synthesis of Unsymmetric β,β-Diaryl-α-Amino Acid Esters via Organocatalytic 1,6-Conjugate Addition of para-Quinone Methides.","The Journal of organic chemistry","2016","81","13","5655","5662","10.1021/acs.joc.6b00390","","x-ray","1.54184","CuKα","","0.0479","0.0419","","","0.1078","0.1173","","","","","","1.09","","","","has coordinates","235143","2020-10-21","18:00:00",""
"4036733","11.6051","0.0005","22.0708","0.001","21.4258","0.0012","90","","90","","90","","5487.9","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N4 -","- C34 H26 N4 -","- C272 H208 N32 -","8","1","","Nebe, Marco M.; Kucukdisli, Murat; Opatz, Till","3,4-Dihydro-2H-pyrrole-2-carbonitriles: Useful Intermediates in the Synthesis of Fused Pyrroles and 2,2'-Bipyrroles.","The Journal of organic chemistry","2016","81","10","4112","4121","10.1021/acs.joc.6b00393","","","0.71073","MoKα","","0.1126","0.0462","","","0.0927","0.1157","","","","","","0.905","","","","has coordinates","235145","2020-10-21","18:00:00",""
"4036734","7.888","0.004","12.138","0.005","16.364","0.008","90","","90","","90","","1566.8","1.3","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.033","0.0296","","","0.0679","0.0695","","","","","","1.07","","","","has coordinates","235148","2020-10-21","18:00:00",""
"4036735","7.8","0.003","11.334","0.005","18.031","0.007","90","","90","","90","","1594","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0339","0.0316","","","0.074","0.0756","","","","","","1.096","","","","has coordinates","235150","2020-10-21","18:00:00",""
"4036736","7.997","0.002","11.722","0.002","16.948","0.003","90","","90","","90","","1588.7","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0249","0.0231","","","0.0543","0.0551","","","","","","1.086","","","","has coordinates","235152","2020-10-21","18:00:00",""
"4036737","8.028","0.002","11.128","0.002","18.411","0.004","90","","90","","90","","1644.8","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0201","0.0196","","","0.0469","0.0471","","","","","","1.15","","","","has coordinates","235154","2020-10-21","18:00:00",""
"4036738","7.779","0.004","12.148","0.005","16.057","0.007","90","","90","","90","","1517.4","1.2","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0197","","","0.0426","0.0431","","","","","","1.069","","","","has coordinates","235156","2020-10-21","18:00:00",""
"4036739","7.985","0.003","11.766","0.004","17.716","0.007","90","","90","","90","","1664.4","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0291","0.0287","","","0.0753","0.0755","","","","","","1.105","","","","has coordinates","235158","2020-10-21","18:00:00",""
"4036740","7.957","0.003","10.91","0.004","18.607","0.007","90","","90","","90","","1615.3","1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0167","0.0163","","","0.0389","0.0393","","","","","","1.122","","","","has coordinates","235159","2020-10-21","18:00:00",""
"4036741","8.219","0.003","11.493","0.005","18.059","0.007","90","","90","","90","","1705.9","1.2","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 I6 N2 -","- C10 H2 I6 N2 -","- C40 H8 I24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0204","0.02","","","0.0486","0.0488","","","","","","1.22","","","","has coordinates","235161","2020-10-21","18:00:00",""
"4036742","7.6444","0.0001","11.7708","0.0002","16.6604","0.0003","90","","90","","90","","1499.11","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br6 N2 -","- C10 H2 Br6 N2 -","- C40 H8 Br24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","1.54184","CuKα","","0.029","0.0287","","","0.0754","0.0754","","","","","","1.159","","","","has coordinates","235163","2020-10-21","18:00:00",""
"4036743","7.906","0.003","11.78","0.005","17.605","0.007","90","","90","","90","","1639.6","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.022","0.0217","","","0.0519","0.052","","","","","","1.187","","","","has coordinates","235165","2020-10-21","18:00:00",""
"4036744","7.659","0.004","11.921","0.006","15.999","0.011","90","","90","","90","","1460.8","1.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 Cl2 N2 -","- C10 H2 Br4 Cl2 N2 -","- C40 H8 Br16 Cl8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0265","0.0236","","","0.0521","0.0532","","","","","","1.042","","","","has coordinates","235167","2020-10-21","18:00:00",""
"4036745","8.034","0.002","11.838","0.002","16.278","0.003","90","","90","","90","","1548.1","0.5","102","2","102","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0163","0.0152","","","0.0331","0.0333","","","","","","1.081","","","","has coordinates","235168","2020-10-21","18:00:00",""
"4036746","8.177","0.006","12.152","0.008","16.434","0.01","90","","90","","90","","1633","1.9","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0191","","","0.0382","0.0389","","","","","","1.082","","","","has coordinates","235170","2020-10-21","18:00:00",""
"4036747","7.913","0.005","11.911","0.009","15.781","0.012","90","","90","","90","","1487.4","1.9","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0271","0.0243","","","0.0515","0.0523","","","","","","1.041","","","","has coordinates","235171","2020-10-21","18:00:00",""
"4036748","34.888","0.004","4.8922","0.0005","17.4916","0.0017","90","","110.613","0.001","90","","2794.3","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 B F2 N3 -","- C17 H12 B F2 N3 -","- C136 H96 B8 F16 N24 -","8","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0506","0.0367","","","0.0889","0.0985","","","","","","1.016","","","","has coordinates","235173","2020-10-21","18:00:00",""
"4036749","7.6921","0.0008","11.1753","0.0019","11.9129","0.0012","109.312","0.001","108.557","0.001","100.366","0.002","868.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B F2 N3 -","- C20 H18 B F2 N3 -","- C40 H36 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0587","0.0466","","","0.1229","0.1331","","","","","","1.023","","","","has coordinates","235175","2020-10-21","18:00:00",""
"4036750","13.041","0.002","20.065","0.004","7.4322","0.0013","90","","105.281","0.002","90","","1876","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B F2 N3 -","- C22 H22 B F2 N3 -","- C88 H88 B4 F8 N12 -","4","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.1062","0.0507","","","0.1145","0.1414","","","","","","0.996","","","","has coordinates","235176","2020-10-21","18:00:00",""
"4036751","10.496","0.002","11.1292","0.0011","11.1886","0.0012","117.414","0.001","99.163","0.002","93.096","0.001","1133.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 B F2 N3 -","- C26 H30 B F2 N3 -","- C52 H60 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0756","0.0645","","","0.2303","0.2534","","","","","","0.98","","","","has coordinates","235178","2020-10-21","18:00:00",""
"4036752","8.767","0.003","10.13","0.004","10.958","0.004","113.466","0.004","90.443","0.004","102.176","0.004","868","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B F2 N3 -","- C20 H18 B F2 N3 -","- C40 H36 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.069","0.0513","","","0.1338","0.1481","","","","","","1.035","","","","has coordinates","235180","2020-10-21","18:00:00",""
"4036753","7.202","0.0015","11.602","0.002","12.935","0.003","69.074","0.002","76.029","0.003","81.505","0.003","977.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 B F2 N3 O -","- C23 H20 B F2 N3 O -","- C46 H40 B2 F4 N6 O2 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.105","0.0553","","","0.139","0.1683","","","","","","0.994","","","","has coordinates","235181","2020-10-21","18:00:00",""
"4036754","7.4969","0.0009","9.2933","0.0011","15.1595","0.0017","97.635","0.001","102.255","0.001","106.779","0.001","966.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 B F2 N3 -","- C24 H20 B F2 N3 -","- C48 H40 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0703","0.044","","","0.1011","0.1146","","","","","","1.008","","","","has coordinates","235182","2020-10-21","18:00:00",""
"4036755","8.5259","0.0013","9.9712","0.0016","10.9526","0.0017","115.832","0.002","93.243","0.002","103.522","0.002","801.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 B F2 N3 -","- C19 H16 B F2 N3 -","- C38 H32 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0503","0.0429","","","0.1195","0.1262","","","","","","1.009","","","","has coordinates","235184","2020-10-21","18:00:00",""
"4036756","7.4751","0.0009","11.1726","0.0014","13.0125","0.0016","67.781","0.001","85.089","0.002","87.239","0.002","1002.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 B F2 N3 -","- C23 H24 B F2 N3 -","- C46 H48 B2 F4 N6 -","2","1","","Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties.","The Journal of organic chemistry","2016","81","9","3761","3770","10.1021/acs.joc.6b00414","","","0.71073","MoKα","","0.0753","0.0488","","","0.1339","0.1488","","","","","","1.067","","","","has coordinates","235185","2020-10-21","18:00:00",""
"4036757","8.4882","0.0002","10.2664","0.0002","15.0606","0.0002","90","","90","","90","","1312.43","0.04","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0298","0.029","","","0.0781","0.0791","","","","","","1.084","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036758","8.5748","0.0003","10.793","0.0005","28.438","0.001","90","","90","","90","","2631.87","0.18","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.047","0.0449","","","0.1271","0.1281","","","","","","1.165","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036759","6.948","0.0001","18.3628","0.0003","7.7302","0.0001","90","","105.05","0.002","90","","952.43","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C40 H64 O8 -","2","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0279","0.0278","","","0.0724","0.0725","","","","","","1.054","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036760","6.0837","0.0002","14.3011","0.0004","30.2301","0.0012","90","","90","","90","","2630.13","0.15","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0401","0.0371","","","0.0935","0.0958","","","","","","1.04","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036761","5.8785","0.0002","14.9793","0.0004","24.3269","0.0008","90","","90","","90","","2142.13","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54178","CuKα","","0.0532","0.0436","","","0.1147","0.1223","","","","","","1.046","","","","has coordinates","235196","2020-10-21","18:00:00",""
"4036762","10.5693","0.0007","10.696","0.0004","19.722","0.0012","90","","131.354","0.01","90","","1673.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Br F3 -","- C19 H20 Br F3 -","- C76 H80 Br4 F12 -","4","1","","Sandzhieva, Maria A.; Kazakova, Anna N.; Boyarskaya, Irina A.; Ivanov, Alexandr Yu; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Friedel-Crafts Alkylation of Arenes with 2-Halogeno-2-CF3-styrenes under Superacidic Conditions. Access to Trifluoromethylated Ethanes and Ethenes.","The Journal of organic chemistry","2016","81","12","5032","5045","10.1021/acs.joc.6b00419","","x-ray","1.54184","CuKα","","0.0423","0.034","","","0.0829","0.0895","","","","","","1.029","","","","has coordinates,has disorder","235198","2020-10-21","18:00:00",""
"4036763","17.0506","0.0013","22.1823","0.0017","24.7831","0.0019","90","","90","","90","","9373.5","1.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4CMeCz","","","- C66 H52 N4 -","- C66 H52 N4 -","- C528 H416 N32 -","8","1","","Kuroda, Yasuhiro; Sakamoto, Youichi; Suzuki, Toshiyasu; Kayahara, Eiichi; Yamago, Shigeru","Tetracyclo(2,7-carbazole)s: Diatropicity and Paratropicity of Inner Regions of Nanohoops.","The Journal of organic chemistry","2016","81","8","3356","3363","10.1021/acs.joc.6b00425","","","0.7","synchrotron","","0.1914","0.1646","","","0.4331","0.447","","","","","","3.14","","","","has coordinates","235200","2020-10-21","18:00:00",""
"4036764","10.5666","0.0003","7.77628","0.00017","11.6785","0.0003","90","","109.491","0.003","90","","904.62","0.04","174","2","174","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br2 N2 O2 -","- C19 H16 Br2 N2 O2 -","- C38 H32 Br4 N4 O4 -","2","1","","Ding, Zong-Cang; Ju, Lu-Chuan; Yang, Ying; An, Xiao-Ming; Zhou, Yun-Bing; Li, Ren-Hao; Tang, Hai-Tao; Ding, Cheng-Ke; Zhan, Zhuang-Ping","Silver(I)-Catalyzed Tandem Sigamatropic Rearrangement/1,3-H Shift/6π Aza-electrocyclization of N-Propargylic Hydrazones: A Mild Synthetic Route to 1,6-Dihydropyridazines.","The Journal of organic chemistry","2016","81","9","3936","3941","10.1021/acs.joc.6b00428","","","1.54184","CuKα","","0.0242","0.0241","","","0.0649","0.0649","","","","","","1.098","","","","has coordinates","235202","2020-10-21","18:00:00",""
"4036765","5.5202","0.0002","13.6425","0.0005","20.1076","0.0009","107.956","0.004","91.404","0.004","90.12","0.003","1440.03","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Br O2 -","- C17 H13 Br O2 -","- C68 H52 Br4 O8 -","4","2","","Feng, Liyan; Yan, Hang; Yang, Chao; Chen, Dafa; Xia, Wujiong","Visible-Light Induced Direct Synthesis of Polysubstituted Furans from Cyclopropyl Ketones.","The Journal of organic chemistry","2016","81","16","7008","7022","10.1021/acs.joc.6b00436","","x-ray","0.71073","MoKα","","0.0874","0.0669","","","0.168","0.1843","","","","","","1.078","","","","has coordinates","235204","2020-10-21","18:00:00",""
"4036766","11.0527","0.0015","11.0527","0.0015","18.729","0.003","90","","90","","120","","1981.4","0.5","273","2","273","2","","","","","","","","4","P 3","P 3","143","","","","- C21.67 H36 Ho0 O17.67 -","- C21.6667 H36 O17.6667 -","- C65 H108 O53 -","3","1","","Maiti, Krishnagopal; Jayaraman, Narayanaswamy","Synthesis and Structure of Cyclic Trisaccharide with Expanded Glycosidic Linkages.","The Journal of organic chemistry","2016","81","11","4616","4622","10.1021/acs.joc.6b00462","","","0.71073","MoKα","","0.1307","0.1054","","","0.2822","0.301","","","","","","1.045","","","","has coordinates","235206","2020-10-21","18:00:00",""
"4036767","9.1134","0.0011","13.83","0.002","16.661","0.002","89.312","0.005","75.124","0.005","87.829","0.006","2028.1","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H36 N2 O4 -","- C56 H36 N2 O4 -","- C112 H72 N4 O8 -","2","1","","Wang, Guangxia; Xiao, Hongmei; He, Jiaojiao; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Turnstiles Regulated by Metal Ions.","The Journal of organic chemistry","2016","81","8","3364","3371","10.1021/acs.joc.6b00463","","","0.71073","MoKα","","0.0595","0.0544","","","0.1311","0.1349","","","","","","1.11","","","","has coordinates,has disorder","235208","2020-10-21","18:00:00",""
"4036768","11.094","0.002","13.316","0.003","31.782","0.006","90","","94.03","0.03","90","","4683.5","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 F12 N6 P2 -","- C51 H50 F12 N6 P2 -","- C204 H200 F48 N24 P8 -","4","1","","Sabater, Paula; Zapata, Fabiola; Caballero, Antonio; Fernández, Israel; Ramirez de Arellano, Carmen; Molina, Pedro","2,4,5-Trimethylimidazolium Scaffold for Anion Recognition Receptors Acting Through Charge-Assisted Aliphatic and Aromatic C-H Interactions.","The Journal of organic chemistry","2016","81","9","3790","3798","10.1021/acs.joc.6b00468","","","0.71073","MoKα","","0.1805","0.0674","","","0.1687","0.226","","","","","","0.941","","","","has coordinates","235210","2020-10-21","18:00:00",""
"4036769","13.361","0.008","11.884","0.009","8.306","0.007","90","","90.21","0.015","90","","1318.8","1.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","","Yamada, Ken-Ichi; Matsumoto, Yusuke; Fujii, Shintaro; Konishi, Takehito; Yamaoka, Yousuke; Takasu, Kiyosei","Striking Difference between Succinimidomethyl and Phthalimidomethyl Radicals in Conjugate Addition to Alkylidenemalonate Initiated by Dimethylzinc.","The Journal of organic chemistry","2016","81","9","3809","3817","10.1021/acs.joc.6b00485","","","1.54187","CuKα","","0.0365","0.0345","","","0.0898","0.0936","","","","","","1.111","","","","has coordinates","235212","2020-10-21","18:00:00",""
"4036770","5.88884","0.00012","12.3215","0.0003","22.2795","0.0005","90","","90","","90","","1616.59","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.037","0.0312","","","0.073","0.0755","","","","","","1.066","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036771","6.0963","0.0003","8.7014","0.0008","8.705","0.0008","66.516","0.009","73.36","0.006","87.831","0.006","404.25","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H25 Br O4 -","- C13 H25 Br O4 -","- C13 H25 Br O4 -","1","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.0619","0.0486","","","0.1152","0.122","","","","","","0.982","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036772","8.8263","0.00017","15.6858","0.0003","11.5156","0.0002","90","","106.331","0.002","90","","1529.98","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.0372","0.0315","","","0.0799","0.0835","","","","","","1.04","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036773","12.5451","0.0007","29.7417","0.0018","8.8141","0.0005","90","","90","","90","","3288.7","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 10","7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione bis(chloroform) solvate","","- C38 H22 Cl6 O2 -","- C38 H22 Cl6 O2 -","- C152 H88 Cl24 O8 -","4","0.5","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.0604","0.0482","","","0.1242","0.1326","","","","","","1.093","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036774","18.3157","0.001","18.8183","0.001","21.1243","0.0012","87.961","0.0007","69.621","0.0007","68.683","0.0007","6323.6","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Compound 13","9,9'-bis(7,14-diphenylnaphtho[2,3-k]fluoranthene-8,13-dione) bis(chloroform) solvate","","- C74 H40 Cl6 O4 -","- C74 H40 Cl6 O4 -","- C296 H160 Cl24 O16 -","4","2","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.1285","0.0689","","","0.1813","0.2191","","","","","","1.036","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036775","17.3959","0.0013","20.6614","0.0015","20.8647","0.0016","90","","110.422","0.001","90","","7027.9","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Compound 21","9,9'-bis(7,14-diphenyl-10-methoxynaphtho[2,3-k]fluoranthene-8,13-dione) tetra(benzene) solvate","","- C98 H66 O6 -","- C98 H66 O6 -","- C392 H264 O24 -","4","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.2008","0.0872","","","0.179","0.2425","","","","","","1.018","","","","has coordinates,has disorder","288542","2023-12-24","01:25:18",""
"4036776","13.7401","0.001","15.1398","0.001","15.943","0.0011","83.378","0.0009","82.646","0.001","70.891","0.0009","3098.4","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Compound 19","12,12'-epoxy-11,11'-bis(9,16-diphenylnaphtho[2,3-b]triphenylene-10,15- dione) di(toluene) solvate","","- C90 H56 O5 -","- C90 H56 O5 -","- C180 H112 O10 -","2","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","0.71073","MoKα","","0.093","0.0576","","","0.1369","0.1589","","","","","","1.023","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036777","10.679","0.0005","11.214","0.0004","21.5647","0.0009","76.755","0.003","82.687","0.003","69.701","0.003","2354.42","0.18","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Compound 23","10,11'-epoxy-9,10'-bis(7,14-diphenylnaphtho[2,3-k]fluoranthene)","","- C72 H40 O -","- C72 H40 O -","- C144 H80 O2 -","2","1","","Geng, Xin; Mague, Joel T.; Donahue, James P.; Pascal, Jr, Robert A","Hairpin Furans and Giant Biaryls.","The Journal of organic chemistry","2016","81","9","3838","3847","10.1021/acs.joc.6b00492","","","1.54178","CuKα","","0.1952","0.1219","","","0.2085","0.2332","","","","","","1.071","","","","has coordinates","235217","2020-10-21","18:00:00",""
"4036778","5.799","0.001","8.02","0.001","11.532","0.001","84.05","0.01","77.38","0.01","70.7","0.01","493.67","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","6-ethyl-5-hydroxy-1,3,5-trimethyl-dihydropyridine-2,4(1H,3H)-dione","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C18 H32 N4 O6 -","2","1","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","0.71073","MoKα","","0.0445","0.0374","","","0.0971","0.102","","","","","","1.048","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036779","9.4062","0.0004","11.7763","0.0015","11.803","0.0014","74.743","0.01","79.948","0.006","80.083","0.006","1231","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(5RS,6SR)-5-hydroxy-1,3,5-trimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","0.71073","MoKα","","0.0442","0.0373","","","0.0932","0.098","","","","","","1.045","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036780","8.21605","0.00005","15.48832","0.00009","26.12024","0.00014","90","","90","","90","","3323.87","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-1-((2R,4S,5S)-4-((tert.-butyldimethylsilyl)oxy)methyl)- tetrahydrofuran-2-yl)-5-hydroxy-3,5-dimethyl-6-phenyldihydro- pyrimidine-2,4(1H,3H)-dione","","- C29 H50 N2 O6 Si2 -","- C29 H50 N2 O6 Si2 -","- C116 H200 N8 O24 Si8 -","4","1","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0271","0.0267","","","0.0683","0.0686","","","","","","1.061","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036781","6.3869","0.0002","23.9885","0.0007","41.8744","0.0014","90","","90","","90","","6415.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-((tert-butyldimethylsilyl)oxy)-5-(((2-(trimethylsilyl)propan- 2-yl)oxy)methyl)tetrahydrofuran-2-yl)-5-hydroxy-5-methyl- 6-phenyldihydropyrimidine-2,4(1H,3H)-dione","","- C28 H48 N2 O6 Si2 -","- C28 H48 N2 O6 Si2 -","- C224 H384 N16 O48 Si16 -","8","2","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0891","0.0556","","","0.1117","0.1258","","","","","","1.026","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036782","12.218","0.015","19.59","0.02","14.05","0.017","90","","108.61","0.03","90","","3187","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Br S4 Si3 -","- C27 H31 Br S4 Si3 -","- C108 H124 Br4 S16 Si12 -","4","1","","Zhao, Xueqian; Zhang, Lipeng; Song, Jinsheng; Kan, Yuhe; Wang, Hua","Naphthotetrathiophene-Based Helicene-Like Molecules: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","11","4856","4860","10.1021/acs.joc.6b00502","","","0.71073","MoKα","","0.1623","0.0633","","","0.15","0.1774","","","","","","1.005","","","","has coordinates","235221","2020-10-21","18:00:00",""
"4036783","10.0635","0.0006","10.0635","","45.865","0.003","90","","90","","120","","4022.6","0.4","150","","150","","","","","","","","synthesis as described","5","P 61","P 61","169","","","","- C18 H42 N4 O5 Si2 -","- C18 H42 N4 O5 Si2 -","- C108 H252 N24 O30 Si12 -","6","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1087","0.0962","","","0.2371","0.2429","","","","","","1.124","","","","has coordinates,has disorder","235223","2020-10-21","18:00:00",""
"4036784","10.651","0.002","17.148","0.003","18.327","0.004","90","","90","","90","","3347.3","1.1","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 N4 O6 Si2 -","- C24 H48 N4 O6 Si2 -","- C96 H192 N16 O24 Si8 -","4","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1972","0.0716","","","0.1221","0.1672","","","","","","0.913","","","","has coordinates","235225","2020-10-21","18:00:00",""
"4036785","5.7156","0.0003","11.8755","0.0007","18.0555","0.001","90","","92.991","0.003","90","","1223.86","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Ricard, Simon; Sanapo, Gabriel F.; Rahem, Neel; Daoust, Benoit","Synthesis of γ,δ-Unsaturated α-Aminoaldehydes Using a Copper-Catalyzed Vinylation Reaction Followed by a Claisen Rearrangement.","The Journal of organic chemistry","2016","81","12","5066","5073","10.1021/acs.joc.6b00512","","","1.54178","CuKα","","0.0537","0.0471","","","0.1185","0.1232","","","","","","1.091","","","","has coordinates","235227","2020-10-21","18:00:00",""
"4036786","10.539","0.002","10.686","0.002","15.652","0.003","90","","90","","90","","1762.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Huang, Ya-Nan; Li, Yin-Long; Li, Jian; Deng, Jun","Beyond a Protecting Reagent: DMAP-Catalyzed Cyclization of Boc-Anhydride with 2-Alkenylanilines.","The Journal of organic chemistry","2016","81","11","4645","4653","10.1021/acs.joc.6b00519","","","0.71073","MoKα","","0.0689","0.0464","","","0.1078","0.1161","","","","","","1.025","","","","has coordinates","235229","2020-10-21","18:00:00",""
"4036787","13.9275","0.0004","12.9024","0.0004","19.0049","0.0006","90","","98.603","0.001","90","","3376.72","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl6 O8 -","- C32 H24 Cl6 O8 -","- C128 H96 Cl24 O32 -","4","1","","Pal, Bikash; Lin, Bo-Chao; Dela Cerna, Mark Vincent Carreon; Hsu, Chao-Ping; Lin, Chih-Hsiu","Face-to-Face Packing of 2,3,9,10-Tetrasubstituted Pentacene Derivatives Revealed through a Solid State [4 + 4] Thermal Cycloaddition and Molecular Dynamic Simulation.","The Journal of organic chemistry","2016","81","15","6223","6234","10.1021/acs.joc.6b00526","","","0.71073","MoKα","","0.125","0.0773","","","0.2264","0.2682","","","","","","1.048","","","","has coordinates","235231","2020-10-21","18:00:00",""
"4036789","10.631","0.004","7.727","0.003","12.428","0.004","90","","101.46","0.03","90","","1000.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N6 -","- C24 H26 N6 -","- C48 H52 N12 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.0874","0.0412","","","0.0428","0.0451","","","","","","0.962","","","","has coordinates","235234","2020-10-21","18:00:00",""
"4036790","8.243","0.003","9.896","0.003","11.002","0.003","67.26","0.03","70","0.03","85.92","0.03","775.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 Cl4 N6 O2 -","- C26 H46 Cl4 N6 O2 -","- C26 H46 Cl4 N6 O2 -","1","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.05","0.0371","","","0.0869","0.093","","","","","","1.044","","","","has coordinates","235234","2020-10-21","18:00:00",""
"4036791","11.81","0.004","12.323","0.005","18.403","0.008","102.45","0.04","102.42","0.03","96.33","0.03","2519.4","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H75.4 Cl6 N9 O9.2 -","- C36 H70.634 Cl6 N9 O9.201 -","- C72 H141.268 Cl12 N18 O18.402 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1122","0.0696","","","0.204","0.2174","","","","","","1.06","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036792","13.699","0.004","14.041","0.004","16.705","0.005","90","","94.07","0.03","90","","3205.1","1.6","80","2","80","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H94 Cl8 N12 O9 -","- C48 H80 Cl8 N12 O9.002 -","- C96 H160 Cl16 N24 O18.004 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1547","0.114","","","0.2515","0.2672","","","","","","1.192","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036793","12.688","0.003","12.98","0.004","20.266","0.006","78.23","0.03","83.88","0.03","66.76","0.03","3001.1","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cl8 N12 O4 -","- C48 H76 Cl8.001 N12 O4 -","- C96 H152 Cl16.002 N24 O8 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1293","0.0919","","","0.2644","0.2868","","","","","","1.083","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036794","16.114","0.005","17.239","0.005","28.561","0.009","85.55","0.03","78.76","0.03","65.28","0.03","7069","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H214 N24 O63 S8 -","- C96 H152 N24 O62.997 S7.999 -","- C192 H304 N48 O125.994 S15.998 -","2","1","","Gregoliński, Janusz; Ślepokura, Katarzyna; Paćkowski, Tomasz; Panek, Jarosław; Stefanowicz, Piotr; Lisowski, Jerzy","From 2 + 2 to 8 + 8 Condensation Products of Diamine and Dialdehyde: Giant Container-Shaped Macrocycles for Multiple Anion Binding.","The Journal of organic chemistry","2016","81","13","5285","5294","10.1021/acs.joc.6b00531","","","0.71073","MoKα","","0.1742","0.0855","","","0.2115","0.2352","","","","","","1.003","","","","has coordinates,has disorder","235234","2020-10-21","18:00:00",""
"4036795","6.8209","0.0001","17.0464","0.0003","21.4158","0.0004","90","","90","","90","","2490.05","0.07","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Br N O3 -","- C29 H34 Br N O3 -","- C116 H136 Br4 N4 O12 -","4","1","","Bedford, Robin B.; Brenner, Peter B.; Durrant, Steven J.; Gallagher, Timothy; Méndez-Gálvez, Carolina; Montgomery, Michelle","Palladium-Catalyzed Ortho-Arylation of Carbamate-Protected Estrogens.","The Journal of organic chemistry","2016","81","9","3473","3478","10.1021/acs.joc.6b00532","","","0.71073","MoKα","","0.0316","0.0268","","","0.062","0.0635","","","","","","1.0345","","","","has coordinates","235237","2020-10-21","18:00:00",""
"4036796","7.653","0.002","10.942","0.003","15.068","0.006","90","","90","","90","","1261.8","0.7","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 S -","- C16 H16 S -","- C64 H64 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0665","0.0582","","","0.1472","0.1558","","","","","","1.087","","","","has coordinates","235239","2020-10-21","18:00:00",""
"4036797","11.024","0.001","11.6615","0.001","19.3697","0.0016","90","","90","","90","","2490.1","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0404","0.0324","","","0.0785","0.0825","","","","","","1.057","","","","has coordinates","235241","2020-10-21","18:00:00",""
"4036798","15.573","0.0007","8.1725","0.0003","17.7139","0.0008","90","","101.95","0.002","90","","2205.6","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","acetonitrile, 3-((4-(methoxycarbonyl)phenyl)ethynyl)- 1-methylquinolin-1-ium salt","","- C22 H19 F6 N2 O2 P -","- C22 H19 F6 N2 O2 P -","- C88 H76 F24 N8 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","0.71073","MoKα","","0.0369","0.0322","","","0.086","0.0893","","","","","","1.051","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036799","13.8445","0.0005","8.2667","0.0003","17.2086","0.0006","90","","106.117","0.001","90","","1892.09","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-((2-(methoxycarbonyl)phenyl)ethynyl)-1-methylquinolin-1-ium hexafluorophosphate(V)","","- C20 H16 F6 N O2 P -","- C20 H16 F6 N O2 P -","- C80 H64 F24 N4 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","1.54178","CuKα","","0.037","0.033","","","0.0857","0.0887","","","","","","1.063","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036800","13.8271","0.0008","8.2406","0.0005","17.2704","0.0009","90","","106.37","0.002","90","","1888.08","0.19","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-((2-((methoxy-d3)carbonyl)phenyl)ethynyl)-1-methylquinolin-1-ium hexafluorophosphate(V)","","- C20 H13 D3 F6 N O2 P -","- C20 H13 D3 F6 N O2 P -","- C80 H52 D12 F24 N4 O8 P4 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","0.71073","MoKα","","0.0542","0.0384","","","0.0813","0.0878","","","","","","1.039","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036801","10.2551","0.0004","6.3701","0.0002","22.6746","0.0008","90","","102.474","0.002","90","","1446.28","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-hydroxy-1-oxo-1H-inden-2-yl)-1-methylquinolin-1-ium chloride","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Schmidt, Andreas; Batsyts, Sviatoslav; Smeyanov, Alexey; Freese, Tyll; Hübner, Eike G; Nieger, Martin","Dipolar Bent and Linear Acetylenes Substituted by Cationic Quinolinium and Anionic Benzoates. Formation of Mesomeric Betaines.","The Journal of organic chemistry","2016","81","10","4202","4209","10.1021/acs.joc.6b00561","","","1.54178","CuKα","","0.0519","0.0489","","","0.1423","0.1449","","","","","","1.09","","","","has coordinates","235244","2020-10-21","18:00:00",""
"4036802","11.1637","0.0009","7.8135","0.0006","12.2928","0.0009","90","","107.143","0.004","90","","1024.63","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H35 N O3 Si -","- C18 H35 N O3 Si -","- C36 H70 N2 O6 Si2 -","2","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.0618","0.0566","","","0.1347","0.1407","","","","","","1.041","","","","has coordinates","235246","2020-10-21","18:00:00",""
"4036803","7.0168","0.0016","11.99","0.003","22.723","0.006","90","","90","","90","","1911.7","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 Si -","- C17 H29 N O4 Si -","- C68 H116 N4 O16 Si4 -","4","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.1381","0.088","","","0.206","0.2481","","","","","","1.039","","","","has coordinates","235247","2020-10-21","18:00:00",""
"4036804","34.2","0.2","11.86","0.08","6.9","0.05","90","","90","","90","","2799","3","173","","173","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C25 H28 O2 P2 S6 -","- C25 H28 O2 P2 S6 -","- C100 H112 O8 P8 S24 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.0708","0.0387","","","0.058","0.0648","","","","","","0.935","","","","has coordinates","235249","2020-10-21","18:00:00",""
"4036805","18.848","0.005","12.694","0.003","16.584","0.005","90","","95.752","0.008","90","","3947.9","1.8","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Cl2 Fe2 P2 S6 -","- C37 H36 Cl2 Fe2 P2 S6 -","- C148 H144 Cl8 Fe8 P8 S24 -","4","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.105","0.0732","","","0.1253","0.1378","","","","","","1.134","","","","has coordinates","235250","2020-10-21","18:00:00",""
"4036806","7.515","0.006","22.102","0.013","10.965","0.008","90","","92.82","0.02","90","","1819","2","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Fe2 P2 S6 -","- C36 H34 Fe2 P2 S6 -","- C72 H68 Fe4 P4 S12 -","2","0.5","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","","0.0934","","","","0.1715","","","","","","1.239","","","","has coordinates","235252","2020-10-21","18:00:00",""
"4036807","8.73","0.05","13.73","0.07","15.62","0.08","79","3","75","3","78","3","1750","3","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 Cl2 Fe2 N2 P2 S7 -","- C31 H28 Cl2 Fe2 N2 P2 S7 -","- C62 H56 Cl4 Fe4 N4 P4 S14 -","2","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.0982","0.0507","","","0.0954","0.1129","","","","","","0.989","","","","has coordinates","235254","2020-10-21","18:00:00",""
"4036808","8.3619","0.0013","16.044","0.003","24.922","0.004","93.773","0.014","99.581","0.012","102.67","0.012","3198.3","1","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 O2 P2 S6 -","- C30 H30 O2 P2 S6 -","- C120 H120 O8 P8 S24 -","4","2","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.1595","0.106","","","0.2399","0.3003","","","","","","1.125","","","","has coordinates","235255","2020-10-21","18:00:00",""
"4036809","23.798","0.003","7.4405","0.0009","37.885","0.003","90","","90.297","0.008","90","","6708.2","1.3","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H34 Fe2 P2 S6 -","- C32 H34 Fe2 P2 S6 -","- C256 H272 Fe16 P16 S48 -","8","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","","0.0697","","","","0.1735","","","","","","1.051","","","","has coordinates","235257","2020-10-21","18:00:00",""
"4036810","7.47","0.04","12.42","0.07","17.85","0.11","101","4","94","4","99","4","1597","4","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Fe2 P2 S6 -","- C31 H32 Fe2 P2 S6 -","- C62 H64 Fe4 P4 S12 -","2","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.1686","0.0799","","","0.1303","0.1613","","","","","","1.027","","","","has coordinates","235259","2020-10-21","18:00:00",""
"4036811","20.582","0.004","6.5265","0.0013","17.616","0.004","90","","90.763","0.003","90","","2366.1","0.8","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O Si -","- C29 H28 O Si -","- C116 H112 O4 Si4 -","4","1","","Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko","Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.","The Journal of organic chemistry","2016","81","8","3065","3069","10.1021/acs.joc.6b00587","","","0.71075","MoKα","","0.0604","0.0582","","","0.1423","0.1436","","","","","","1.138","","","","has coordinates","235261","2020-10-21","18:00:00",""
"4036812","11.793","0.006","5.631","0.003","13.738","0.006","90","","104.854","0.005","90","","881.8","0.8","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 Br -","- C24 H17 Br -","- C48 H34 Br2 -","2","1","","Shintani, Ryo; Kurata, Hiroki; Nozaki, Kyoko","Intermolecular Three-Component Arylsilylation of Alkynes under Palladium/Copper Cooperative Catalysis.","The Journal of organic chemistry","2016","81","8","3065","3069","10.1021/acs.joc.6b00587","","","0.71075","MoKα","","0.0501","0.0438","","","0.0951","0.1014","","","","","","1.049","","","","has coordinates","235263","2020-10-21","18:00:00",""
"4036813","9.467","0.0001","9.0299","0.0001","13.0503","0.0002","90","","110.756","0.001","90","","1043.21","0.02","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C50 H50 N2 O10 -","2","1","","Yang, Xue; Zhang, Yu-Chen; Zhu, Qiu-Ning; Tu, Man-Su; Shi, Feng","Diastereo- and Enantioselective Construction of the Hexahydrocoumarin Scaffold via an Organocatalytic Asymmetric [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","12","5056","5065","10.1021/acs.joc.6b00603","","","1.54178","CuKα","","0.0337","0.0328","","","0.0788","0.0796","","","","","","1.035","","","","has coordinates","235265","2020-10-21","18:00:00",""
"4036814","7.0745","0.0002","7.2465","0.0002","10.1757","0.0003","76.6471","0.0012","71.3133","0.0014","68.9809","0.0013","457.29","0.02","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N5 O2 -","- C8 H7 N5 O2 -","- C16 H14 N10 O4 -","2","1","","Imai, Taro; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 5-Aryl-2-Alkyltetrazoles with Aromatic Aldehydes, Alkylhydrazine, Di-tert-butyl Azodicarboxylate, and [Bis(trifluoroacetoxy)iodo]benzene.","The Journal of organic chemistry","2016","81","9","3975","3980","10.1021/acs.joc.6b00606","","","1.54178","CuKα","","0.0345","0.0335","","","0.0929","0.0938","","","","","","1.035","","","","has coordinates","235267","2020-10-21","18:00:00",""
"4036815","12.49463","0.00006","6.03595","0.00005","12.70711","0.00006","90","","99.5432","0.0005","90","","945.069","0.01","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 Br O4 -","- C22 H17 Br O4 -","- C44 H34 Br2 O8 -","2","1","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","1.54184","CuKα","","0.0261","0.026","","","0.0684","0.0684","","","","","","1.076","","","","has coordinates","235269","2020-10-21","18:00:00",""
"4036816","8.9516","0.0007","10.8253","0.0008","27.1895","0.0019","90","","90","","90","","2634.8","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","2","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","0.71073","MoKα","","0.0853","0.0465","","","0.079","0.0918","","","","","","0.991","","","","has coordinates","235271","2020-10-21","18:00:00",""
"4036817","10.717","0.003","11.387","0.004","17.576","0.005","84.285","0.011","76.475","0.001","83.963","0.012","2067.6","1.1","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","2","","Dighe, Shashikant U.; Mahar, Rohit; Shukla, Sanjeev K.; Kant, Ruchir; Srivastava, Kumkum; Batra, Sanjay","Synthesis of S-(-)-5,6-Dihydrocanthin-4-ones via a Triple Cooperative Catalysis-Mediated Domino Reaction.","The Journal of organic chemistry","2016","81","11","4751","4761","10.1021/acs.joc.6b00613","","","0.71075","MoKα","","0.063","0.0503","","","0.1277","0.1378","","","","","","1.069","","","","has coordinates","235273","2020-10-21","18:00:00",""
"4036818","10.1097","0.0007","37.046","0.003","12.8847","0.0009","90","","91.85","0.003","90","","4823.1","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H46 F3 N2 O10 -","- C45 H46 F3 N2 O10 -","- C180 H184 F12 N8 O40 -","4","2","","Hu, Wei-Bo; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A1/A2-Diamino-Substituted Pillar[5]arene-Based Acid-Base-Responsive Host-Guest System.","The Journal of organic chemistry","2016","81","9","3877","3881","10.1021/acs.joc.6b00617","","","0.71073","MoKα","","0.1604","0.1095","","","0.2936","0.3266","","","","","","1.031","","","","has coordinates","235275","2020-10-21","18:00:00",""
"4036819","14.289","0.003","15.287","0.003","15.562","0.003","61.452","0.002","88.618","0.003","80.588","0.003","2940.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Br N4 O -","- C18 H23 Br N4 O -","- C108 H138 Br6 N24 O6 -","6","3","","Tamaki, Airi; Kojima, Satoshi; Yamamoto, Yohsuke","Examination of Pyridazine as a Possible Scaffold for Nucleophilic Catalysis.","The Journal of organic chemistry","2016","81","19","8710","8721","10.1021/acs.joc.6b00630","","","0.71073","MoKα","","0.1343","0.0709","","","0.1692","0.2018","","","","","","1.04","","","","has coordinates,has disorder","235278","2020-10-21","18:00:00",""
"4036820","7.2339","0.0002","13.8782","0.0005","17.753","0.0006","90","","90","","90","","1782.29","0.1","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.0377","0.0375","","","0.0968","0.097","","","","","","1.181","","","","has coordinates","235281","2020-10-21","18:00:00",""
"4036821","5.5592","0.0014","11.717","0.003","26.483","0.007","90","","90","","90","","1725","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.1597","0.0688","","","0.1306","0.166","","","","","","0.993","","","","has coordinates","235283","2020-10-21","18:00:00",""
"4036822","10.8965","0.0005","11.6817","0.0006","16.411","0.0008","90","","90","","90","","2088.95","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 I N O -","- C23 H36 I N O -","- C92 H144 I4 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.54178","CuKα","","0.0188","0.0188","","","0.0505","0.0505","","","","","","1.106","","","","has coordinates","235285","2020-10-21","18:00:00",""
"4036823","9.149","0.005","10.448","0.006","12.712","0.008","80.924","0.013","71.346","0.011","89.687","0.013","1135.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N5 O3 S -","- C25 H21 N5 O3 S -","- C50 H42 N10 O6 S2 -","2","1","","Zhao, Yingying; Hu, Yancheng; Wang, Haolong; Li, Xincheng; Wan, Boshun","Transition-Metal Controlled Diastereodivergent Radical Cyclization/Azidation Cascade of 1,7-Enynes.","The Journal of organic chemistry","2016","81","10","4412","4420","10.1021/acs.joc.6b00655","","","0.71073","MoKα","","0.0616","0.0483","","","0.1241","0.1346","","","","","","1.026","","","","has coordinates","235287","2020-10-21","18:00:00",""
"4036824","7.641","0.009","9.967","0.012","10.058","0.013","87.78","0.02","80.78","0.02","67.547","0.018","698.6","1.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Li, Yue; Yang, Wen; Cheng, Guo; Yang, Dingqiao","Palladium-Catalyzed syn-Stereocontrolled Ring-Opening of Oxabicyclic Alkenes with Sodium Arylsulfinates.","The Journal of organic chemistry","2016","81","11","4744","4750","10.1021/acs.joc.6b00667","","","0.71073","MoKα","","0.0566","0.0452","","","0.1151","0.1273","","","","","","1.025","","","","has coordinates","235289","2020-10-21","18:00:00",""
"4036825","9.995","0.002","19.045","0.004","11.123","0.002","90","","98.823","0.01","90","","2092.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-((3R*,4R*)-2,2-bis(4-methoxyphenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0917","0.0446","","","0.0922","0.1017","","","","","","0.999","","","","has coordinates","235291","2020-10-21","18:00:00",""
"4036826","26.963","0.004","6.5609","0.0011","21.337","0.003","90","","128.177","0.005","90","","2967.2","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5R*,6S*)-6-((S*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1235","0.0463","","","0.0706","0.0808","","","","","","0.954","","","","has coordinates","235293","2020-10-21","18:00:00",""
"4036827","7.3998","0.0004","14.527","0.0009","13.1607","0.0006","90","","98.039","0.003","90","","1400.83","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R*)-6-((S*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0719","0.0446","","","0.1153","0.1236","","","","","","1.044","","","","has coordinates","235295","2020-10-21","18:00:00",""
"4036828","7.376","0.016","14.89","0.05","27.34","0.07","90.6","0.2","90.06","0.19","91.6","0.2","3001","14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(5R*,6S*)-6-((R*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","4","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.2036","0.0948","","","0.2255","0.2965","","","","","","1.006","","","","has coordinates","235297","2020-10-21","18:00:00",""
"4036829","19.618","0.011","12.402","0.01","16.883","0.011","90","","93.92","0.03","90","","4098","5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5R*,6R*)-6-(bis(4-methoxyphenyl)methyl)-1,3,5-trimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C176 H208 N16 O40 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.2158","0.0681","","","0.0657","0.0757","","","","","","0.996","","","","has coordinates","235299","2020-10-21","18:00:00",""
"4036830","7.7341","0.0005","10.8737","0.0007","21.0422","0.0013","90","","92.26","0.003","90","","1768.24","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)- 1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1248","0.0503","","","0.0712","0.0823","","","","","","1.021","","","","has coordinates","235301","2020-10-21","18:00:00",""
"4036831","12.085","0.002","9.5194","0.0019","15.284","0.003","90","","97.812","0.007","90","","1742","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R*)-2-fluoro-N-methyl-2-((S*)-3-methyl-2-oxo-5,5- diphenyloxazolidin-4-yl)acetamide","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0595","0.04","","","0.1113","0.1172","","","","","","1.074","","","","has coordinates","235302","2020-10-21","18:00:00",""
"4036832","15.998","0.003","11.382","0.002","9.0299","0.0011","90","","90","","90","","1644.2","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(5R*,6R*)-6-((R*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H20 N2 O3 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0748","0.0426","","","0.061","0.065","","","","","","1.026","","","","has coordinates","235304","2020-10-21","18:00:00",""
"4036833","7.647","0.002","16.049","0.005","14.91","0.004","90","","88.69","0.03","90","","1829.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-N-methyl-2-(3'-methyl-2'-oxo-10,11-dihydrospiro[dibenzo [a,d][7]annulene-5,5'-oxazolidin]-4'-yl)acetamide","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0671","0.0431","","","0.0959","0.1036","","","","","","1.034","","","","has coordinates","235306","2020-10-21","18:00:00",""
"4036834","14.3115","0.0014","13.1849","0.0011","14.2329","0.0015","90","","39.707","0.003","90","","1715.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R*)-2-fluoro-N-methyl-2-((R*)-3-methyl-2-oxo-5,5-diphenyloxazolidin-4-yl)acetamide","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1075","0.0422","","","0.0712","0.0794","","","","","","1.01","","","","has coordinates","235307","2020-10-21","18:00:00",""
"4036835","23.225","0.011","7.409","0.003","23.144","0.01","90","","31.787","0.01","90","","2097.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(methoxybis(4-methoxyphenyl)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.161","0.0537","","","0.0702","0.0823","","","","","","0.999","","","","has coordinates","235309","2020-10-21","18:00:00",""
"4036836","23.5","0.006","7.618","0.0019","15.349","0.003","90","","101.27","0.01","90","","2694.8","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(1H-inden-3-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C15 H16 N2 O2 -","- C15 H16 N2 O2.5 -","- C120 H128 N16 O20 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0947","0.0527","","","0.1419","0.1552","","","","","","1.029","","","","has coordinates","235311","2020-10-21","18:00:00",""
"4036837","10.726","0.003","10.742","0.004","15.068","0.006","87.493","0.013","69.693","0.015","65.249","0.011","1468.1","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(5R*,6S*)-6-(3,4-dihydronaphthalen-1-yl)-5-fluoro-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H17 F N2 O2 -","- C16 H17 F N2 O2 -","- C64 H68 F4 N8 O8 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1551","0.0475","","","0.0663","0.0759","","","","","","0.979","","","","has coordinates","235313","2020-10-21","18:00:00",""
"4036838","16.476","0.003","14.05","0.002","19.613","0.004","90","","90","","90","","4540.2","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-6-(diphenyl((trimethylsilyl)oxy)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H30 N2 O3 Si -","- C23 H30 N2 O3 Si -","- C184 H240 N16 O24 Si8 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1349","0.0592","","","0.0562","0.0641","","","","","","1.007","","","","has coordinates","235314","2020-10-21","18:00:00",""
"4036839","23.813","0.002","10.0379","0.0012","23.641","0.002","90","","19.1869","0.0014","90","","1857.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0952","0.0471","","","0.0963","0.1085","","","","","","0.993","","","","has coordinates","235316","2020-10-21","18:00:00",""
"4036840","8.9757","0.0014","10.4492","0.0012","18.317","0.003","90","","94.339","0.004","90","","1713","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0696","0.0389","","","0.0871","0.0937","","","","","","1.012","","","","has coordinates","235318","2020-10-21","18:00:00",""
"4036841","10.32","0.03","10.32","0.03","18.06","0.05","90","","90","","90","","1923","10","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","1-((3S,4S)-2,2-bis(4-fluorophenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1197","0.0502","","","0.0751","0.0838","","","","","","0.998","","","","has coordinates","235320","2020-10-21","18:00:00",""
"4036842","10.7362","0.0016","16.569","0.003","20.68","0.003","90","","90","","90","","3678.7","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R*)-N-methyl-2-((S*)-3-methyl-2-oxo-5,5-diphenyloxazolidin-4-yl)propanamide","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1908","0.0382","","","0.0419","0.0542","","","","","","0.717","","","","has coordinates","235322","2020-10-21","18:00:00",""
"4036843","8.26","0.004","18.897","0.006","12.043","0.005","90","","95.106","0.016","90","","1872.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5R*,6S*)-6-(hydroxydiphenylmethyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1107","0.0678","","","0.1899","0.2089","","","","","","0.993","","","","has coordinates","235323","2020-10-21","18:00:00",""
"4036844","8.1369","0.0008","10.1728","0.001","13.7021","0.0012","84.082","0.004","87.926","0.005","77.438","0.004","1101.03","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1,3-dimethyl-6-(9-((trimethylsilyl)oxy)-9H-xanthen-9-yl)dihydropyrimidine-2,4(1H,3H)-dione","","- C22 H26 N2 O4 Si -","- C22 H26 N2 O4 Si -","- C44 H52 N4 O8 Si2 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0857","0.0451","","","0.0955","0.1031","","","","","","1.023","","","","has coordinates","235324","2020-10-21","18:00:00",""
"4036845","19.517","0.012","8.28","0.005","27.462","0.016","90","","99.85","0.03","90","","4372","5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(5,5-bis(4-methoxyphenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C168 H192 N16 O40 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1466","0.0964","","","0.2723","0.3028","","","","","","1.02","","","","has coordinates","235325","2020-10-21","18:00:00",""
"4036846","11.4069","0.0014","15.9194","0.0016","19.673","0.002","90","","94.737","0.005","90","","3560.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3-dimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C152 H144 F16 N16 O24 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1622","0.0512","","","0.0733","0.0853","","","","","","1.014","","","","has coordinates","235327","2020-10-21","18:00:00",""
"4036847","8.394","0.003","24.341","0.007","9.028","0.003","90","","84.55","0.03","90","","1836.2","1","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(R*)-2-((S*)-5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-2- fluoro-N-methylacetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0687","0.0495","","","0.121","0.1295","","","","","","1.059","","","","has coordinates","235329","2020-10-21","18:00:00",""
"4036848","8.674","0.003","13.967","0.007","14.666","0.008","90","","91.24","0.04","90","","1776.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6S*)-5-fluoro-6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7] annulen-5-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1198","0.0519","","","0.1117","0.1333","","","","","","0.945","","","","has coordinates","235330","2020-10-21","18:00:00",""
"4036849","11.0598","0.0009","11.3192","0.001","15.686","0.0018","84.975","0.003","79.047","0.004","72.569","0.004","1838.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-methyl-2-(3'-methyl-2'-oxospiro[dibenzo[a,d][7]annulene-5,5'-oxazolidin]- 4'-yl)acetamide","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1373","0.0441","","","0.0618","0.07","","","","","","1.011","","","","has coordinates","235332","2020-10-21","18:00:00",""
"4036850","17.993","0.002","8.4777","0.0009","19.7049","0.0018","90","","90","","90","","3005.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-5-fluoro-6-((S*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H19 F N2 O3 -","- C16 H19 F N2 O3 -","- C128 H152 F8 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.084","0.045","","","0.073","0.0797","","","","","","0.997","","","","has coordinates","235333","2020-10-21","18:00:00",""
"4036851","10.753","0.013","6.215","0.007","20.39","0.03","90","","102.38","0.05","90","","1331","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R*,6S*)-5-fluoro-6-(1H-inden-3-yl)-1,3-dimethyldihydropyrimidine- 2,4(1H,3H)-dione","","- C15 H15 F N2 O2 -","- C15 H15 F N2 O2 -","- C60 H60 F4 N8 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0825","0.0427","","","0.0963","0.106","","","","","","1.003","","","","has coordinates","235335","2020-10-21","18:00:00",""
"4036852","7.1916","0.0006","10.6894","0.0008","11.9335","0.0009","74.19","0.001","84.968","0.002","89.976","0.002","879","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 O S -","- C24 H16 O S -","- C48 H32 O2 S2 -","2","1","","Wu, Ya-Nan; Fu, Rong; Wang, Nan-Nan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Catalytic Sulfur-Enabled Dehydrobicyclization of 1,6-Enynes toward Arylated Indeno[1,2-c]thiophenes.","The Journal of organic chemistry","2016","81","11","4762","4770","10.1021/acs.joc.6b00692","","","0.71073","MoKα","","0.1183","0.0602","","","0.1002","0.1119","","","","","","1.073","","","","has coordinates","235337","2020-10-21","18:00:00",""
"4036853","12.5422","0.0005","15.4562","0.0006","16.4857","0.0006","90","","90","","90","","3195.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N O3 -","- C19 H20.5 N O3 -","- C152 H164 N8 O24 -","8","2","","Markad, Shivaji B.; Argade, Narshinha P.","Biomimetic Collective Total Synthesis of Bioactive Carbazole Alkaloids Indizoline, Mafaicheenamine A, Claulamine A, Claulansine A, and the Proposed Claulamine E.","The Journal of organic chemistry","2016","81","12","5222","5227","10.1021/acs.joc.6b00702","","","0.71073","MoKα","","0.1064","0.0863","","","0.2109","0.229","","","","","","1.033","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4036854","9.3985","0.0019","9.9","0.002","10.611","0.002","76.87","0.03","83.63","0.03","74","0.03","923","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Cl2 N O2 S -","- C18 H19 Cl2 N O2 S -","- C36 H38 Cl4 N2 O4 S2 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0939","0.0452","","","0.0933","0.1064","","","","","","1.013","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036855","6.4043","0.0013","7.3316","0.0015","19.67","0.004","92.49","0.03","92.8","0.03","91.6","0.03","921.2","0.3","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Br N2 O4 S -","- C18 H19 Br N2 O4 S -","- C36 H38 Br2 N4 O8 S2 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0996","0.0785","","","0.2315","0.2674","","","","","","1.048","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036856","14.265","0.003","13.867","0.003","9.5232","0.0019","90","","90","","90","","1883.8","0.7","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H26 I N O2 S -","- C17 H26 I N O2 S -","- C68 H104 I4 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.047","0.0394","","","0.0918","0.0974","","","","","","1.081","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036857","12.814","0.003","9.4243","0.0019","14.152","0.003","90","","95.24","0.03","90","","1701.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O2 S -","- C18 H19 F2 N O2 S -","- C72 H76 F8 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0527","0.0423","","","0.1124","0.1196","","","","","","1.071","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036858","6.903","0.002","8.862","0.003","9.524","0.003","74.756","0.017","84.1","0.02","82.37","0.02","555.7","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C22 H24 Cl2 N2 O6 -","2","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.0521","0.049","","","0.1665","0.1737","","","","","","1.072","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036859","10.351","0.003","7.7827","0.0018","11.328","0.003","90","","103.741","0.003","90","","886.5","0.4","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Jarhad, Dnyandev B.; Singh, Vishwakarma","π(4)s + π(2)s Cycloaddition of Spiroepoxycyclohexa-2,4-dienone, Radical Cyclization, and Oxidation-Aldol-Oxidation Cascade: Synthesis of BCDE Ring of Atropurpuran.","The Journal of organic chemistry","2016","81","10","4304","4309","10.1021/acs.joc.6b00728","","","0.7107","MoKα","","","0.0418","","","","0.1222","","","","","","0.678","","","","has coordinates","235343","2020-10-21","18:00:00",""
"4036860","7.675","0.0003","10.0757","0.0004","12.4531","0.0005","87.781","0.003","84.683","0.003","82.145","0.003","949.54","0.07","179.98","0.1","179.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C44 H50 N2 O8 -","2","1","","Kenny, Miles; Kitson, Daniel J.; Franckevičius, Vilius","Catalytic Chemo- and Regioselective Coupling of 1,3-Dicarbonyls with N-Heterocyclic Nucleophiles.","The Journal of organic chemistry","2016","81","12","5162","5172","10.1021/acs.joc.6b00731","","x-ray","1.54184","CuKα","","0.0433","0.0416","","","0.1085","0.1101","","","","","","1.048","","","","has coordinates,has disorder","235345","2020-10-21","18:00:00",""
"4036861","6.752","0.0002","8.3609","0.0002","13.8172","0.0003","85.356","0.002","85.858","0.002","80.981","0.002","766.44","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Kenny, Miles; Kitson, Daniel J.; Franckevičius, Vilius","Catalytic Chemo- and Regioselective Coupling of 1,3-Dicarbonyls with N-Heterocyclic Nucleophiles.","The Journal of organic chemistry","2016","81","12","5162","5172","10.1021/acs.joc.6b00731","","x-ray","1.54184","CuKα","","0.0343","0.0332","","","0.0853","0.0861","","","","","","1.037","","","","has coordinates","235346","2020-10-21","18:00:00",""
"4036862","17.4991","0.0009","14.1069","0.0006","17.6306","0.0008","90","","90","","90","","4352.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C216 H184 N8 O24 -","8","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.1038","0.0529","","","0.1239","0.1623","","","","","","1.042","","","","has coordinates","235348","2020-10-21","18:00:00",""
"4036863","10.3383","0.0005","20.1446","0.0009","10.3452","0.0005","90","","111.134","0.002","90","","2009.59","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C104 H72 O16 -","4","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.0933","0.0467","","","0.1082","0.1318","","","","","","1.001","","","","has coordinates","235350","2020-10-21","18:00:00",""
"4036864","10.715","0.002","25.322","0.005","17.325","0.003","90","","98.73","0.03","90","","4646.2","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 S2 -","- C27 H21 N O2 S2 -","- C216 H168 N8 O16 S16 -","8","2","","Ziyaei Halimehjani, Azim; Khoshdoun, Maryam","Tandem Esterification/1,4-Addition-Type Friedel-Crafts Alkylation Reactions of Phenols/Naphthols with Olefinic Thioazlactones: Access to Functionalized 1,2-Dihydrobenzo[f]chromen-3-ones and 3,4-Dihydrochromen-2-ones.","The Journal of organic chemistry","2016","81","13","5699","5704","10.1021/acs.joc.6b00740","","","0.71073","MoKα","","0.3016","0.0412","","","0.058","0.1085","","","","","","0.436","","","","has coordinates","235352","2020-10-21","18:00:00",""
"4036865","9.0244","0.0003","9.8981","0.0003","15.4496","0.0005","86.259","0.006","75.911","0.005","80.033","0.006","1317.93","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C68 H66 N2 O4 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0591","0.0542","","","0.1391","0.1431","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036866","14.7141","0.0005","17.5011","0.0006","10.6302","0.0003","90","","97.552","0.007","90","","2713.67","0.16","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C136 H132 N4 O8 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.1026","0.0561","","","0.1027","0.117","","","","","","1.019","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036867","11.4987","0.0002","18.6651","0.0003","9.82023","0.00018","90","","104.667","0.0007","90","","2038.98","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0577","0.0465","","","0.118","0.124","","","","","","1.1","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036868","11.3779","0.0002","12.698","0.0002","15.0931","0.0003","90","","92.272","0.007","90","","2178.89","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0429","0.0366","","","0.0881","0.0914","","","","","","1.034","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036869","8.31353","0.00015","15.2799","0.0003","16.3755","0.0003","90","","102.153","0.007","90","","2033.56","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0432","0.0372","","","0.0898","0.0928","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036870","10.2498","0.0003","11.1701","0.0003","12.3055","0.0003","110.329","0.0008","106.576","0.0008","94.1935","0.0008","1242.75","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N2 O5 -","- C29 H28 N2 O5 -","- C58 H56 N4 O10 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0403","0.0362","","","0.0942","0.0971","","","","","","1.074","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036871","10.51957","0.00019","10.61682","0.00019","11.9118","0.0002","72.9557","0.0007","71.8991","0.0007","66.7618","0.0007","1139.57","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C52 H54 N2 O12 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0388","0.0351","","","0.0902","0.0946","","","","","","1.093","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036872","9.28844","0.00017","9.16769","0.00017","24.8234","0.0005","90","","99.04","0.007","90","","2087.54","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0575","0.0527","","","0.133","0.1363","","","","","","1.021","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036873","9.51596","0.00017","10.64683","0.00019","11.5346","0.0002","78.85","0.006","83.687","0.006","71.797","0.005","1087.65","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0396","0.0361","","","0.0895","0.0917","","","","","","1.022","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036874","9.58019","0.00017","13.2112","0.0002","19.0309","0.0004","90","","90","","90","","2408.66","0.08","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 O -","- C31 H23 N3 O -","- C124 H92 N12 O4 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0306","0.0289","","","0.0701","0.0709","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036875","11.6225","0.0003","13.6984","0.0003","15.3427","0.0004","90","","102.966","0.007","90","","2380.43","0.12","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0846","0.0698","","","0.1581","0.1659","","","","","","1.093","","","","has coordinates,has disorder","235355","2020-10-21","18:00:00",""
"4036876","24.3312","0.0004","9.41875","0.00017","21.1358","0.0004","90","","116.324","0.0007","90","","4341.39","0.14","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","2","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0471","0.0383","","","0.09","0.0943","","","","","","1.063","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036877","22.5932","0.0004","9.89595","0.00019","9.79336","0.00018","90","","90","","90","","2189.61","0.07","123","","123","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0323","0.0295","","","0.0721","0.0737","","","","","","1.076","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036878","11.3435","0.0003","15.0588","0.0005","20.0689","0.0006","105.66","0.001","100.493","0.001","99.598","0.001","3160.2","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","- C111.3 H139.9 N8 O58.5 S4.65 -","1","1","","Lichosyt, Dawid; Wasiłek, Sylwia; Jurczak, Janusz","Exploring the Chiral Recognition of Carboxylates by C2-Symmetric Receptors Bearing Glucosamine Pendant Arms.","The Journal of organic chemistry","2016","81","17","7342","7348","10.1021/acs.joc.6b00763","","","1.54178","CuKα","","0.0432","0.0417","","","0.1099","0.1114","","","","","","1.041","","","","has coordinates,has disorder","235357","2020-10-21","18:00:00",""
"4036879","14.8093","0.0006","15.1888","0.0008","15.3003","0.0005","112.578","0.004","103.373","0.003","110.69","0.004","2691.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 K2 N2 O17 -","- C52 H58 K2 N2 O17 -","- C104 H116 K4 N4 O34 -","2","1","","Krivec, Marko; Perdih, Franc; Košmrlj, Janez; Kočevar, Marijan","Regioselective Hydrolysis and Transesterification of Dimethyl 3-Benzamidophthalates Assisted by a Neighboring Amide Group.","The Journal of organic chemistry","2016","81","13","5732","5739","10.1021/acs.joc.6b00765","","","0.71073","MoKα","","0.0861","0.0539","","","0.1379","0.1633","","","","","","1.036","","","","has coordinates","235358","2020-10-21","18:00:00",""
"4036880","9.71","0.01","5.98","0.004","24.309","0.015","90","","92.459","0.016","90","","1410.2","1.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C; López, Carlos; Ballester, Pablo; Rotger, Carmen; Costa, Antonio","Macrocyclic Tetraimines: Synthesis and Reversible Uptake of Diethyl Phthalate by a Porous Macrocycle.","The Journal of organic chemistry","2016","81","12","5173","5180","10.1021/acs.joc.6b00768","","","0.7107","MoKα","","0.1611","0.084","","","0.194","0.2341","","","","","","0.849","","","","has coordinates","235359","2020-10-21","18:00:00",""
"4036881","10.9226","0.0008","10.4233","0.0009","20.7193","0.0017","90","","97.876","0.003","90","","2336.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 N4 -","- C60 H60 N4 -","- C120 H120 N8 -","2","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C; López, Carlos; Ballester, Pablo; Rotger, Carmen; Costa, Antonio","Macrocyclic Tetraimines: Synthesis and Reversible Uptake of Diethyl Phthalate by a Porous Macrocycle.","The Journal of organic chemistry","2016","81","12","5173","5180","10.1021/acs.joc.6b00768","","","0.71073","MoKα","","0.1278","0.0674","","","0.1751","0.2043","","","","","","1.052","","","","has coordinates","235360","2020-10-21","18:00:00",""
"4036882","10.7852","0.0003","13.2851","0.0004","28.0787","0.0008","103.104","0.003","90.658","0.002","103.73","0.003","3797.4","0.2","99.9","0.5","99.9","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C12 H21 O5.5 -","- C12 H21 O5.5 -","- C144 H252 O66 -","12","6","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0495","0.0454","","","0.1183","0.1217","","","","","","1","","","","has coordinates,has disorder","235362","2020-10-21","18:00:00",""
"4036883","8.05049","0.00008","11.4387","0.00012","12.60616","0.00016","90","","90","","90","","1160.87","0.02","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0252","0.024","","","0.061","0.0622","","","","","","1.002","","","","has coordinates","235363","2020-10-21","18:00:00",""
"4036884","16.80683","0.00018","14.18677","0.00016","10.38483","0.00011","90","","90","","90","","2476.1","0.05","99.9","0.5","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H20 O5 -","- C12 H20 O5 -","- C96 H160 O40 -","8","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0318","0.0291","","","0.0739","0.0758","","","","","","1.003","","","","has coordinates","235364","2020-10-21","18:00:00",""
"4036885","9.58732","0.00015","7.56398","0.00014","16.239","0.0004","90","","90","","90","","1177.62","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0266","0.0251","","","0.0599","0.061","","","","","","1","","","","has coordinates","235365","2020-10-21","18:00:00",""
"4036886","11.6494","0.0002","10.45558","0.00017","9.88362","0.00018","90","","105.735","0.0019","90","","1158.73","0.04","100.2","0.9","100.2","0.9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.036","0.032","","","0.0865","0.0894","","","","","","1.001","","","","has coordinates","235366","2020-10-21","18:00:00",""
"4036887","8.1905","0.0003","22.699","0.0008","8.3591","0.0004","90","","108.004","0.005","90","","1478","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Chen, Kai; Wu, Feng; Ye, Lijuan; Tian, Zi-You; Yu, Zhi-Xiang; Zhu, Shifa","Cycloaddition Reaction of Vinylphenylfurans and Dimethyl Acetylenedicarboxylate to [8 + 2] Isomers via Tandem [4 + 2]/Diradical Alkene-Alkene Coupling/[1,3]-H Shift Reactions: Experimental Exploration and DFT Understanding of Reaction Mechanisms.","The Journal of organic chemistry","2016","81","18","8155","8168","10.1021/acs.joc.6b00792","","","1.54178","CuKα","","0.0477","0.0424","","","0.1335","0.1411","","","","","","1.065","","","","has coordinates","235367","2020-10-21","18:00:00",""
"4036888","7.7687","0.0004","8.5018","0.0005","13.4014","0.0008","78.673","0.005","80.463","0.005","63.227","0.005","771.83","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C36 H36 O12 -","2","1","","Chen, Kai; Wu, Feng; Ye, Lijuan; Tian, Zi-You; Yu, Zhi-Xiang; Zhu, Shifa","Cycloaddition Reaction of Vinylphenylfurans and Dimethyl Acetylenedicarboxylate to [8 + 2] Isomers via Tandem [4 + 2]/Diradical Alkene-Alkene Coupling/[1,3]-H Shift Reactions: Experimental Exploration and DFT Understanding of Reaction Mechanisms.","The Journal of organic chemistry","2016","81","18","8155","8168","10.1021/acs.joc.6b00792","","","1.54178","CuKα","","0.0455","0.0415","","","0.1595","0.1695","","","","","","1.015","","","","has coordinates","235368","2020-10-21","18:00:00",""
"4036889","8.106","0.003","15.762","0.006","16.823","0.007","90","","97.437","0.005","90","","2131.3","1.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si -","- C24 H36 Si -","- C96 H144 Si4 -","4","2","","Arii, Hidekazu; Yano, Yuto; Nakabayashi, Kenichi; Yamaguchi, Syuhei; Yamamura, Masaki; Mochida, Kunio; Kawashima, Takayuki","Regioselective and Stereospecific Dehydrogenative Annulation Utilizing Silylium Ion-Activated Alkenes.","The Journal of organic chemistry","2016","81","15","6314","6319","10.1021/acs.joc.6b00793","","","0.71075","MoKα","","0.0653","0.0507","","","0.1137","0.1252","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036890","33.4222","0.0008","38.2066","0.0009","22.4745","0.0006","90","","103.762","0.003","90","","27874.9","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59.27 H53.82 Cl4.36 O4.36 -","- C59.2727 Cl4.36364 O4.36364 -","- C1304 Cl96 O96 -","22","5.5","","Phulwale, Bhimrao Vaijnath; Mishra, Sushil Kumar; Nečas, Marek; Mazal, Ctibor","Phenanthrylene-butadiynylene and Phenanthrylene-thienylene Macrocycles: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2016","81","15","6244","6252","10.1021/acs.joc.6b00814","","","0.71073","MoKα","","0.1758","0.1491","","","0.4316","0.4537","","","","","","1.935","","","","has coordinates,has disorder","235371","2020-10-21","18:00:00",""
"4036891","10.9766","0.0007","6.5881","0.0004","10.9953","0.0008","90","","107.557","0.002","90","","758.09","0.09","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C44 H32 Fe2 -","2","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Kanyiva, Kyalo Stephen","Pt-Catalyzed Enantioselective Cycloisomerization for the Synthesis of Planar-Chiral Ferrocene Derivatives.","The Journal of organic chemistry","2016","81","15","6266","6272","10.1021/acs.joc.6b00825","","","0.71075","MoKα","","0.0328","0.0294","","","0.0827","0.0941","","","","","","1.154","","","","has coordinates","235372","2020-10-21","18:00:00",""
"4036892","7.96672","0.00009","17.5832","0.0002","9.10756","0.00011","90","","90.6275","0.001","90","","1275.71","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Liu, Yang; Lei, Kang; Liu, Na; Sun, Dong-Wei; Hua, Xue-Wen; Li, Ya-Juan; Xu, Xiao-Hua","Indium-Mediated Intramolecular Reaction of N-(2-Iodobenzoyl)azabenzonorbornadienes: A General Access to Dihydrobenzo[c]phenanthridinones.","The Journal of organic chemistry","2016","81","13","5495","5503","10.1021/acs.joc.6b00839","","x-ray","1.54184","CuKα","","0.0383","0.0374","","","0.1002","0.1011","","","","","","1.081","","","","has coordinates","235374","2020-10-21","18:00:00",""
"4036893","18.476","0.003","10.9715","0.0015","16.715","0.003","90","","105.311","0.002","90","","3268","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","2","","Wen, Li-Rong; Man, Ning-Ning; Yuan, Wen-Kui; Li, Ming","Direct Construction of 2-Aryliminochromenes from Arynes, N,S-Keteneacetals, and DMF.","The Journal of organic chemistry","2016","81","14","5942","5948","10.1021/acs.joc.6b00843","","","0.71073","MoKα","","0.0706","0.0648","","","0.1514","0.1556","","","","","","1.163","","","","has coordinates","235376","2020-10-21","18:00:00",""
"4036894","11.2588","0.0009","12.7094","0.0011","8.3747","0.0007","90","","109.059","0.001","90","","1132.67","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14233a","","","- C12 H6 F4 O2 S -","- C12 H6 F4 O2 S -","- C48 H24 F16 O8 S4 -","4","1","","Lemal, David M.","Cycloaddition Chemistry of Tetrafluorothiophene S,S-Dioxide.","The Journal of organic chemistry","2016","81","12","4931","4938","10.1021/acs.joc.6b00848","","","0.71073","MoKα","","0.0412","0.0318","","","0.0767","0.0827","","","","","","1.042","","","","has coordinates","235377","2020-10-21","18:00:00",""
"4036895","7.8097","0.0005","8.4203","0.0005","10.7272","0.0006","98.112","0.004","95.627","0.004","98.351","0.004","685.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 Br F6 O3 S -","- C10 H5 Br F6 O3 S -","- C20 H10 Br2 F12 O6 S2 -","2","1","","Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping","Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species.","The Journal of organic chemistry","2016","81","11","4797","4806","10.1021/acs.joc.6b00855","","","0.71073","MoKα","","0.0523","0.0421","","","0.1277","0.134","","","","","","0.971","","","","has coordinates","235379","2020-10-21","18:00:00",""
"4036896","5.892","0.005","11.809","0.01","20.667","0.018","90","","90","","90","","1438","2","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl F3 -","- C16 H12 Cl F3 -","- C64 H48 Cl4 F12 -","4","1","","Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping","Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species.","The Journal of organic chemistry","2016","81","11","4797","4806","10.1021/acs.joc.6b00855","","","0.71073","MoKα","","0.095","0.0549","","","0.1386","0.1527","","","","","","1.002","","","","has coordinates","235379","2020-10-21","18:00:00",""
"4036897","13.8918","0.0016","21.385","0.002","15.38","0.0018","90","","98.78","0.002","90","","4515.5","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 B Br2 F2 N2 P2 Pd -","- C49 H43 B Br2 F2 N2 P2 Pd -","- C196 H172 B4 Br8 F8 N8 P8 Pd4 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1469","0.0668","","","0.1162","0.1394","","","","","","1.025","","","","has coordinates","235381","2020-10-21","18:00:00",""
"4036898","18.476","0.004","25.38","0.005","20.823","0.004","90","","107.773","0.002","90","","9298","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C90 H73 B Br4 F2 N2 P4 Pd2 -","- C90 H73 B Br4 F2 N2 P4 Pd2 -","- C360 H292 B4 Br16 F8 N8 P16 Pd8 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1108","0.0482","","","0.0668","0.0723","","","","","","1.085","","","","has coordinates","235382","2020-10-21","18:00:00",""
"4036899","10.6284","0.0009","21.6227","0.0018","9.5074","0.0008","90","","94.685","0.001","90","","2177.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 B Br2 F2 N2 S2 -","- C23 H13 B Br2 F2 N2 S2 -","- C92 H52 B4 Br8 F8 N8 S8 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1245","0.0986","","","0.2783","0.3017","","","","","","1.074","","","","has coordinates","235385","2020-10-21","18:00:00",""
"4036900","8.09","0.0003","9.7183","0.0004","12.1016","0.0004","77.095","0.002","88.672","0.002","80.609","0.002","914.89","0.06","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 B Br2 F2 N2 S -","- C17 H15 B Br2 F2 N2 S -","- C34 H30 B2 Br4 F4 N4 S2 -","2","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.0903","0.0586","","","0.1645","0.1873","","","","","","1.067","","","","has coordinates","235387","2020-10-21","18:00:00",""
"4036901","17.7485","0.0019","10.5042","0.0012","30.002","0.003","90","","99.216","0.002","90","","5521.2","1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 B Br4 Cl3 F2 N2 P2 Pd -","- C55 H44 B Br4 Cl3 F2 N2 P2 Pd -","- C220 H176 B4 Br16 Cl12 F8 N8 P8 Pd4 -","4","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.1118","0.0459","","","0.0838","0.103","","","","","","0.982","","","","has coordinates,has disorder","235388","2020-10-21","18:00:00",""
"4036902","10.0689","0.0009","11.1065","0.001","13.8179","0.0013","87.339","0.001","78.759","0.001","80.718","0.001","1495.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H27 B Br2 F2 N2 O2 -","- C32 H27 B Br2 F2 N2 O2 -","- C64 H54 B2 Br4 F4 N4 O4 -","2","1","","Feng, Zeya; Jiao, Lijuan; Feng, Yuanmei; Yu, Changjiang; Chen, Na; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Regioselective and Stepwise Syntheses of Functionalized BODIPY Dyes through Palladium-Catalyzed Cross-Coupling Reactions and Direct C-H Arylations.","The Journal of organic chemistry","2016","81","15","6281","6291","10.1021/acs.joc.6b00858","","","0.71073","MoKα","","0.0744","0.0481","","","0.1259","0.1412","","","","","","0.963","","","","has coordinates","235390","2020-10-21","18:00:00",""
"4036903","10.6689","0.0004","10.9978","0.0005","11.8961","0.0006","81.299","0.002","66.497","0.001","62.702","0.001","1136.62","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H18 N2 O3 -","- C33 H18 N2 O3 -","- C66 H36 N4 O6 -","2","1","","Carneiro, Paula F.; Pinto, Maria do Carmo F R; Marra, Roberta K. F.; Campos, Vinícius R; Resende, Jackson Antônio L C; Delarmelina, Maicon; Carneiro, José Walkimar M; Lima, Emerson S.; da Silva, Fernando de C; Ferreira, Vitor F.","Insight into and Computational Studies of the Selective Synthesis of 6H-Dibenzo[b,h]xanthenes.","The Journal of organic chemistry","2016","81","13","5525","5537","10.1021/acs.joc.6b00864","","x-ray","0.71073","MoKα","","0.0554","0.0386","","","0.0988","0.1088","","","","","","1.043","","","","has coordinates","235392","2020-10-21","18:00:00",""
"4036904","15.6449","0.0002","9.02047","0.00012","23.2833","0.0003","90","","90","","90","","3285.84","0.07","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C152 H160 Br8 N8 O8 -","8","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0464","0.0336","","","0.0734","0.078","","","","","","1.053","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036905","7.9989","0.0002","9.6732","0.0002","13.3484","0.0003","90.048","0.002","96.165","0.002","112.241","0.003","949.49","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O -","- C21 H24 Br N O -","- C42 H48 Br2 N2 O2 -","2","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","1.54184","CuKα","","0.0376","0.0371","","","0.0947","0.0952","","","","","","1.055","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036906","7.3684","0.0003","9.7503","0.0004","22.0856","0.0009","90","","90","","90","","1586.72","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0767","0.0548","","","0.1112","0.1169","","","","","","0.916","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036907","14.954","0.0003","8.16087","0.00011","15.9498","0.0003","90","","112.96","0.002","90","","1792.27","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","1.54184","CuKα","","0.0326","0.0285","","","0.0722","0.0741","","","","","","1.06","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036908","13.3649","0.0019","28.6","0.003","7.4174","0.0011","90","","90","","90","","2835.2","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H10 Br2 -","- C18 H10 Br2 -","- C144 H80 Br16 -","8","2","","Wang, Jianbo; Yao, Jinzhong; Wang, Hailong; Chen, Hao; Dong, Jingcheng; Zhou, Hongwei","One-Pot Synthesis of Tetraphene and Construction of Expanded Conjugated Aromatics.","The Journal of organic chemistry","2016","81","12","5250","5255","10.1021/acs.joc.6b00890","","","0.71073","MoKα","","0.2003","0.1149","","","0.2679","0.3118","","","","","","1.034","","","","has coordinates","235396","2020-10-21","18:00:00",""
"4036909","11.728","0.009","14.884","0.011","6.523","0.005","90","","105.23","0.04","90","","1098.7","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CG-53","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.0534","0.0401","","","0.103","0.1127","","","","","","0.892","","","","has coordinates","235399","2020-10-21","18:00:00",""
"4036910","18.598","0.005","7.254","0.005","17.992","0.014","90","","106.78","0.03","90","","2324","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CG-12","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.0878","0.0505","","","0.1099","0.1253","","","","","","0.998","","","","has coordinates","235400","2020-10-21","18:00:00",""
"4036911","6.1867","0.0003","9.1457","0.0008","11.723","0.001","109.952","0.003","90.003","0.005","99.279","0.004","614.25","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C28 H32 N4 O2 -","2","1","","García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego","Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties.","The Journal of organic chemistry","2016","81","15","6292","6302","10.1021/acs.joc.6b00892","","","0.71073","MoKα","","0.062","0.0438","","","0.104","0.1137","","","","","","1.034","","","","has coordinates","235402","2020-10-21","18:00:00",""
"4036912","38.764","0.004","6.8408","0.0007","8.3667","0.0008","90","","91.32","0.002","90","","2218.1","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.038","0.0365","","","0.1012","0.1064","","","","","","1.08","","","","has coordinates,has disorder","235404","2020-10-21","18:00:00",""
"4036913","8.4382","0.0013","10.6416","0.0017","23.583","0.004","90","","90","","90","","2117.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.0303","0.0288","","","0.0722","0.0732","","","","","","1.04","","","","has coordinates","235405","2020-10-21","18:00:00",""
"4036914","10.1489","0.0016","10.1904","0.0016","14.839","0.002","88.909","0.003","73.752","0.003","66.213","0.002","1340.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 I N2 S -","- C27 H25 Cl2 I N2 S -","- C54 H50 Cl4 I2 N4 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0927","0.0857","","","0.2751","0.2879","","","","","","1.045","","","","has coordinates","235407","2020-10-21","18:00:00",""
"4036915","23.207","0.004","6.8396","0.0013","13.769","0.003","90","","90","","90","","2185.5","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H18 Cl3 I N2 S -","- C20 H18 Cl3 I N2 S -","- C80 H72 Cl12 I4 N8 S4 -","4","0.5","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0428","0.0313","","","0.0792","0.0844","","","","","","1.005","","","","has coordinates","235408","2020-10-21","18:00:00",""
"4036916","10.4816","0.0019","10.7583","0.0019","11.772","0.002","76.108","0.003","80.965","0.003","79.204","0.003","1257.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 I N2 O S -","- C27 H25 I N2 O S -","- C54 H50 I2 N4 O2 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.0719","0.0511","","","0.1559","0.1733","","","","","","1.016","","","","has coordinates","235410","2020-10-21","18:00:00",""
"4036917","13.461","0.003","12.271","0.003","17.054","0.004","90","","100.338","0.004","90","","2771.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 I N2 S -","- C28 H27 Cl2 I N2 S -","- C112 H108 Cl8 I4 N8 S4 -","4","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.2012","0.0728","","","0.1335","0.1631","","","","","","1.014","","","","has coordinates","235412","2020-10-21","18:00:00",""
"4036918","8.053","0.003","10.199","0.004","12.356","0.005","114.295","0.006","90.071","0.007","109.686","0.006","859.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 I N2 S -","- C19 H17 I N2 S -","- C38 H34 I2 N4 S2 -","2","1","","Guan, Li; Li, Anyang; Song, Yinyin; Yan, Mengqi; Gao, Dengfeng; Zhang, Xianghan; Li, Bin; Wang, Lanying","Nonplanar Monocyanines: Meso-Substituted Thiazole Orange with High Photostability and Their Synthetic Strategy as well as a Cell Association Study.","The Journal of organic chemistry","2016","81","15","6303","6313","10.1021/acs.joc.6b00928","","","0.71073","MoKα","","0.1338","0.1134","","","0.3081","0.3287","","","","","","1.07","","","","has coordinates","235413","2020-10-21","18:00:00",""
"4036919","10.833","0.004","7.555","0.003","24.472","0.009","90","","101.544","0.007","90","","1962.4","1.3","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br F3 N O3 -","- C21 H17 Br F3 N O3 -","- C84 H68 Br4 F12 N4 O12 -","4","1","","Huan, Feng; Chen, Qing-Yun; Guo, Yong","Visible Light-Induced Photoredox Construction of Trifluoromethylated Quaternary Carbon Centers from Trifluoromethylated Tertiary Bromides.","The Journal of organic chemistry","2016","81","16","7051","7063","10.1021/acs.joc.6b00930","","","0.71073","MoKα","","0.2218","0.0911","","","0.1873","0.2401","","","","","","0.975","","","","has coordinates","235415","2020-10-21","18:00:00",""
"4036920","10.9041","0.0016","10.6234","0.0016","14.133","0.002","90","","90.319","0.003","90","","1637.1","0.4","293","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br F4 N O3 -","- C15 H14 Br F4 N O3 -","- C60 H56 Br4 F16 N4 O12 -","4","1","","Huan, Feng; Chen, Qing-Yun; Guo, Yong","Visible Light-Induced Photoredox Construction of Trifluoromethylated Quaternary Carbon Centers from Trifluoromethylated Tertiary Bromides.","The Journal of organic chemistry","2016","81","16","7051","7063","10.1021/acs.joc.6b00930","","","0.71073","MoKα","","0.0998","0.042","","","0.0941","0.1149","","","","","","0.996","","","","has coordinates","235417","2020-10-21","18:00:00",""
"4036921","10.8811","0.0008","9.6564","0.0007","14.0641","0.0011","90","","97.864","0.001","90","","1463.85","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O3 -","- C35 H36 N2 O3 -","- C70 H72 N4 O6 -","2","1","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.0399","0.0368","","","0.0873","0.0887","","","","","","1.071","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036922","9.7297","0.0014","24.373","0.004","12.012","0.002","90","","92.421","0.007","90","","2846","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N O3 -","- C33 H33 N O3 -","- C132 H132 N4 O12 -","4","2","","Gupta, Riddhi; Gonnade, Rajesh G.; Bedekar, Ashutosh V.","Application of Roof-Shape Amines as Chiral Solvating Agents for Discrimination of Optically Active Acids by NMR Spectroscopy: Study of Match-Mismatch Effect and Crystal Structure of the Diastereomeric Salts.","The Journal of organic chemistry","2016","81","17","7384","7392","10.1021/acs.joc.6b00935","","","0.71073","MoKα","","0.1501","0.0991","","","0.1307","0.1486","","","","","","1.075","","","","has coordinates","235421","2020-10-21","18:00:00",""
"4036923","8.9513","0.001","4.8424","0.0006","25.886","0.003","90","","102.982","0.01","90","","1093.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C40 H44 F12 N8 O4 -","4","1","","Zhu, Mei; Han, Xin; Fu, Weijun; Wang, Zhiqiang; Ji, Baoming; Hao, Xin-Qi; Song, Mao-Ping; Xu, Chen","Regioselective 2,2,2-Trifluoroethylation of Imidazopyridines by Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2016","81","16","7282","7287","10.1021/acs.joc.6b00950","","","0.71073","MoKα","","0.0776","0.0595","","","0.1396","0.1504","","","","","","1.128","","","","has coordinates","235422","2020-10-21","18:00:00",""
"4036924","6.788","0.0001","13.1767","0.0003","25.9973","0.0005","90","","90","","90","","2325.29","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-diethyl 3-(2-methoxyphenyl)-8-nitro-4-oxo-1,3a,4,9b- tetrahydrochromeno[4,3-b]pyrrole-2,2(3H)-dicarboxylate","","- C24 H24 N2 O9 -","- C24 H24 N2 O9 -","- C96 H96 N8 O36 -","4","1","","Kowalczyk, Dorota; Albrecht, Łukasz","Organocatalytic Doubly Annulative Approach to 3,4-Dihydrocoumarins Bearing a Fused Pyrrolidine Scaffold.","The Journal of organic chemistry","2016","81","15","6800","6807","10.1021/acs.joc.6b00975","","","1.54178","CuKα","","0.0281","0.0281","","","0.0734","0.0734","","","","","","1.095","","","","has coordinates","235424","2020-10-21","18:00:00",""
"4036925","10.5388","0.0004","19.2355","0.0006","13.3088","0.0005","90","","104.093","0.001","90","","2616.74","0.16","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3ha","","","- C29 H22 Cl3 N O3 S -","- C29 H22 Cl3 N O3 S -","- C116 H88 Cl12 N4 O12 S4 -","4","1","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0641","0.053","","","0.1336","0.1413","","","","","","1.066","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036926","8.8896","0.0007","9.8927","0.0007","11.5646","0.0012","94.747","0.004","112.49","0.003","110.443","0.003","852.55","0.13","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C44 H34 N2 O4 S2 -","2","1","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0598","0.0522","","","0.1367","0.1424","","","","","","1.046","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036927","10.1326","0.0006","10.4668","0.0006","21.8586","0.0012","90","","95.792","0.002","90","","2306.4","0.2","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H34 F4 N2 O8 S2 -","- C56 H34 F4 N2 O8 S2 -","- C112 H68 F8 N4 O16 S4 -","2","0.5","","Liu, Hui; Li, Jie; Xiong, Miao; Jiang, Jijun; Wang, Jun","Cp*Co(III)-Catalyzed C-H Alkenylation/Annulation to Afford Spiro Indenyl Benzosultam.","The Journal of organic chemistry","2016","81","14","6093","6099","10.1021/acs.joc.6b00976","","","0.71073","MoKα","","0.0693","0.0479","","","0.1125","0.1221","","","","","","1.058","","","","has coordinates","235426","2020-10-21","18:00:00",""
"4036928","20.165","0.004","7.1874","0.0014","34.207","0.007","90","","104.89","0.03","90","","4791.3","1.8","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl F3 N2 O5 -","- C24 H26 Cl F3 N2 O5 -","- C192 H208 Cl8 F24 N16 O40 -","8","1","","Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei","Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.","The Journal of organic chemistry","2016","81","17","7393","7399","10.1021/acs.joc.6b00981","","","0.71073","MoKα","","0.084","0.0751","","","0.2019","0.2096","","","","","","1.149","","","","has coordinates,has disorder","235428","2020-10-21","18:00:00",""
"4036929","7.6833","0.0017","16.259","0.004","17.707","0.004","90","","98.538","0.003","90","","2187.5","0.9","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl N2 O5 -","- C23 H27 Cl N2 O5 -","- C92 H108 Cl4 N8 O20 -","4","1","","Niu, Guangle; Liu, Weimin; Zhou, Bingjiang; Xiao, Hongyan; Zhang, Hongyan; Wu, Jiasheng; Ge, Jiechao; Wang, Pengfei","Deep-Red and Near-Infrared Xanthene Dyes for Rapid Live Cell Imaging.","The Journal of organic chemistry","2016","81","17","7393","7399","10.1021/acs.joc.6b00981","","","0.71073","MoKα","","0.08","0.072","","","0.1538","0.1585","","","","","","1.212","","","","has coordinates","235430","2020-10-21","18:00:00",""
"4036930","10.211","0.0018","24.559","0.004","25.563","0.005","90","","90","","90","","6410","2","93","","93","","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","H2N-Trp-Trp-(Leu-Leu-Ac5)2-OMe.AcOEt","","- C63 H94 N10 O11 -","- C63 H94 N10 O11 -","- C252 H376 N40 O44 -","4","1","","Ueda, Atsushi; Umeno, Tomohiro; Doi, Mitsunobu; Akagawa, Kengo; Kudo, Kazuaki; Tanaka, Masakazu","Helical-Peptide-Catalyzed Enantioselective Michael Addition Reactions and Their Mechanistic Insights.","The Journal of organic chemistry","2016","81","15","6343","6356","10.1021/acs.joc.6b00982","","","0.71073","MoKα","","0.0894","0.0737","","","0.1602","0.1696","","","","","","1.115","","","","has coordinates","235432","2020-10-21","18:00:00",""
"4036931","15.8893","0.0011","8.6895","0.0006","16.3849","0.0014","90","","102.646","0.008","90","","2207.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N O2 S -","- C25 H22 Cl N O2 S -","- C100 H88 Cl4 N4 O8 S4 -","4","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.122","0.0695","","","0.1147","0.1445","","","","","","1.093","","","","has coordinates","235435","2020-10-21","18:00:00",""
"4036932","16.1636","0.0008","8.3922","0.0002","18.1804","0.0009","90","","116.007","0.006","90","","2216.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br N O2 S -","- C25 H22 Br N O2 S -","- C100 H88 Br4 N4 O8 S4 -","4","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0761","0.0457","","","0.1035","0.1177","","","","","","1.011","","","","has coordinates","235437","2020-10-21","18:00:00",""
"4036933","8.8934","0.0005","10.6507","0.0005","12.735","0.0007","87.351","0.004","71.155","0.004","71.657","0.003","1081.54","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Br N O2 S -","- C25 H22 Br N O2 S -","- C50 H44 Br2 N2 O4 S2 -","2","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0569","0.0384","","","0.0683","0.0739","","","","","","1.1","","","","has coordinates","235439","2020-10-21","18:00:00",""
"4036934","14.904","0.003","14.88","0.003","21.229","0.004","90","","107.246","0.005","90","","4496.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C208 H200 N8 O16 S8 -","8","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0722","0.046","","","0.1335","0.1537","","","","","","0.975","","","","has coordinates","235441","2020-10-21","18:00:00",""
"4036935","10.3833","0.0009","10.4789","0.001","10.8297","0.0009","103.353","0.004","96.832","0.004","90.812","0.005","1137.28","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C54 H54 N2 O4 S2 -","2","1","","Borthakur, Upasana; Borah, Madhurjya; Deka, Manash J.; Saikia, Anil K.","Synthesis of Tetrahydro-1H-indeno[1,2-b]pyridine via Cascade Cyclization and Friedel-Crafts Reaction.","The Journal of organic chemistry","2016","81","19","8736","8743","10.1021/acs.joc.6b00988","","","0.71073","MoKα","","0.0525","0.0387","","","0.0971","0.1069","","","","","","1.058","","","","has coordinates","235443","2020-10-21","18:00:00",""
"4036936","13.764","0.003","8.3813","0.0018","15.703","0.003","90","","95.075","0.004","90","","1804.4","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","1","","Wang, Ya-Ni; Li, Tian-Ren; Zhang, Mao-Mao; Cheng, Bei-Yi; Lu, Liang-Qiu; Xiao, Wen-Jing","Formal [3 + 2] Cycloadditions via Indole Activation: A Route to Pyrroloindolines and Furoindolines.","The Journal of organic chemistry","2016","81","21","10491","10498","10.1021/acs.joc.6b00991","","","0.71073","MoKα","","0.1292","0.0811","","","0.1757","0.1911","","","","","","1.123","","","","has coordinates,has disorder","235445","2020-10-21","18:00:00",""
"4036937","9.15161","0.00018","9.9023","0.0002","18.6303","0.0004","90","","96.675","0.002","90","","1676.87","0.06","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 O3 S -","- C18 H17 F3 O3 S -","- C72 H68 F12 O12 S4 -","4","1","","Rawner, Thomas; Knorn, Matthias; Lutsker, Eugen; Hossain, Asik; Reiser, Oliver","Synthesis of Trifluoromethylated Sultones from Alkenols Using a Copper Photoredox Catalyst.","The Journal of organic chemistry","2016","81","16","7139","7147","10.1021/acs.joc.6b01001","","","1.54184","CuKα","","0.0351","0.0318","","","0.0836","0.0865","","","","","","1.0387","","","","has coordinates,has disorder","235447","2020-10-21","18:00:00",""
"4036938","21.0171","0.0011","8.3446","0.0005","21.3332","0.0012","90","","114.015","0.003","90","","3417.5","0.3","93","0.2","93","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 N O8 Se Si -","- C35 H51 N O8 Se Si -","- C140 H204 N4 O32 Se4 Si4 -","4","1","","Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki","Construction of the Fused Pentacycle of Talatisamine via a Combination of Radical and Cationic Cyclizations.","The Journal of organic chemistry","2016","81","21","10204","10213","10.1021/acs.joc.6b01011","","","1.54178","","","0.0633","0.0482","","","0.1265","0.1381","","","","","","1.021","","","","has coordinates,has disorder","235449","2020-10-21","18:00:00",""
"4036939","9.3706","0.0012","17.767","0.005","8.5579","0.0011","90","","107.183","0.012","90","","1361.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 N4 O Rb -","- C14 H5 N4 O Rb -","- C56 H20 N16 O4 Rb4 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","0.71073","MoKα","","0.0985","0.0449","","","0.0696","0.0802","","","","","","0.974","","","","has coordinates","235451","2020-10-21","18:00:00",""
"4036940","8.2223","0.0004","10.6045","0.0006","17.2234","0.0007","90","","92.545","0.004","90","","1500.29","0.13","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 K N4 O2 -","- C14 H7 K N4 O2 -","- C56 H28 K4 N16 O8 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.095","0.0396","","","0.079","0.0999","","","","","","0.847","","","","has coordinates","235453","2020-10-21","18:00:00",""
"4036941","8.1536","0.0002","10.1851","0.0002","16.6349","0.0005","90","","92.739","0.002","90","","1379.87","0.06","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 N4 Na O2 -","- C14 H7 N4 Na O2 -","- C56 H28 N16 Na4 O8 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.059","0.046","","","0.1347","0.1446","","","","","","1.052","","","","has coordinates","235455","2020-10-21","18:00:00",""
"4036942","9.6659","0.0004","18.418","0.0005","8.3669","0.0003","90","","107.607","0.003","90","","1419.75","0.09","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 Cs N4 O -","- C14 H5 Cs N4 O -","- C56 H20 Cs4 N16 O4 -","4","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.0746","0.0617","","","0.1428","0.1481","","","","","","0.952","","","","has coordinates","235456","2020-10-21","18:00:00",""
"4036943","8.7665","0.0003","9.4171","0.0003","9.929","0.0003","63.474","0.003","76.105","0.003","67.301","0.003","674.31","0.04","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 Li N4 O2 -","- C14 H7 Li N4 O2 -","- C28 H14 Li2 N8 O4 -","2","1","","Karpov, Sergey V.; Grigor'ev, Arthur A.; Kayukov, Yakov S.; Karpova, Irina V.; Nasakin, Oleg E.; Tafeenko, Victor A.","Synthesis and X-ray Characterization of Alkali Metal 2-Acyl-1,1,3,3-tetracyanopropenides.","The Journal of organic chemistry","2016","81","15","6402","6408","10.1021/acs.joc.6b01040","","","1.54186","CuKα","","0.0964","0.0783","","","0.2068","0.2223","","","","","","0.937","","","","has coordinates","235458","2020-10-21","18:00:00",""
"4036944","21.524","0.012","6.136","0.003","11.931","0.008","90","","92.893","0.019","90","","1573.7","1.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 F6 -","- C22 H10 F6 -","- C88 H40 F24 -","4","0.5","","Zhou, Jing; Berthel, Johannes H. J.; Kuntze-Fechner, Maximilian W; Friedrich, Alexandra; Marder, Todd B.; Radius, Udo","NHC Nickel-Catalyzed Suzuki-Miyaura Cross-Coupling Reactions of Aryl Boronate Esters with Perfluorobenzenes.","The Journal of organic chemistry","2016","81","13","5789","5794","10.1021/acs.joc.6b01041","","","0.71073","MoKα","","0.0296","0.0282","","","0.0766","0.0778","","","","","","1.079","","","","has coordinates","235459","2020-10-21","18:00:00",""
"4036945","9.4924","0.0012","13.7707","0.0016","15.835","0.002","107.369","0.011","102.785","0.011","92.675","0.01","1912.4","0.4","220.6","0.1","220.6","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","2","","Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu","Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles.","The Journal of organic chemistry","2016","81","16","7172","7181","10.1021/acs.joc.6b01045","","x-ray","0.71073","MoKα","","0.1635","0.0738","","","0.1508","0.215","","","","","","1.039","","","","has coordinates","235461","2020-10-21","18:00:00",""
"4036946","14.4383","0.0004","16.5487","0.0006","31.6999","0.0008","90","","90","","90","","7574.2","0.4","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C352 H384 N32 O32 -","16","0.5","","Jia, Wen-Liang; He, Jian; Yang, Jia-Jing; Gao, Xue-Wang; Liu, Qiang; Wu, Li-Zhu","Homocoupling of 3-Halooxindole via Visible-Light Photocatalysis: A Mild Access to 3,3'-Bioxindoles.","The Journal of organic chemistry","2016","81","16","7172","7181","10.1021/acs.joc.6b01045","","","0.71073","MoKα","","0.0726","0.0535","","","0.1355","0.1488","","","","","","1.107","","","","has coordinates","235463","2020-10-21","18:00:00",""
"4036947","14.537","0.005","10.994","0.005","15.122","0.005","90","0.005","113.089","0.005","90","0.005","2223.2","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br Cl N2 O2 S -","- C24 H20 Br Cl N2 O2 S -","- C96 H80 Br4 Cl4 N8 O8 S4 -","4","1","","Sayyad, Masthanvali; Mal, Abhijit; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","A Synthetic Route to Chiral Tetrahydropyrroloindoles via Ring Opening of Activated Aziridines with 2-Bromoindoles Followed by Copper-Catalyzed C-N Cyclization.","The Journal of organic chemistry","2016","81","15","6424","6432","10.1021/acs.joc.6b01049","","","0.71073","MoKα","","0.084","0.0511","","","0.1116","0.1242","","","","","","1.018","","","","has coordinates","235465","2020-10-21","18:00:00",""
"4036948","32.136","0.002","14.7792","0.0011","7.6234","0.0006","90","","90","","90","","3620.7","0.5","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C200 H144 O16 -","8","2","","Harris, Trevor; Gomes, Gabriel Dos Passos; Clark, Ronald J.; Alabugin, Igor V.","Domino Fragmentations in Traceless Directing Groups of Radical Cascades: Evidence for the Formation of Alkoxy Radicals via C-O Scission.","The Journal of organic chemistry","2016","81","14","6007","6017","10.1021/acs.joc.6b01052","","","0.71073","MoKα","","0.0404","0.0355","","","0.0813","0.0839","","","","","","1.018","","","","has coordinates","235467","2020-10-21","18:00:00",""
"4036949","5.8149","0.0007","7.7454","0.0009","15.5132","0.0013","90","","95.543","0.008","90","","695.43","0.13","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","(2S,3R)-4-nitro-2,3-diphenylbutanal","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1035","0.0392","","","0.0586","0.0667","","","","","","0.737","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4036950","5.882","0.0003","14.7971","0.0009","17.7539","0.0013","90","","90","","90","","1545.24","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-chloro-3-(2-chlorophenyl)-4-(nitromethyl)chroman-2-ol","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C64 H52 Cl8 N4 O16 -","4","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1247","0.0372","","","0.0456","0.0557","","","","","","0.712","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4036951","14.827","0.0014","10.2711","0.0009","14.4324","0.0013","90","","115.034","0.004","90","","1991.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0671","0.0513","","","0.1591","0.1827","","","","","","1.165","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036952","7.9328","0.0003","14.3352","0.0005","16.9365","0.0007","90","","90","","90","","1925.99","0.13","103","2","102.74","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0266","0.0261","","","0.066","0.0663","","","","","","1.073","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036953","32.5617","0.0009","12.2539","0.0003","19.7547","0.0005","90","","98.588","0.002","90","","7793.9","0.4","100","2","99.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C352 H464 N16 O48 -","16","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0601","0.0472","","","0.113","0.1206","","","","","","1.03","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036954","16.2407","0.0005","18.9857","0.0006","12.4646","0.0004","90","","90","","90","","3843.3","0.2","101","2","100.94","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0394","0.0351","","","0.0885","0.092","","","","","","1.037","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036955","8.0354","0.0006","13.7812","0.001","18.9887","0.0014","90","","90","","90","","2102.8","0.3","101","2","100.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0287","0.0282","","","0.0708","0.0712","","","","","","1.07","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036956","6.2306","0.0002","15.6867","0.0005","41.3174","0.0013","90","","90","","90","","4038.3","0.2","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C184 H248 N8 O24 -","8","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0276","0.0265","","","0.0656","0.0663","","","","","","1.045","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036957","20.7554","0.0007","6.2296","0.0002","17.0708","0.0006","90","","101.719","0.002","90","","2161.21","0.13","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0558","0.0432","","","0.1058","0.1135","","","","","","1.05","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036958","11.7956","0.0004","12.4371","0.0004","16.1837","0.0005","101.858","0.002","99.614","0.001","105.039","0.001","2182.13","0.13","100","2","99.95","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0498","0.0423","","","0.0984","0.1033","","","","","","1.045","","","","has coordinates,has disorder","235471","2020-10-21","18:00:00",""
"4036959","9.4165","0.0002","10.5253","0.0002","12.954","0.0004","101.378","0.001","101.243","0.001","109.559","0.001","1137.7","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 I N O5 S2 -","- C22 H24 I N O5 S2 -","- C44 H48 I2 N2 O10 S4 -","2","1","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0244","0.0231","","","0.0678","0.0685","","","","","","1.14","","","","has coordinates","235474","2020-10-21","18:00:00",""
"4036960","12.6692","0.0011","12.6854","0.0012","15.731","0.002","106.514","0.007","107.072","0.007","100.27","0.005","2220.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H29 F6 I2 N2 O9 S4 -","- C42 H29 F6 I2 N2 O9 S4 -","- C84 H58 F12 I4 N4 O18 S8 -","2","1","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0889","0.0685","","","0.1583","0.1818","","","","","","1.103","","","","has coordinates","235475","2020-10-21","18:00:00",""
"4036961","11.0134","0.0004","14.8591","0.0005","31.472","0.001","90","","90","","90","","5150.4","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H50 I2 N2 O15 S4 -","- C48 H50 I2 N2 O15 S4 -","- C192 H200 I8 N8 O60 S16 -","4","0.5","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0306","0.0297","","","0.0852","0.093","","","","","","1.252","","","","has coordinates","235477","2020-10-21","18:00:00",""
"4036962","9.8222","0.001","8.1367","0.0009","42.794","0.005","90","","95.322","0.003","90","","3405.4","0.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (Z)-3-phenyl-2-(phenylthio)-3-(vinyloxy)acrylate","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C152 H144 O24 S8 -","8","2","","Klose, Immo; Misale, Antonio; Maulide, Nuno","Synthesis and Photocatalytic Reactivity of Vinylsulfonium Ylides.","The Journal of organic chemistry","2016","81","16","7201","7210","10.1021/acs.joc.6b01073","","","0.71073","MoKα","","0.0909","0.0523","","","0.105","0.1205","","","","","","1.026","","","","has coordinates","235478","2020-10-21","18:00:00",""
"4036963","15.6683","0.0004","5.6868","0.0001","25.2204","0.0006","90","","99.612","0.001","90","","2215.65","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.037","0.035","","","0.0968","0.11","","","","","","1.126","","","","has coordinates","235481","2020-10-21","18:00:00",""
"4036964","5.8141","0.0007","24.09","0.003","8.659","0.0014","90","","108.437","0.01","90","","1150.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.0406","0.0401","","","0.103","0.1034","","","","","","1.107","","","","has coordinates","235482","2020-10-21","18:00:00",""
"4036965","12.1871","0.0004","8.1671","0.0003","11.3491","0.0004","90","","100.172","0.001","90","","1111.86","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Reckenthäler, Melissa; Neudörfl, Jörg-M; Zorlu, Elif; Griesbeck, Axel G.","Combined Photoredox and Lewis Acid Catalyzed α-Hydroxyalkylation of Cyclic Ethers with Aromatic Ketones.","The Journal of organic chemistry","2016","81","16","7211","7216","10.1021/acs.joc.6b01085","","","1.54178","CuKα","","0.0404","0.0387","","","0.1075","0.1091","","","","","","1.076","","","","has coordinates","235484","2020-10-21","18:00:00",""
"4036966","13.3763","0.0007","9.9725","0.0005","14.0504","0.0007","90","","96.255","0.004","90","","1863.1","0.16","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-benzyl-8-chloro-12,13-dihydro-4bH-isoquinolino[2,1-a]quinazolin-6(5H)-one","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.0636","0.0457","","","0.1189","0.1395","","","","","","1.082","","","","has coordinates","235486","2020-10-21","18:00:00",""
"4036967","10.3261","0.0008","15.0211","0.0008","16.2026","0.0009","90","","90","","90","","2513.2","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 O2 -","- C32 H26 N4 O2 -","- C128 H104 N16 O8 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.1106","0.0668","","","0.1464","0.1876","","","","","","1.0263","","","","has coordinates","235488","2020-10-21","18:00:00",""
"4036968","7.941","0.0004","11.929","0.0005","13.9233","0.0007","90","","90","","90","","1318.93","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.0627","0.0609","","","0.1603","0.1628","","","","","","1.061","","","","has coordinates","235489","2020-10-21","18:00:00",""
"4036969","8.2","0.004","6.899","0.004","12.679","0.008","90","","102.281","0.006","90","","700.9","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(5-diazonium-1,2,3-triazolat-4-yl)-1H-tetrazole hydrate","","- C3 H3 N9 O -","- C3 H3 N9 O -","- C12 H12 N36 O4 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Pflüger, Carolin","Isolation of a Moderately Stable but Sensitive Zwitterionic Diazonium Tetrazolyl-1,2,3-triazolate.","The Journal of organic chemistry","2016","81","14","6123","6127","10.1021/acs.joc.6b01098","","","0.71069","MoKα","","0.0545","0.04","","","0.0979","0.1074","","","","","","1.067","","","","has coordinates","235491","2020-10-21","18:00:00",""
"4036970","19.6918","0.0001","19.6918","0.0001","19.3835","0.0002","90","","90","","90","","7516.28","0.09","100","0.1","100","0.1","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46.25 H48 O6.5 -","- C46.25 H48 O6.5 -","- C370 H384 O52 -","8","1","","Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.","The Journal of organic chemistry","2016","81","14","6018","6025","10.1021/acs.joc.6b01099","","","1.54184","CuKα","","0.0693","0.0618","","","0.1915","0.2012","","","","","","0.871","","","","has coordinates,has disorder","235492","2020-10-21","18:00:00",""
"4036971","14.2464","0.0004","15.6824","0.0006","21.1893","0.0006","77.808","0.003","89.936","0.002","68.049","0.003","4276","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C98 H104 O8 -","- C98 H104 O8 -","- C196 H208 O16 -","2","1","","Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.","The Journal of organic chemistry","2016","81","14","6018","6025","10.1021/acs.joc.6b01099","","","1.54184","CuKα","","0.0707","0.0616","","","0.1716","0.1766","","","","","","1.049","","","","has coordinates,has disorder","235494","2020-10-21","18:00:00",""
"4036972","30.1898","0.0004","6.3221","0.0001","21.9555","0.0003","90","","115.323","0.001","90","","3787.83","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","eag219.1","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","1","","Arpa, Enrique M.; González-Esguevillas, María; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric Synthesis of Bicycloprolines by a 1,3-Dipolar Cycloaddition/Intramolecular Alkylation Strategy.","The Journal of organic chemistry","2016","81","14","6128","6135","10.1021/acs.joc.6b01100","","","0.71073","","","0.0635","0.0432","","","0.1208","0.1463","","","","","","1.074","","","","has coordinates","235496","2020-10-21","18:00:00",""
"4036973","9.9626","0.0002","14.5776","0.0004","17.0821","0.0004","90","","90","","90","","2480.85","0.1","150","","150","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C12 H16 I N O -","- C12 H16 I N O -","- C96 H128 I8 N8 O8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","0.71073","MoKα","","0.0379","0.0291","","0.0618","0.0585","0.0618","","","","","","1.0031","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036974","20.4099","0.0004","5.74096","0.00012","16.7887","0.0004","90","","106.159","0.002","90","","1889.46","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","1.54184","CuKα","","0.0431","0.037","","0.0974","0.0918","0.0972","","","","","","0.9959","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036975","14.6607","0.0002","15.61716","0.00019","31.711","0.0004","90","","90","","90","","7260.5","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 O5 S Si -","- C36 H52 N2 O5 S Si -","- C288 H416 N16 O40 S8 Si8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","1.5418","CuKα","","0.0367","0.0351","","0.0916","0.09","0.0916","","","","","","1.0003","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036976","12.096","0.0009","11.34","0.0008","7.9095","0.0006","90","","92.061","0.002","90","","1084.23","0.14","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-4-[(4-iodo-2-methylphenyl)amino]but-3-en-2-one","","- C11 H12 I N O -","- C11 H12 I N O -","- C44 H48 I4 N4 O4 -","4","1","","Chisholm, David R.; Valentine, Roy; Pohl, Ehmke; Whiting, Andrew","Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring.","The Journal of organic chemistry","2016","81","17","7557","7565","10.1021/acs.joc.6b01110","","x-ray","0.71073","MoKα","","0.0805","0.0731","","","0.1795","0.1865","","","","","","1.073","","","","has coordinates","235500","2020-10-21","18:00:00",""
"4036977","15.2021","0.0011","5.4894","0.0004","15.9041","0.0012","90","","113.345","0.001","90","","1218.55","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(1Z)-3-Oxobut-1-en-1-yl]amino}benzoate","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Chisholm, David R.; Valentine, Roy; Pohl, Ehmke; Whiting, Andrew","Conjugate Addition of 3-Buytn-2-one to Anilines in Ethanol: Alkene Geometric Insights through In Situ FTIR Monitoring.","The Journal of organic chemistry","2016","81","17","7557","7565","10.1021/acs.joc.6b01110","","x-ray","1.54178","CuKα","","0.0402","0.0399","","","0.1058","0.1062","","","","","","1.038","","","","has coordinates","235502","2020-10-21","18:00:00",""
"4036978","7.4228","0.0019","11.744","0.003","21.248","0.005","90","","90","","90","","1852.3","0.8","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N5 O6 -","- C18.001 H21 N5 O6 -","- C72.004 H84 N20 O24 -","4","1","","García-Arriaga, Marilyn; Hobley, Gerard; Rivera, José M","Structural Studies of Supramolecular G-Quadruplexes Formed from 8-Aryl-2'-deoxyguanosine Derivatives.","The Journal of organic chemistry","2016","81","14","6026","6035","10.1021/acs.joc.6b01113","","","0.71073","MoKα","","0.1814","0.0915","","","0.122","0.1398","","","","","","1.163","","","","has coordinates,has disorder","235504","2020-10-21","18:00:00",""
"4036979","14.2186","0.0009","18.7376","0.0012","19.3927","0.0012","104.395","0.002","91.811","0.002","92.565","0.002","4994.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O10 -","- C82 H62 N10 O10 -","- C164 H124 N20 O20 -","2","1","","Zhang, Rui-Feng; Hu, Wen-Jing; Liu, Yahu A.; Zhao, Xiao-Li; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A Shape-Persistent Cryptand for Capturing Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2016","81","13","5649","5654","10.1021/acs.joc.6b01115","","","0.71073","MoKα","","0.1846","0.1137","","","0.3174","0.3533","","","","","","0.978","","","","has coordinates","235506","2020-10-21","18:00:00",""
"4036980","14.259","0.003","18.033","0.003","20.014","0.004","65.263","0.003","87.57","0.003","73.367","0.003","4460.7","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H60 Cl6 N10 O10 -","- C73 H60 Cl6 N10 O10 -","- C146 H120 Cl12 N20 O20 -","2","1","","Zhang, Rui-Feng; Hu, Wen-Jing; Liu, Yahu A.; Zhao, Xiao-Li; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","A Shape-Persistent Cryptand for Capturing Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2016","81","13","5649","5654","10.1021/acs.joc.6b01115","","","0.71073","MoKα","","0.2215","0.1377","","","0.3548","0.405","","","","","","1.133","","","","has coordinates","235508","2020-10-21","18:00:00",""
"4036981","10.4424","0.0009","21.6082","0.0016","9.1581","0.0009","90","","109.547","0.004","90","","1947.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N3 O3 S -","- C20 H22 F N3 O3 S -","- C80 H88 F4 N12 O12 S4 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0482","0.0412","","","0.1017","0.1054","","","","","","1.074","","","","has coordinates","235510","2020-10-21","18:00:00",""
"4036982","9.5212","0.0003","45.993","0.0011","10.9044","0.0004","90","","112.281","0.004","90","","4418.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C216 H192 N24 O24 -","12","3","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.7107","MoKα","","0.0799","0.0667","","","0.1649","0.1697","","","","","","1.203","","","","has coordinates","235512","2020-10-21","18:00:00",""
"4036983","7.3361","0.0004","12.4151","0.0007","12.693","0.0007","104.52","0.002","93.01","0.002","98.217","0.002","1102.93","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 O4 S -","- C21 H25 Cl2 N3 O4 S -","- C42 H50 Cl4 N6 O8 S2 -","2","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0693","0.0597","","","0.1749","0.1842","","","","","","1.037","","","","has coordinates","235514","2020-10-21","18:00:00",""
"4036984","8.2348","0.0009","16.2497","0.0018","18.833","0.002","90","","90","","90","","2520.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N3 O7 S -","- C22 H26 F3 N3 O7 S -","- C88 H104 F12 N12 O28 S4 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0637","0.0437","","","0.1001","0.1082","","","","","","1.055","","","","has coordinates,has disorder","235516","2020-10-21","18:00:00",""
"4036985","16.845","0.002","10.5896","0.0013","16.493","0.002","90","","102.939","0.005","90","","2867.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 I N3 O5.5 S2 -","- C28 H30 I N3 O5.5 S2 -","- C112 H120 I4 N12 O22 S8 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0753","0.0462","","","0.1088","0.1229","","","","","","1.025","","","","has coordinates,has disorder","235518","2020-10-21","18:00:00",""
"4036986","9.2918","0.0005","20.7021","0.001","16.4894","0.0008","90","","98.469","0.002","90","","3137.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl2 I2 N3 O5 S2 -","- C27 H27 Cl2 I2 N3 O5 S2 -","- C108 H108 Cl8 I8 N12 O20 S8 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0682","0.0424","","","0.0929","0.1037","","","","","","1.058","","","","has coordinates,has disorder","235519","2020-10-21","18:00:00",""
"4036987","6.4015","0.0005","14.5239","0.0011","15.7276","0.0013","90","","93.4818","0.0015","90","","1459.6","0.2","191","2","191.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N3 O -","- C17 H14 Cl N3 O -","- C68 H56 Cl4 N12 O4 -","4","1","","Zhang, Qian; Yu, Mangfei; Yuan, Jingwen; Zhang, Rui; Liang, Yongjiu; Tian, Jiamei; Dong, Dewen","Formal [4 + 1] Annulation of α-Arylhydrazonoketones and Dimethylsulfoxonium Methylide: One-pot Synthesis of Substituted Pyrazoles and Dihydropyrazoles.","The Journal of organic chemistry","2016","81","14","6036","6041","10.1021/acs.joc.6b01127","","x-ray","0.71","MoKα","","0.0858","0.0567","","","0.1142","0.1279","","","","","","1.053","","","","has coordinates","235520","2020-10-21","18:00:00",""
"4036988","18.9453","0.0019","6.9618","0.0007","20.894","0.003","90","","90","","90","","2755.8","0.6","293","2","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 -","- C18 H11 N3 -","- C144 H88 N24 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Deb, Indubhusan","Ruthenium-Catalyzed Direct and Selective C-H Cyanation of N-(Hetero)aryl-7-azaindoles.","The Journal of organic chemistry","2016","81","15","6525","6534","10.1021/acs.joc.6b01148","","","0.71073","MoKα","","0.1657","0.0547","","","0.1316","0.1993","","","","","","0.92","","","","has coordinates","235522","2020-10-21","18:00:00",""
"4036989","8.3659","0.0017","11.415","0.002","12.415","0.003","110.78","0.03","90.62","0.03","106.74","0.03","1053","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C54 H42 N2 O4 -","2","1","","Wan, Jie-Ping; Jing, Yanfeng; Hu, Changfeng; Sheng, Shouri","Metal-Free Synthesis of Fully Substituted Pyridines via Ring Construction Based on the Domino Reactions of Enaminones and Aldehydes.","The Journal of organic chemistry","2016","81","15","6826","6831","10.1021/acs.joc.6b01149","","","0.71073","MoKα","","0.0796","0.0466","","","0.1205","0.1667","","","","","","1.14","","","","has coordinates","235523","2020-10-21","18:00:00",""
"4036990","5.3511","0.0009","22.84","0.004","23.657","0.004","66.346","0.002","83.962","0.002","89.04","0.002","2632.7","0.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H68 N4 O5 -","- C65 H68 N4 O5 -","- C130 H136 N8 O10 -","2","1","","Ikeda, Toshiaki; Iijima, Tatsuya; Sekiya, Ryo; Takahashi, Osamu; Haino, Takeharu","Cooperative Self-Assembly of Carbazole Derivatives Driven by Multiple Dipole-Dipole Interactions.","The Journal of organic chemistry","2016","81","15","6832","6837","10.1021/acs.joc.6b01169","","","0.71073","MoKα","","0.1293","0.0623","","","0.1544","0.1791","","","","","","1.061","","","","has coordinates,has disorder","235525","2020-10-21","18:00:00",""
"4036991","19.9936","0.0016","7.5823","0.0006","20.3944","0.0018","90","","91.36","0.002","90","","3090.9","0.4","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F3 N O4 S3 -","- C13 H10 F3 N O4 S3 -","- C104 H80 F24 N8 O32 S24 -","8","2","","Zhang, Panpan; Li, Man; Xue, Xiao-Song; Xu, Chunfa; Zhao, Qunchao; Liu, Yafei; Wang, Haoyang; Guo, Yinlong; Lu, Long; Shen, Qilong","N-Trifluoromethylthio-dibenzenesulfonimide: A Shelf-Stable, Broadly Applicable Electrophilic Trifluoromethylthiolating Reagent.","The Journal of organic chemistry","2016","81","17","7486","7509","10.1021/acs.joc.6b01178","","","0.71073","MoKα","","0.0892","0.0469","","","0.0934","0.1092","","","","","","1.012","","","","has coordinates","235526","2020-10-21","18:00:00",""
"4036992","10.8737","0.0008","11.5374","0.0007","12.6318","0.0009","90","","91.379","0.007","90","","1584.25","0.19","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.06","0.0379","","","0.0715","0.0739","","","","","","1.004","","","","has coordinates","235528","2020-10-21","18:00:00",""
"4036993","6.6638","0.0003","6.7128","0.0004","23.7243","0.0011","83.956","0.004","87.265","0.004","61.768","0.005","929.81","0.09","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl2 F O5 -","- C21 H17 Cl2 F O5 -","- C42 H34 Cl4 F2 O10 -","2","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.0458","0.0405","","","0.1044","0.1077","","","","","","1.087","","","","has coordinates","235530","2020-10-21","18:00:00",""
"4036994","8.8789","0.0005","11.4732","0.0007","12.3178","0.0007","90","","90.436","0.005","90","","1254.77","0.13","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Schröder, Peter; Bauer, Jonathan O.; Strohmann, Carsten; Kumar, Kamal; Waldmann, Herbert","Synthesis of an Iridoid-Inspired Compound Collection and Discovery of Autophagy Inhibitors.","The Journal of organic chemistry","2016","81","21","10242","10255","10.1021/acs.joc.6b01185","","","0.71073","MoKα","","0.0594","0.0389","","","0.093","0.0968","","","","","","1.007","","","","has coordinates","235532","2020-10-21","18:00:00",""
"4036995","5.7496","0.0005","14.9245","0.0015","15.4463","0.0015","99.866","0.009","93.978","0.008","96.051","0.008","1293.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","2","","Saunthwal, Rakesh K.; Patel, Monika; Verma, Akhilesh K.","Regioselective Synthesis of C-3-Functionalized Quinolines via Hetero-Diels-Alder Cycloaddition of Azadienes with Terminal Alkynes.","The Journal of organic chemistry","2016","81","15","6563","6572","10.1021/acs.joc.6b01186","","","0.71073","MoKα","","0.1587","0.0805","","","0.1942","0.2319","","","","","","1.029","","","","has coordinates","235533","2020-10-21","18:00:00",""
"4036996","8.517","0.005","6.258","0.003","18.063","0.009","90","","102.457","0.006","90","","940.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 O2 P S -","- C17 H27 O2 P S -","- C34 H54 O4 P2 S2 -","2","1","","Wang, Wei-Min; Liu, Li-Juan; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Zhao, Chang-Qiu; Xu, Qing; Han, Li-Biao","Stereospecific Preparations of P-Stereogenic Phosphonothioates and Phosphonoselenoates.","The Journal of organic chemistry","2016","81","15","6843","6847","10.1021/acs.joc.6b01192","","","0.71073","MoKα","","0.0774","0.0536","","","0.1095","0.1229","","","","","","1.068","","","","has coordinates","235535","2020-10-21","18:00:00",""
"4036997","8.7872","0.0005","18.8893","0.0011","26.3974","0.0015","90","","90","","90","","4381.5","0.4","291.98","0.1","291.98","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl2 N Rh -","- C24 H26 Cl2 N Rh -","- C192 H208 Cl16 N8 Rh8 -","8","1","","Huang, Qiufeng; Han, Qingshuai; Fu, Shurong; Yao, Zizhu; Su, Lv; Zhang, Xiaofeng; Lin, Shen; Xiang, Shengchang","Rhodium-Catalyzed NH-Indole-Directed C-H Carbonylation with Carbon Monoxide: Synthesis of 6H-Isoindolo[2,1-a]indol-6-ones.","The Journal of organic chemistry","2016","81","24","12135","12142","10.1021/acs.joc.6b01200","","x-ray","1.54184","CuKα","","0.15","0.061","","","0.0822","0.1098","","","","","","1.016","","","","has coordinates","235537","2020-10-21","18:00:00",""
"4036998","21.1977","0.0011","8.1725","0.0004","18.3385","0.0008","90","","116.146","0.002","90","","2851.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 I N2 O -","- C17 H11 I N2 O -","- C136 H88 I8 N16 O8 -","8","1","","Giardinetti, Maxime; Marrot, Jérôme; Moreau, Xavier; Coeffard, Vincent; Greck, Christine","Asymmetric Synthesis of Fused Polycyclic Indazoles through Aminocatalyzed Aza-Michael Addition/Intramolecular Cyclization.","The Journal of organic chemistry","2016","81","15","6855","6861","10.1021/acs.joc.6b01201","","","0.71073","MoKα","","0.0409","0.0352","","","0.0903","0.1039","","","","","","1.203","","","","has coordinates","235538","2020-10-21","18:00:00",""
"4036999","25.615","0.003","9.9269","0.0012","24.134","0.003","90","","91.404","0.002","90","","6134.9","1.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 I2 -","- C18 H16 I2 -","- C288 H256 I32 -","16","2","","Herres, Joseph P.; Moran, Caitlin A.; Forman, Mark A.; Hall, James E.; McCauley, Jr, John P; Pivonka, Don E.; Wesolowski, Steven S.","Structures and Rotational Barriers of a Diiodobinorsnoutane: Energetic Preference for Gauche Conformation.","The Journal of organic chemistry","2016","81","15","6862","6866","10.1021/acs.joc.6b01204","","","0.71073","MoKα","","0.0382","0.0319","","","0.078","0.0817","","","","","","1.015","","","","has coordinates","235540","2020-10-21","18:00:00",""
"4037000","14.0381","0.0011","14.1845","0.0011","14.876","0.0012","80.151","0.005","62.153","0.005","63.603","0.004","2343.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 B2 N4 O2 -","- C56 H58 B2 N4 O2 -","- C112 H116 B4 N8 O4 -","2","1","","Tasior, Mariusz; Gryko, Daniel T.","Synthesis and Properties of Ladder-Type BN-Heteroacenes and Diazabenzoindoles Built on a Pyrrolopyrrole Scaffold.","The Journal of organic chemistry","2016","81","15","6580","6586","10.1021/acs.joc.6b01209","","","1.54178","CuKα","","0.1466","0.0869","","","0.2108","0.2295","","","","","","1.066","","","","has coordinates,has disorder","235542","2020-10-21","18:00:00",""
"4037001","9.5835","0.0013","10.586","0.002","11.7122","0.0018","95.186","0.015","94.476","0.012","102.71","0.014","1148.5","0.3","293.42","0.1","293.42","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl2 N0.5 O2 S -","- C24 H23 Cl N2 O2 S2 -","- C48 H46 Cl2 N4 O4 S4 -","2","1","","Xie, Ting; Xiao, Yu; Zhao, Shuai; Hu, Xiu-Qin; Xu, Peng-Fei","Catalyst-Free Chemoselective Synthesis of 3,4-Dihydroquinazoline-2-thiones and 2-Imino[1,3]benzothiazines.","The Journal of organic chemistry","2016","81","21","10499","10505","10.1021/acs.joc.6b01232","","x-ray","0.71073","MoKα","","0.097","0.056","","","0.1153","0.1475","","","","","","1.048","","","","has coordinates","235543","2020-10-21","18:00:00",""
"4037002","7.0643","0.001","19.913","0.004","13.651","0.002","90","","101.208","0.015","90","","1883.7","0.5","295.38","0.1","295.38","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br N2 O S -","- C22 H17 Br N2 O S -","- C88 H68 Br4 N8 O4 S4 -","4","1","","Xie, Ting; Xiao, Yu; Zhao, Shuai; Hu, Xiu-Qin; Xu, Peng-Fei","Catalyst-Free Chemoselective Synthesis of 3,4-Dihydroquinazoline-2-thiones and 2-Imino[1,3]benzothiazines.","The Journal of organic chemistry","2016","81","21","10499","10505","10.1021/acs.joc.6b01232","","x-ray","0.71073","MoKα","","0.1775","0.0594","","","0.121","0.1346","","","","","","0.734","","","","has coordinates","235545","2020-10-21","18:00:00",""
"4037003","8.3265","0.0002","10.1974","0.0003","38.2435","0.0016","90","","90","","90","","3247.2","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O7 S -","- C30 H41 N3 O7 S -","- C120 H164 N12 O28 S4 -","4","1","","Huang, Hong-Xiu; Wang, Hui-Jing; Tan, Ling; Wang, Shu-Qing; Tang, Pei; Song, Hao; Liu, Xiao-Yu; Zhang, Dan; Qin, Yong","Asymmetric Michael Addition Induced by (R)-tert-Butanesulfinamide and Syntheses of Chiral Pyrazolidinone Derivatives.","The Journal of organic chemistry","2016","81","21","10506","10516","10.1021/acs.joc.6b01237","","x-ray","0.71073","MoKα","","0.0897","0.0667","","","0.1858","0.2072","","","","","","1.041","","","","has coordinates,has disorder","235546","2020-10-21","18:00:00",""
"4037004","14.6277","0.0013","11.2274","0.001","9.0326","0.0007","90","","92.402","0.004","90","","1482.1","0.2","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-2-(1-(p-tolyl)vinyl)quinazolin-4(3H)-one","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.0719","0.0451","","","0.1135","0.1377","","","","","","1.03","","","","has coordinates","235548","2020-10-21","18:00:00",""
"4037005","12.154","0.005","22.713","0.008","8.812","0.003","90","","100.95","0.02","90","","2388.3","1.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[1-(2-methyl-1,1-dioxido-4-tosyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazin-3-yl)vinyl]benzoate","","- C25 H24 N2 O6 S2 -","- C25 H24 N2 O6 S2 -","- C100 H96 N8 O24 S8 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.1002","0.054","","","0.1442","0.1713","","","","","","0.941","","","","has coordinates","235550","2020-10-21","18:00:00",""
"4037006","8.0522","0.0011","11.3712","0.0017","12.2775","0.0019","82.627","0.01","81.964","0.01","77.726","0.009","1082","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","3-methyl-2-(1-phenylvinyl)-1-tosyl-2,3-dihydroquinazolin-4(1H)-one","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","","0.71073","MoKα","","0.1128","0.0511","","","0.1313","0.1597","","","","","","0.992","","","","has coordinates","235552","2020-10-21","18:00:00",""
"4037007","7.0264","0.0013","14.456","0.003","15.504","0.003","90","","93.11","0.012","90","","1572.5","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 4-(1-(3-methyl-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)vinyl)benzoate","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Kundu, Priyanka; Mondal, Amrita; Chowdhury, Chinmay","A Palladium-Catalyzed Method for the Synthesis of 2-(α-Styryl)-2,3-dihydroquinazolin-4-ones and 3-(α-Styryl)-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide: Access to 2-(α-Styryl)quinazolin-4(3H)-ones and 3-(α-Styryl)-1,2,4-benzothiadiazine-1,1-dioxides.","The Journal of organic chemistry","2016","81","15","6596","6608","10.1021/acs.joc.6b01242","","x-ray","0.71073","MoKα","","0.0718","0.0458","","","0.1105","0.1281","","","","","","1.027","","","","has coordinates","235553","2020-10-21","18:00:00",""
"4037008","7.9587","0.0006","9.949","0.0009","10.9208","0.001","112.261","0.008","103.489","0.007","90.299","0.007","773.98","0.13","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Synthesis of Aminobenzoic Acid Derivatives via Chemoselective Carbene Insertion into the -NH Bond Catalyzed by Cu(I) Complex.","The Journal of organic chemistry","2016","81","15","6609","6616","10.1021/acs.joc.6b01249","","","0.71073","MoKα","","0.1049","0.0644","","","0.1557","0.1828","","","","","","1.0978","","","","has coordinates","235555","2020-10-21","18:00:00",""
"4037009","20.851","0.004","7.341","0.002","20.98","0.004","90","","108.138","0.012","90","","3051.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","2","","Dong, Wuheng; Hu, Bei; Gao, Xiaoshuang; Li, Yuyuan; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Photocatalytic Aerobic Oxidation/Povarov Cyclization Reaction: Synthesis of Substituted Quinoline-Fused Lactones.","The Journal of organic chemistry","2016","81","19","8770","8776","10.1021/acs.joc.6b01253","","","1.54178","CuKα","","0.0468","0.043","","","0.1153","0.1187","","","","","","1.055","","","","has coordinates","235557","2020-10-21","18:00:00",""
"4037010","13.1126","0.0011","6.5684","0.0006","13.1785","0.0011","90","","90.335","0.002","90","","1135.03","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br O3 S2 -","- C9 H11 Br O3 S2 -","- C36 H44 Br4 O12 S8 -","4","1","","Acosta, Jaime A. M.; Muddala, Ramesh; Barbosa, Luiz C. A.; Boukouvalas, John","Total Synthesis of the Antitumor Antibiotic Basidalin.","The Journal of organic chemistry","2016","81","15","6883","6886","10.1021/acs.joc.6b01255","","x-ray","1.34139","GaKα","","0.0272","0.0272","","","0.07","0.07","","","","","","1.193","","","","has coordinates","235559","2020-10-21","18:00:00",""
"4037011","8.309","0.01","9.627","0.011","19.08","0.02","90","","90","","90","","1526","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H8 N6 -","- C5 H8 N6 -","- C40 H64 N48 -","8","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0528","0.0425","","","0.1255","0.1352","","","","","","1.016","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037012","8.887","0.017","10.048","0.019","12.94","0.02","104.87","0.02","101.59","0.03","111.32","0.03","983","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.1017","0.082","","","0.2138","0.2318","","","","","","0.992","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037013","7.446","0.0013","11.786","0.002","21.591","0.004","90","","90","","90","","1894.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N4 O3 -","- C19 H23 Cl N4 O3 -","- C76 H92 Cl4 N16 O12 -","4","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0417","0.037","","","0.0981","0.1016","","","","","","1.041","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037014","6.0626","0.0011","8.9367","0.0017","18.296","0.003","92.163","0.006","94.933","0.006","94.674","0.006","983.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl N O2 -","- C25 H18 Cl N O2 -","- C50 H36 Cl2 N2 O4 -","2","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1611","0.0636","","","0.1087","0.1337","","","","","","1.002","","","","has coordinates","235562","2020-10-21","18:00:00",""
"4037015","16.523","0.0008","5.8117","0.0003","21.7152","0.001","90","","103.099","0.002","90","","2030.98","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C104 H84 N4 O4 -","4","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1182","0.0506","","","0.1212","0.1508","","","","","","1.019","","","","has coordinates","235563","2020-10-21","18:00:00",""
"4037016","6.0958","0.0013","8.9005","0.0018","18.462","0.004","91.851","0.006","94.524","0.007","94.956","0.007","994","0.4","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br2 N O2 -","- C24 H15 Br2 N O2 -","- C48 H30 Br4 N2 O4 -","2","1","","Liu, Jiaming; Ye, Weijian; Qing, Xushun; Wang, Cunde","Solvent-Free DABCO-Mediated [3 + 2] Cycloadditions of Donor-Acceptor Cyclopropanes with Aldehydes: Strategy for Synthesis of Fully Substituted Furans.","The Journal of organic chemistry","2016","81","17","7970","7976","10.1021/acs.joc.6b01259","","","0.71073","MoKα","","0.1815","0.0673","","","0.1134","0.1395","","","","","","1.006","","","","has coordinates","235564","2020-10-21","18:00:00",""
"4037017","30.463","0.006","6.3598","0.0012","26.835","0.006","90","","112.063","0.009","90","","4818.3","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H63 Br O7 -","- C46 H63 Br O7 -","- C184 H252 Br4 O28 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.1023","0.0614","","","0.1532","0.1702","","","","","","0.928","","","","has coordinates","235566","2020-10-21","18:00:00",""
"4037018","7.686","0.0015","13.076","0.003","28.097","0.006","90","","90","","90","","2823.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","1.54178","CuKα","","0.0439","0.0428","","","0.1173","0.1187","","","","","","1.047","","","","has coordinates","235568","2020-10-21","18:00:00",""
"4037019","12.9119","0.0015","13.725","0.0017","16.0531","0.0019","90","","90","","90","","2844.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O5 -","- C30 H52 O5 -","- C120 H208 O20 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.0632","0.0518","","","0.1267","0.1348","","","","","","1.033","","","","has coordinates","235569","2020-10-21","18:00:00",""
"4037020","19.0891","0.0019","10.1206","0.001","9.764","0.001","90","","95.083","0.005","90","","1878.9","0.3","190","2","190.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl N2 O -","- C20 H31 Cl N2 O -","- C80 H124 Cl4 N8 O4 -","4","1","","Lansakara, Ashabha I.; Mariappan, S. V. Santhana; Pigge, F. Christopher","Alkylidene Dihydropyridines As Synthetic Intermediates: Model Studies toward the Synthesis of the Bis(piperidine) Alkaloid Xestoproxamine C.","The Journal of organic chemistry","2016","81","21","10266","10278","10.1021/acs.joc.6b01269","","","0.71073","MoKα","","0.0625","0.0541","","","0.1524","0.1602","","","","","","1.068","","","","has coordinates","235571","2020-10-21","18:00:00",""
"4037021","8.1814","0.0003","6.3315","0.0003","16.7915","0.0011","90","","92.691","0.004","90","","868.85","0.08","190","2","190","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O8 -","- C19 H20 N2 O8 -","- C38 H40 N4 O16 -","2","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Bernhardt, Paul V.; Capon, Robert J.","Fungal Biotransformation of Tetracycline Antibiotics.","The Journal of organic chemistry","2016","81","15","6186","6194","10.1021/acs.joc.6b01272","","x-ray","1.54184","CuKα","","0.0465","0.0412","","","0.102","0.1237","","","","","","1.149","","","","has coordinates","235573","2020-10-21","18:00:00",""
"4037022","9.24482","0.00004","13.77957","0.00005","18.20928","0.00009","90","","90","","90","","2319.67","0.017","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N4 O4 -","- C23 H32 N4 O4 -","- C92 H128 N16 O16 -","4","1","","Pancholi, Alpa K.; Geden, Joanna V.; Clarkson, Guy J.; Shipman, Michael","Asymmetric Synthesis of 2-Substituted Azetidin-3-ones via Metalated SAMP/RAMP Hydrazones.","The Journal of organic chemistry","2016","81","17","7984","7992","10.1021/acs.joc.6b01284","","x-ray","1.54184","CuKα","","0.0287","0.0283","","","0.0723","0.0727","","","","","","1.039","","","","has coordinates","235575","2020-10-21","18:00:00",""
"4037023","23.5029","0.0003","23.79","0.0003","24.7243","0.0003","90","","107.408","0.002","90","","13191","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H72 Cl N21 O14.5 -","- C50.5005 H72.002 Cl N21 O14.5005 -","- C404.004 H576.016 Cl8 N168 O116.004 -","8","2","","Ustrnul, Lukas; Babiak, Michal; Kulhanek, Petr; Sindelar, Vladimir","A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.","The Journal of organic chemistry","2016","81","14","6075","6080","10.1021/acs.joc.6b01288","","","0.71075","MolybdenumKα","","0.0687","0.0592","","","0.1736","0.1814","","","","","","0.981","","","","has coordinates,has disorder","235577","2020-10-21","18:00:00",""
"4037024","12.8019","0.0003","18.7511","0.0005","26.0731","0.0006","85.372","0.002","79.229","0.002","89.774","0.002","6128.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H54 N20 O10 -","- C42 H54 N20 O10 -","- C168 H216 N80 O40 -","4","2","","Ustrnul, Lukas; Babiak, Michal; Kulhanek, Petr; Sindelar, Vladimir","A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.","The Journal of organic chemistry","2016","81","14","6075","6080","10.1021/acs.joc.6b01288","","","0.71075","MolybdenumKα","","0.0913","0.066","","","0.1717","0.1843","","","","","","1.029","","","","has coordinates","235579","2020-10-21","18:00:00",""
"4037025","5.458","0.002","17.775","0.007","20.714","0.008","90","","94.07","0.007","90","","2004.5","1.3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C92 H84 N20 O8 -","4","1","","Yang, Wenjun; Yuan, Chunhao; Liu, Yang; Mao, Biming; Sun, Zhanhu; Guo, Hongchao","[4 + 3] Cycloaddition of Phthalazinium Dicyanomethanides with Azoalkenes Formed in Situ: Synthesis of Triazepine Derivatives.","The Journal of organic chemistry","2016","81","17","7597","7603","10.1021/acs.joc.6b01296","","","0.71073","MoKα","","0.1044","0.0837","","","0.1336","0.1445","","","","","","1.21","","","","has coordinates","235581","2020-10-21","18:00:00",""
"4037026","24.524","0.003","7.0624","0.0009","19.532","0.003","90","","112.705","0.002","90","","3120.7","0.7","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 O4 S -","- C16 H12 N4 O4 S -","- C128 H96 N32 O32 S8 -","8","2","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.1344","0.0558","","","0.1104","0.1366","","","","","","1.033","","","","has coordinates","235582","2020-10-21","18:00:00",""
"4037027","7.489","0.003","9.986","0.004","21.492","0.009","90","","91.551","0.01","90","","1606.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br2 N3 O2 S -","- C15 H9 Br2 N3 O2 S -","- C60 H36 Br8 N12 O8 S4 -","4","1","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.0542","0.0354","","","0.0806","0.0878","","","","","","1.019","","","","has coordinates","235583","2020-10-21","18:00:00",""
"4037028","7.2909","0.0007","11.6393","0.0012","13.0096","0.0012","90","","103.522","0.002","90","","1073.4","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O2 S2 -","- C9 H7 N3 O2 S2 -","- C36 H28 N12 O8 S8 -","4","1","","Feng, Yian; Zou, Minming; Song, Runjiang; Shao, Xusheng; Li, Zhong; Qian, Xuhong","Formation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives.","The Journal of organic chemistry","2016","81","21","10321","10327","10.1021/acs.joc.6b01307","","","0.71073","MoKα","","0.0698","0.0618","","","0.1656","0.1724","","","","","","1.098","","","","has coordinates","235584","2020-10-21","18:00:00",""
"4037029","5.641","0.002","8.206","0.003","10.243","0.004","90","","94.7605","0.001","90","","472.5","0.3","93","","93","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C18 H22 N2 O4 S2 -","2","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","0.71075","MoKα","","0.0419","0.041","","","0.1034","0.1038","","","","","","0.997","","","","has coordinates","235585","2020-10-21","18:00:00",""
"4037030","10.368","0.003","5.8288","0.0013","15.852","0.004","90","","103.897","0.007","90","","929.9","0.4","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C36 H44 N4 O8 S4 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","1.54187","CuKα","","0.0296","0.029","","","0.079","0.0795","","","","","","1.06","","","","has coordinates","235586","2020-10-21","18:00:00",""
"4037031","10.8788","0.0009","17.3089","0.0014","21.8706","0.001","90","","99.715","0.006","90","","4059.2","0.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N9 O8 S2 -","- C36 H33 N9 O8 S2 -","- C144 H132 N36 O32 S8 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","1.54187","CuKα","","0.1693","0.1237","","","0.3559","0.3882","","","","","","1.303","","","","has coordinates","235587","2020-10-21","18:00:00",""
"4037032","12.395","0.004","6.2567","0.0017","19.489","0.006","90","","95.322","0.005","90","","1504.9","0.8","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl4 N O2 S -","- C13 H11 Cl4 N O2 S -","- C52 H44 Cl16 N4 O8 S4 -","4","1","","Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z.","Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.","The Journal of organic chemistry","2016","81","21","10527","10531","10.1021/acs.joc.6b01309","","","0.71075","MoKα","","0.061","0.0485","","","0.0981","0.1114","","","","","","0.932","","","","has coordinates","235588","2020-10-21","18:00:00",""
"4037033","10.5994","0.0011","11.0901","0.0013","18.718","0.002","81.304","0.009","87.027","0.009","73.828","0.01","2088.8","0.4","293.64","0.1","293.64","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Br N2 O3 S -","- C21 H17 Br N2 O3 S -","- C84 H68 Br4 N8 O12 S4 -","4","2","","Zhao, Yuan-Yuan; Zhao, Shuai; Xie, Ji-Kang; Hu, Xiu-Qin; Xu, Peng-Fei","Synthesis of Spirocyclic Oxindole Dihydrothiophenes by DBU-Catalyzed [3 + 2] Annulation of Morita-Baylis-Hillman Carbonates with Isothiocyanates.","The Journal of organic chemistry","2016","81","21","10532","10537","10.1021/acs.joc.6b01315","","x-ray","0.71073","MoKα","","0.2332","0.0675","","","0.0835","0.131","","","","","","0.947","","","","has coordinates","235589","2020-10-21","18:00:00",""
"4037034","10.6291","0.0003","11.8059","0.0005","13.0252","0.0005","69.939","0.004","76.544","0.003","69.975","0.003","1430.14","0.1","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 B N4 -","- C36 H37 B N4 -","- C72 H74 B2 N8 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0483","0.0439","","","0.1173","0.124","","","","","","1.027","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037035","8.96475","0.00011","11.16288","0.00014","15.6791","0.00016","90","","102.308","0.0011","90","","1532.98","0.03","220.01","0.1","220.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F6 N4 P -","- C12 H17 F6 N4 P -","- C48 H68 F24 N16 P4 -","4","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0541","0.0516","","","0.1428","0.1464","","","","","","1.056","","","","has coordinates,has disorder","235591","2020-10-21","18:00:00",""
"4037036","10.4939","0.0004","10.7181","0.0004","17.7859","0.0007","97.607","0.003","99.959","0.003","113.378","0.004","1763.31","0.14","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C43 H48 B N7 -","- C43 H48 B N7 -","- C86 H96 B2 N14 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0423","0.0403","","","0.104","0.106","","","","","","1.037","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037037","14.8866","0.0004","21.6382","0.0005","26.3236","0.0007","82.288","0.002","74.892","0.002","88.82","0.002","8111.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C201 H207 B6 N21 -","- C201 H207 B6 N21 -","- C402 H414 B12 N42 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","x-ray","1.54184","CuKα","","0.0913","0.0646","","","0.1605","0.1837","","","","","","1.06","","","","has coordinates,has disorder","235591","2020-10-21","18:00:00",""
"4037038","10.6291","0.0003","11.8059","0.0005","13.0252","0.0005","69.939","0.004","76.544","0.003","69.975","0.003","1430.14","0.1","120","","120","","","","101","","","","","4","P -1","-P 1","2","","","","- C36 H37 B N4 -","- C36 H37 B N4 -","- C72 H74 B2 N8 -","2","1","","Schwamm, Ryan J.; Vianello, Robert; Maršavelski, Aleksandra; García, M Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Saame, Jaan; Leito, Ivo; Fitchett, Christopher M.; Edwards, Alison J.; Coles, Martyn P.","(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.","The Journal of organic chemistry","2016","81","17","7612","7625","10.1021/acs.joc.6b01330","","neutron","0.85","neutron","","0.1114","0.0721","","0.0793","0.0531","0.0467","","","","","","1.0894","","","","has coordinates","235591","2020-10-21","18:00:00",""
"4037039","10.1677","0.0006","10.2037","0.0005","10.2235","0.0006","90","","111.168","0.002","90","","989.1","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","- C42 H66 N2 O6 -","1","0.5","","Buter, Jeffrey; Heijnen, Dorus; Wan, Ieng Chim; Bickelhaupt, F. Matthias; Young, David C.; Otten, Edwin; Moody, D. Branch; Minnaard, Adriaan J.","Stereoselective Synthesis of 1-Tuberculosinyl Adenosine; a Virulence Factor of Mycobacterium tuberculosis.","The Journal of organic chemistry","2016","81","15","6686","6696","10.1021/acs.joc.6b01332","","","0.71073","MoKα","","0.0463","0.0404","","","0.0963","0.1007","","","","","","1.051","","","","has coordinates","235593","2020-10-21","18:00:00",""
"4037040","4.25027","0.00012","29.614","0.0005","10.3858","0.0002","90","","100.939","0.003","90","","1283.48","0.05","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0376","0.0361","","","0.0966","0.0983","","","","","","1.065","","","","has coordinates","235595","2020-10-21","18:00:00",""
"4037041","9.9767","0.0002","11.8794","0.0002","11.9166","0.0003","90","","110.522","0.003","90","","1322.69","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.042","0.0357","","","0.091","0.0959","","","","","","1.066","","","","has coordinates","235596","2020-10-21","18:00:00",""
"4037042","11.2968","0.0004","10.0528","0.0003","11.7838","0.0004","90","","106.701","0.004","90","","1281.77","0.08","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0437","0.0358","","","0.0852","0.0909","","","","","","1.052","","","","has coordinates","235597","2020-10-21","18:00:00",""
"4037043","6.4205","0.0003","11.7811","0.0006","14.1339","0.0006","90","","90","","90","","1069.1","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0335","0.0305","","","0.0767","0.0791","","","","","","1.054","","","","has coordinates","235598","2020-10-21","18:00:00",""
"4037044","7.7814","0.0004","9.8387","0.0004","12.3163","0.0006","90.726","0.003","99.896","0.002","108.482","0.002","878.7","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Wang, Chao-Ming; Xiao, Jun-An; Wang, Jing; Wang, Sha-Sha; Deng, Zhao-Xu; Yang, Hua","Organocatalytic Enantioselective Conjugate Addition of Azlactones to Enolizable Linear and Cyclic Enones.","The Journal of organic chemistry","2016","81","17","8001","8008","10.1021/acs.joc.6b01356","","","0.71073","MoKα","","0.0536","0.0406","","","0.1096","0.1187","","","","","","1.031","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037045","6.2258","0.0003","12.6033","0.0005","15.3627","0.0006","106.18","0.001","93.364","0.001","98.321","0.001","1139.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 O2 Si -","- C27 H30 O2 Si -","- C54 H60 O4 Si2 -","2","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.0552","0.0428","","","0.1027","0.11","","","","","","1.02","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037046","6.1609","0.0003","13.353","0.0006","18.5067","0.0008","90","","92.234","0.001","90","","1521.32","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O3 Si2 -","- C33 H44 O3 Si2 -","- C66 H88 O6 Si4 -","2","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.0955","0.0539","","","0.0931","0.1052","","","","","","1.015","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037047","7.605","0.002","10.832","0.003","31.237","0.009","99.565","0.005","94.919","0.005","91.051","0.005","2526.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 O2 Si -","- C31 H30 O2 Si -","- C124 H120 O8 Si4 -","4","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.1904","0.1434","","","0.3606","0.4022","","","","","","1.03","","","","has coordinates,has disorder","235601","2020-10-21","18:00:00",""
"4037048","34.657","0.002","6.6454","0.0004","29.863","0.002","90","","94.62","0.002","90","","6855.4","0.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C37 H46 O3 Si2 -","- C37 H46 O3 Si2 -","- C296 H368 O24 Si16 -","8","2","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Fluoride-Triggered Ring-Opening of Photochromic Diarylpyrans into Merocyanine Dyes: Naked-Eye Sensing in Subppm Levels.","The Journal of organic chemistry","2016","81","17","7741","7750","10.1021/acs.joc.6b01361","","","0.71073","MoKα","","0.3461","0.1199","","","0.2142","0.2936","","","","","","1.011","","","","has coordinates","235601","2020-10-21","18:00:00",""
"4037049","8.7702","0.0005","11.1933","0.0007","18.6003","0.001","87.138","0.003","89.981","0.003","89.511","0.003","1823.6","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 F N2 O4 S2 -","- C17 H21 F N2 O4 S2 -","- C68 H84 F4 N8 O16 S8 -","4","2","","Le Guen, Clothilde; Tran Do, Minh-Loan; Chardon, Aurélien; Lebargy, Cyril; Lohier, Jean-François; Pfund, Emmanuel; Lequeux, Thierry","Access to Fluoropyrrolidines by Intramolecular Aza-Michael Addition Reaction.","The Journal of organic chemistry","2016","81","15","6714","6720","10.1021/acs.joc.6b01363","","","0.71073","MoKα","","0.1028","0.0919","","","0.1976","0.2025","","","","","","1.178","","","","has coordinates,has disorder","235602","2020-10-21","18:00:00",""
"4037050","12.6636","0.0003","15.0363","0.0003","10.1827","0.0002","90","","106.353","0.001","90","","1860.49","0.07","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(Fluoro-2-benzothiazolylsulfonyl)-ethyl]-1-benzylpyrrolidine","","- C19 H19 F N2 O2 S2 -","- C19 H19 F N2 O2 S2 -","- C76 H76 F4 N8 O8 S8 -","4","1","","Le Guen, Clothilde; Tran Do, Minh-Loan; Chardon, Aurélien; Lebargy, Cyril; Lohier, Jean-François; Pfund, Emmanuel; Lequeux, Thierry","Access to Fluoropyrrolidines by Intramolecular Aza-Michael Addition Reaction.","The Journal of organic chemistry","2016","81","15","6714","6720","10.1021/acs.joc.6b01363","","","0.71073","MoKα","","0.0664","0.0456","","","0.1204","0.1376","","","","","","1.034","","","","has coordinates","235603","2020-10-21","18:00:00",""
"4037051","7.5585","0.0002","7.1426","0.0002","19.836","0.0005","90","","97.549","0.002","90","","1061.61","0.05","218","2","218","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C40 H58 N2 O14 -","2","1","","Runyon, Scott P.; Kormos, Chad M.; Gichinga, Moses G.; Mascarella, S. Wayne; Navarro, Hernán A; Deschamps, Jeffrey R.; Imler, Gregory H.; Carroll, F. Ivy","Design, Synthesis, and Biological Evaluation of Structurally Rigid Analogues of 4-(3-Hydroxyphenyl)piperidine Opioid Receptor Antagonists.","The Journal of organic chemistry","2016","81","21","10383","10391","10.1021/acs.joc.6b01366","","","0.71073","MoKα","","0.0681","0.0463","","","0.1086","0.128","","","","","","1.094","","","","has coordinates,has disorder","235604","2020-10-21","18:00:00",""
"4037052","7.9239","0.0003","16.055","0.0007","8.1077","0.0004","90","","100.693","0.002","90","","1013.54","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Runyon, Scott P.; Kormos, Chad M.; Gichinga, Moses G.; Mascarella, S. Wayne; Navarro, Hernán A; Deschamps, Jeffrey R.; Imler, Gregory H.; Carroll, F. Ivy","Design, Synthesis, and Biological Evaluation of Structurally Rigid Analogues of 4-(3-Hydroxyphenyl)piperidine Opioid Receptor Antagonists.","The Journal of organic chemistry","2016","81","21","10383","10391","10.1021/acs.joc.6b01366","","","1.54178","CuKα","","0.1007","0.0778","","","0.2475","0.2697","","","","","","1.148","","","","has coordinates","235605","2020-10-21","18:00:00",""
"4037053","12.3522","0.0003","12.7928","0.0004","13.7288","0.0005","90","","90","","90","","2169.41","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Psychrophilin E","N-(2,10,16-trioxo-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaen-17-yl)acetamide","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Ngen, Sarah T. Y.; Kaur, Harveen; Hume, Paul A.; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of Psychrophilin E.","The Journal of organic chemistry","2016","81","17","7635","7643","10.1021/acs.joc.6b01369","","","0.71073","MoKα","","0.0815","0.0501","","","0.0955","0.1084","","","","","","0.98","","","","has coordinates","235606","2020-10-21","18:00:00",""
"4037054","5.9316","0.0003","16.4646","0.001","29.5614","0.0018","90","","90","","90","","2887","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 O3 P -","- C32 H39 O3 P -","- C128 H156 O12 P4 -","4","1","","Wang, Ji-Ping; Nie, Shao-Zhen; Zhou, Zhong-Yang; Ye, Jing-Jing; Wen, Jing-Hong; Zhao, Chang-Qiu","Preparation of Optically Pure Tertiary Phosphine Oxides via the Addition of P-Stereogenic Secondary Phosphine Oxide to Activated Alkenes.","The Journal of organic chemistry","2016","81","17","7644","7653","10.1021/acs.joc.6b01371","","","1.54184","CuKα","","0.1244","0.0628","","","0.1208","0.1419","","","","","","1.03","","","","has coordinates","235607","2020-10-21","18:00:00",""
"4037055","15.6549","0.0014","18.478","0.0018","21.6785","0.0019","90","","96.588","0.001","90","","6229.6","1","298","2","298","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C60.5 H57 Br Cl7 N6 Ni O4 P -","- C242 H228 Br4 Cl28 N24 Ni4 O16 P4 -","4","1","","Zhang, Haowei; Yang, Bing; Yang, Zhen; Lu, Hongjian; Li, Guigen","Asymmetric Synthesis of Chiral α-Methyl-α,β-diamino Acid Derivatives via Group-Assisted Purification Chemistry Using N-Phosphonyl Imines and a Ni(II)-Complexed Alanine Schiff Base.","The Journal of organic chemistry","2016","81","17","7654","7661","10.1021/acs.joc.6b01385","","","0.71073","MoKα","","0.1712","0.0807","","","0.1826","0.2071","","","","","","1.073","","","","has coordinates,has disorder","235608","2020-10-21","18:00:00",""
"4037056","8.2512","0.001","8.4759","0.001","10.485","0.012","94.945","0.014","98.272","0.017","96.801","0.012","716.6","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Yamamoto, Chiaki; Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Intramolecular Benzylic C-H Amination for the Synthesis of Isoindolinones.","The Journal of organic chemistry","2016","81","17","7675","7684","10.1021/acs.joc.6b01393","","","0.71075","MoKα","","","0.0665","","","","0.1786","","","","","","1.039","","","","has coordinates","235609","2020-10-21","18:00:00",""
"4037057","11.2737","0.0004","14.8446","0.0004","16.967","0.0005","90","","93.758","0.003","90","","2833.38","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C160 H116 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","CuKα","","0.0968","0.0755","","","0.2144","0.2372","","","","","","1.03","","","","has coordinates","235611","2020-10-21","18:00:00",""
"4037058","18.8646","0.0009","16.0066","0.0006","9.2096","0.0004","90","","100.717","0.004","90","","2732.4","0.2","566","2","566","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C160 H116 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","CuKα","","0.1007","0.0773","","","0.236","0.2625","","","","","","1.11","","","","has coordinates","235613","2020-10-21","18:00:00",""
"4037059","13.33994","0.00019","22.145","0.0003","8.96791","0.00014","90","","92.0494","0.0013","90","","2647.54","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 N -","- C40 H27 N -","- C160 H108 N4 -","4","1","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.54184","","","0.0589","0.0484","","","","0.1459","","","","","","1.0332","","","","has coordinates","235614","2020-10-21","18:00:00",""
"4037060","31.2176","0.0006","7.90971","0.00014","22.4566","0.0004","90","","101.112","0.0017","90","","5441.08","0.17","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N -","- C40 H29 N -","- C320 H232 N8 -","8","2","","Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis and Photophysical Properties of Aza[n]helicenes.","The Journal of organic chemistry","2016","81","17","7751","7759","10.1021/acs.joc.6b01395","","","1.5418","CuKα","","0.0882","0.0803","","","0.2116","0.2224","","","","","","1.043","","","","has coordinates","235615","2020-10-21","18:00:00",""
"4037061","8.1824","0.0004","10.4332","0.0005","9.2974","0.0004","90","","99.884","0.005","90","","781.93","0.06","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones.","The Journal of organic chemistry","2016","81","17","7685","7691","10.1021/acs.joc.6b01396","","x-ray","1.54184","CuKα","","0.0778","0.0587","","","0.1566","0.185","","","","","","1.105","","","","has coordinates","235617","2020-10-21","18:00:00",""
"4037062","7.1301","0.0009","12.3459","0.0009","9.2749","0.0009","90","","112.434","0.013","90","","754.66","0.15","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 O4 -","- C9 H6 O4 -","- C36 H24 O16 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones.","The Journal of organic chemistry","2016","81","17","7685","7691","10.1021/acs.joc.6b01396","","","1.54184","CuKα","","0.0799","0.0557","","","0.1391","0.162","","","","","","1.1182","","","","has coordinates","235618","2020-10-21","18:00:00",""
"4037063","23.742","0.0005","7.5924","0.0001","7.887","0.0002","90","","90","","90","","1421.7","0.05","200","","200","","","","","","","","local","4","P c a 21","P 2c -2ac","29","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0351","0.0298","","0.0739","0.0715","0.0739","","","","","","0.9888","","","","has coordinates","235621","2020-10-21","18:00:00",""
"4037064","11.2237","0.0003","10.5952","0.0003","11.5492","0.0002","90","","90.1718","0.0015","90","","1373.39","0.06","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0571","0.0436","","0.1122","0.1045","0.1122","","","","","","0.9746","","","","has coordinates","235622","2020-10-21","18:00:00",""
"4037065","8.3982","0.0001","10.5143","0.0002","20.8016","0.0004","90","","94.8955","0.001","90","","1830.11","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.","A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines.","The Journal of organic chemistry","2016","81","17","8022","8028","10.1021/acs.joc.6b01400","","","0.71073","MoKα","","0.0554","0.0397","","0.1028","0.0955","0.1028","","","","","","0.9581","","","","has coordinates","235623","2020-10-21","18:00:00",""
"4037066","6.1702","0.0004","15.1497","0.001","17.1805","0.0012","90","","91.704","0.003","90","","1605.27","0.19","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan","Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.","The Journal of organic chemistry","2016","81","17","7692","7699","10.1021/acs.joc.6b01406","","","0.71073","MoKα","","0.0665","0.0397","","","0.0861","0.0971","","","","","","1.024","","","","has coordinates","235624","2020-10-21","18:00:00",""
"4037067","5.8199","0.0004","8.0405","0.0005","18.4354","0.0011","87.091","0.002","88.121","0.002","89.793","0.002","861.11","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C23 H19 N O -","- C23 H19 N O -","- C46 H38 N2 O2 -","2","2","","Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan","Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.","The Journal of organic chemistry","2016","81","17","7692","7699","10.1021/acs.joc.6b01406","","","0.71073","MoKα","","0.0476","0.0431","","","0.1009","0.1036","","","","","","1.031","","","","has coordinates,has disorder","235625","2020-10-21","18:00:00",""
"4037068","16.676","0.002","16.766","0.002","18.31","0.002","86.666","0.011","72.882","0.007","82.504","0.01","4849.6","1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C60.5 H59 Cl -","- C60.5 H59 Cl -","- C242 H236 Cl4 -","4","2","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","0.71075","MoKα","","0.1105","0.0956","","","0.1957","0.2045","","","","","","1.221","","","","has coordinates,has disorder","235626","2020-10-21","18:00:00",""
"4037069","9.4783","0.0009","27.727","0.002","35.544","0.003","90","","90","","90","","9341.1","1.4","113","2","113","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.0514","0.0443","","","0.1176","0.1222","","","","","","1.028","","","","has coordinates,has disorder","235627","2020-10-21","18:00:00",""
"4037070","47.18","0.03","9.144","0.005","21.056","0.011","90","","96.297","0.013","90","","9029","9","113","","113","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.1655","0.0747","","","0.1791","0.2268","","","","","","1.01","","","","has coordinates","235628","2020-10-21","18:00:00",""
"4037071","10.588","0.002","13.867","0.002","16.98","0.003","78.787","0.011","88.157","0.013","82.737","0.013","2425.8","0.7","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C56 H56 -","- C56 H56 -","- C112 H112 -","2","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","0.71075","MoKα","","0.1056","0.0928","","","0.237","0.246","","","","","","1.205","","","","has coordinates","235630","2020-10-21","18:00:00",""
"4037072","7.4284","0.0002","9.2229","0.0002","22.4749","0.0007","90","","90","","90","","1539.79","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0379","0.0342","","","0.0812","0.0838","","","","","","1.083","","","","has coordinates","235631","2020-10-21","18:00:00",""
"4037073","7.9409","0.0006","9.0559","0.0005","25.8657","0.0016","90","","90","","90","","1860.1","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0439","0.0378","","","0.0858","0.0895","","","","","","1.046","","","","has coordinates","235632","2020-10-21","18:00:00",""
"4037074","7.0231","0.0004","7.1476","0.0003","29.3182","0.0016","90","","90","","90","","1471.72","0.13","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C72 H72 N8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0397","0.0364","","","0.0853","0.0874","","","","","","1.035","","","","has coordinates","235634","2020-10-21","18:00:00",""
"4037075","6.281","0.0002","19.8359","0.0007","7.8253","0.0003","90","","91.333","0.002","90","","974.68","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0354","0.0313","","","0.0765","0.0779","","","","","","1.145","","","","has coordinates","235635","2020-10-21","18:00:00",""
"4037076","6.262","0.0005","8.1188","0.0006","20.3785","0.0016","90","","92.859","0.002","90","","1034.75","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C52 H58 N2 O4 -","2","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0457","0.0438","","","0.1149","0.1162","","","","","","1.06","","","","has coordinates","235637","2020-10-21","18:00:00",""
"4037077","7.0779","0.0002","9.264","0.0003","26.1004","0.0007","90","","90","","90","","1711.39","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0672","0.0675","","","","","","1.038","","","","has coordinates,has disorder","235638","2020-10-21","18:00:00",""
"4037078","8.237","0.0002","21.2108","0.0004","8.4707","0.0002","90","","98.7489","0.0019","90","","1462.72","0.06","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","2","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.054","0.0524","","0.1374","0.1353","0.1374","","","","","","1.0038","","","","has coordinates","235639","2020-10-21","18:00:00",""
"4037079","5.856","0.0002","11.9176","0.0004","15.3239","0.0007","109.83","0.004","97.254","0.003","99.9","0.003","971.19","0.07","150","","150","","","","","","","","local","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.0466","0.0413","","0.1048","0.1007","0.1048","","","","","","0.9915","","","","has coordinates","235640","2020-10-21","18:00:00",""
"4037080","10.2934","0.0002","10.7138","0.0002","22.2707","0.0003","90","","90.0949","0.0014","90","","2456.04","0.07","150","","150","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine.","The Journal of organic chemistry","2016","81","21","10551","10557","10.1021/acs.joc.6b01424","","","1.54184","CuKα","","0.0403","0.0381","","0.0974","0.0952","0.0974","","","","","","0.9978","","","","has coordinates","235641","2020-10-21","18:00:00",""
"4037081","12.4458","0.0002","10.5223","0.0002","21.942","0.0004","90","","99.439","0.002","90","","2834.59","0.09","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N5 O2 -","- C34 H35 N5 O2 -","- C136 H140 N20 O8 -","4","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0555","0.044","","","0.1124","0.1234","","","","","","1.027","","","","has coordinates","235643","2020-10-21","18:00:00",""
"4037082","12.6015","0.0002","9.4461","0.0002","37.952","0.0009","90","","90","","90","","4517.62","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N6 O4 -","- C22 H30 N6 O4 -","- C176 H240 N48 O32 -","8","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0433","0.036","","","0.0849","0.0907","","","","","","1.054","","","","has coordinates","235645","2020-10-21","18:00:00",""
"4037083","13.0983","0.0005","13.093","0.0005","15.9951","0.0005","90","","97.187","0.003","90","","2721.54","0.17","129","1","129","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N5 O2 -","- C31 H29 N5 O2 -","- C124 H116 N20 O8 -","4","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.5418","CuKα","","0.0536","0.0431","","","0.1089","0.1171","","","","","","1.023","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4037084","10.137","0.002","10.176","0.002","40.85","0.008","90","","90","","90","","4213.8","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O3 Si -","- C19 H31 N O3 Si -","- C152 H248 N8 O24 Si8 -","8","2","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","1.54178","CuKα","","0.0388","0.0368","","","0.1012","0.1032","","","","","","1.041","","","","has coordinates","235648","2020-10-21","18:00:00",""
"4037085","7.946","0.002","11.256","0.003","8.207","0.002","90","","101.141","0.004","90","","720.2","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C32 H44 O6 -","2","1","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","0.71073","MoKα","","0.0584","0.0475","","","0.1148","0.1224","","","","","","1.029","","","","has coordinates","235649","2020-10-21","18:00:00",""
"4037086","9.1684","0.0013","7.1253","0.0011","22.658","0.004","90","","92.64","0.003","90","","1478.6","0.4","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C64 H68 Br4 O16 -","4","0.5","","Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens","Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.","The Journal of organic chemistry","2016","81","17","7790","7798","10.1021/acs.joc.6b01441","","","0.71073","MoKα","","0.0608","0.0469","","","0.1029","0.1083","","","","","","1.118","","","","has coordinates,has disorder","235650","2020-10-21","18:00:00",""
"4037087","13.208","0.0007","7.0604","0.0004","16.8743","0.001","90","","103.925","0.0017","90","","1527.35","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C64 H68 Br4 O20 -","4","1","","Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens","Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.","The Journal of organic chemistry","2016","81","17","7790","7798","10.1021/acs.joc.6b01441","","","0.71073","MoKα","","0.0382","0.0315","","","0.0785","0.0815","","","","","","1.071","","","","has coordinates","235652","2020-10-21","18:00:00",""
"4037088","9.765","0.002","11.411","0.003","13.153","0.004","86.795","0.007","79.982","0.007","81.078","0.008","1425.2","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl2 N8 O2 -","- C30 H28 Cl2 N8 O2 -","- C60 H56 Cl4 N16 O4 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0462","0.0431","","","0.1034","0.1059","","","","","","1.107","","","","has coordinates","235653","2020-10-21","18:00:00",""
"4037089","12.91","0.003","10.52","0.002","20.591","0.005","90","","91.871","0.003","90","","2795","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0545","0.0489","","","0.1103","0.1134","","","","","","1.126","","","","has coordinates","235654","2020-10-21","18:00:00",""
"4037090","8.485","0.002","17.555","0.005","18.846","0.005","90","","91.734","0.004","90","","2805.9","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0551","0.0526","","","0.1114","0.1125","","","","","","1.247","","","","has coordinates","235655","2020-10-21","18:00:00",""
"4037091","10.074","0.003","11.434","0.003","12.631","0.004","91.555","0.002","105.46","0.004","108.834","0.003","1316.9","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 F3 N8 O3 S -","- C26 H27 F3 N8 O3 S -","- C52 H54 F6 N16 O6 S2 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0636","0.0608","","","0.1683","0.1708","","","","","","1.111","","","","has coordinates","235656","2020-10-21","18:00:00",""
"4037092","9.7124","0.0013","9.7781","0.0013","17.437","0.003","80.127","0.009","78.698","0.008","63.431","0.006","1445.7","0.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N8 O3 -","- C33 H30 N8 O3 -","- C66 H60 N16 O6 -","2","1","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0488","0.0455","","","0.106","0.1088","","","","","","1.091","","","","has coordinates","235658","2020-10-21","18:00:00",""
"4037093","14.185","0.003","15.666","0.004","16.155","0.004","103.785","0.003","96.266","0.003","98.736","0.003","3406.4","1.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N8 O3 S -","- C32 H28 N8 O3 S -","- C128 H112 N32 O12 S4 -","4","2","","Liu, Yang; Zhang, Qian; Guo, Qing-Hui; Wang, Mei-Xiang","Synthesis of Functionalized Azacalix[1]arene[3]pyridine Macrocycles from Cu(II)-Mediated Direct Amination Reactions of Arene through High Valent Arylcopper(III) Intermediates.","The Journal of organic chemistry","2016","81","21","10404","10410","10.1021/acs.joc.6b01448","","","0.71073","MoKα","","0.0683","0.061","","","0.156","0.1622","","","","","","1.104","","","","has coordinates","235659","2020-10-21","18:00:00",""
"4037094","7.8629","0.0005","17.9726","0.0009","27.3125","0.0013","90","","90","","90","","3859.7","0.4","291","2","291.15","","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C20 H15 Br N2 O4 -","- C20 H15 Br N2 O4 -","- C160 H120 Br8 N16 O32 -","8","2","","Qiu, Shuai; Lee, Richmond; Zhu, Bo; Coote, Michelle L.; Zhao, Xiaowei; Jiang, Zhiyong","Highly Enantio- and Diastereoselective [4 + 2] Cycloaddition of 5H-oxazol-4-ones with N-Maleimides.","The Journal of organic chemistry","2016","81","17","8061","8069","10.1021/acs.joc.6b01451","","x-ray","0.71073","MoKα","","0.1584","0.0866","","","0.2205","0.264","","","","","","1.035","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037095","8.5834","0.0014","10.076","0.002","11.212","0.002","76.303","0.016","67.953","0.016","65.886","0.016","816.3","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","1","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0719","0.0465","","","0.0879","0.1022","","","","","","1.041","","","","has coordinates","235661","2020-10-21","18:00:00",""
"4037096","12.537","0.004","7.148","0.003","15.862","0.003","90","","108.065","0.017","90","","1351.4","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0931","0.0514","","","0.0949","0.1083","","","","","","1.055","","","","has coordinates","235662","2020-10-21","18:00:00",""
"4037097","8.686","0.002","7.044","0.002","10.612","0.006","90","","91.27","0.03","90","","649.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","0.5","","Zheng, Liyao; Bin, Yunhui; Wang, Yunpeng; Hua, Ruimao","Synthesis of Natural Product-like Polyheterocycles via One-Pot Cascade Oximation, C-H Activation, and Alkyne Annulation.","The Journal of organic chemistry","2016","81","19","8911","8919","10.1021/acs.joc.6b01460","","","0.71073","MoKα","","0.0862","0.0534","","","0.1022","0.1165","","","","","","1.02","","","","has coordinates","235663","2020-10-21","18:00:00",""
"4037098","6.88256","0.00013","11.6354","0.0003","17.0068","0.0004","91.8992","0.0018","93.0309","0.0017","103.471","0.0018","1321.15","0.05","286.21","0.1","286.21","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","2","","Lai, Ting-Ting; Xie, Dan; Zhou, Cheng-He; Cai, Gui-Xin","Copper-Catalyzed Inter/Intramolecular N-Alkenylation of Benzimidazoles via Tandem Processes Involving Selectively Mild Iodination of sp<sup>3</sup> C-H Bond at α-Position of Ester.","The Journal of organic chemistry","2016","81","19","8806","8815","10.1021/acs.joc.6b01465","","x-ray","1.54184","CuKα","","0.0505","0.0483","","","0.1312","0.134","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037099","11.346","0.003","20.72","0.006","8.864","0.003","90","","100.993","0.005","90","","2045.6","1.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Cl2 N -","- C26 H17 Cl2 N -","- C104 H68 Cl8 N4 -","4","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Jain, Shailja; Gonnade, Rajesh G.; Biju, Akkattu T.","Selective Synthesis of N-Unsubstituted and N-Arylindoles by the Reaction of Arynes with Azirines.","The Journal of organic chemistry","2016","81","18","8604","8611","10.1021/acs.joc.6b01472","","","0.71073","MoKα","","0.1038","0.0662","","","0.1238","0.1386","","","","","","1.069","","","","has coordinates","235665","2020-10-21","18:00:00",""
"4037100","7.8272","0.0004","10.8142","0.0005","11.7984","0.0005","115.263","0.002","91.231","0.003","91.976","0.003","901.9","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 F6 N -","- C22 H13 F6 N -","- C44 H26 F12 N2 -","2","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Jain, Shailja; Gonnade, Rajesh G.; Biju, Akkattu T.","Selective Synthesis of N-Unsubstituted and N-Arylindoles by the Reaction of Arynes with Azirines.","The Journal of organic chemistry","2016","81","18","8604","8611","10.1021/acs.joc.6b01472","","","0.71073","MoKα","","0.0921","0.0749","","","0.1967","0.2086","","","","","","1.065","","","","has coordinates,has disorder","235667","2020-10-21","18:00:00",""
"4037101","12.8411","0.001","6.8502","0.0005","14.7405","0.0011","90","","110.788","0.004","90","","1212.22","0.16","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 -","- C40 H22 -","- C80 H44 -","2","0.5","","Yuan, Bingxin; Zhuang, Junpeng; Kirmess, Kristopher M.; Bridgmohan, Chelsea N.; Whalley, Adam C.; Wang, Lichang; Plunkett, Kyle N.","Pentaleno[1,2-a:4,5']diacenaphthylenes: Uniquely Stabilized Pentalene Derivatives.","The Journal of organic chemistry","2016","81","18","8312","8318","10.1021/acs.joc.6b01480","","","1.54178","CuKα","","0.0549","0.0428","","","0.0949","0.1009","","","","","","1.09","","","","has coordinates","235668","2020-10-21","18:00:00",""
"4037102","27.402","0.0003","7.49537","0.00006","20.0684","0.0002","90","","111.423","0.0012","90","","3837.03","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 B F O3 -","- C23 H24 B F O3 -","- C184 H192 B8 F8 O24 -","8","2","","Struble, Mark D.; Guan, Liangyu; Siegler, Maxime A.; Lectka, Thomas","A C-F Bond Directed Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","8087","8090","10.1021/acs.joc.6b01489","","","1.54178","CuKα","","0.0407","0.0403","","","0.1094","0.1099","","","","","","1.03","","","","has coordinates","235669","2020-10-21","18:00:00",""
"4037103","9.2797","0.0018","10.762","0.002","16.496","0.004","99.202","0.012","96.89","0.012","90.327","0.011","1614","0.6","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H16 B N O2 -","- C20 H16 B N O2 -","- C80 H64 B4 N4 O8 -","4","4","","Chapin, Brette M.; Metola, Pedro; Lynch, Vincent M.; Stanton, John F.; James, Tony D.; Anslyn, Eric V.","Structural and Thermodynamic Analysis of a Three-Component Assembly Forming ortho-Iminophenylboronate Esters.","The Journal of organic chemistry","2016","81","18","8319","8330","10.1021/acs.joc.6b01495","","","0.71073","MoKα","","0.208","0.1035","","","0.2246","0.2813","","","","","","1.006","","","","has coordinates","235670","2020-10-21","18:00:00",""
"4037104","22.508","0.003","15.8459","0.0017","26.254","0.004","90","","93.149","0.004","90","","9350","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H42 N2 O4.67 S -","- C31 H42 N2 O4.66667 S -","- C372 H504 N24 O56 S12 -","12","3","","Hato, Yoshio; Oonishi, Yoshihiro; Yamamoto, Yasunori; Nakajima, Kiyohiko; Sato, Yoshihiro","Stereoselective Construction of Spiro-Fused Tricyclic Frameworks by Sequential Reaction of Enynes, Imines, and Diazoalkenes with Rh(I) and Rh(II) Catalysts.","The Journal of organic chemistry","2016","81","17","7847","7854","10.1021/acs.joc.6b01502","","","1.54187","CuKα","","0.0771","0.0621","","","","0.1598","","","","","","0.713","","","","has coordinates","235671","2020-10-21","18:00:00",""
"4037105","7.1669","0.0004","7.6027","0.0004","13.8637","0.0008","94.992","0.004","92.691","0.004","93.826","0.004","749.8","0.07","372","2","372","2","","","","","","","","3","P 1","P 1","1","citreoviranol","(2'S,4'R6'S)-spiro[6,8-dimethoxyisochroman-1-one-3,6'-2'-methyloxan-4'-ol]","","- C15 H18 O6 -","- C7.5 H9 O3.5 -","- C30 H36 O14 -","4","4","","Quach, Rachelle; Furkert, Daniel P.; Brimble, Margaret A.","Total Synthesis of the Resorcyclic Acid Lactone Spiroketal Citreoviranol.","The Journal of organic chemistry","2016","81","18","8343","8350","10.1021/acs.joc.6b01503","","","0.71073","MoKα","","0.0614","0.0504","","","0.1203","0.1279","","","","","","1.024","","","","has coordinates","235672","2020-10-21","18:00:00",""
"4037106","19.68","0.005","46.734","0.011","6.8945","0.0017","90","","90","","90","","6341","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H36 Br2 S4 Si4 -","- C20 H36 Br2 S4 Si4 -","- C160 H288 Br16 S32 Si32 -","8","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0619","0.0389","","","0.0811","0.0887","","","","","","1.004","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037107","16.786","0.011","10.68","0.007","11.708","0.008","90","","101.359","0.012","90","","2058","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br S3 Si2 -","- C14 H21 Br S3 Si2 -","- C56 H84 Br4 S12 Si8 -","4","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0566","0.0388","","","0.1092","0.1161","","","","","","1.033","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037108","32.516","0.007","10.235","0.002","11.456","0.002","90","","90","","90","","3812.6","1.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 S3 Si2 -","- C14 H20 S3 Si2 -","- C112 H160 S24 Si16 -","8","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.1233","0.0835","","","0.2045","0.2208","","","","","","1.101","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037109","20.362","0.006","9.842","0.003","19.635","0.006","90","","93.532","0.005","90","","3927","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Br S3 Si2 -","- C14 H19 Br S3 Si2 -","- C112 H152 Br8 S24 Si16 -","8","1","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0582","0.0391","","","0.105","0.1115","","","","","","1.041","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037110","11.669","0.002","33.953","0.007","10.21","0.002","90","","90","","90","","4045.2","1.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H36 Cl0 O3 S7 Si4 -","- C28 H36 O3 S7 Si4 -","- C112 H144 O12 S28 Si16 -","4","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0963","0.0636","","","0.1597","0.1804","","","","","","1.085","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037111","9.8175","0.0005","5.365","0.0003","14.4448","0.0006","90","","97.206","0.003","90","","754.81","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C32 H38 N2 O12 -","2","1","","Hoogenboom, Jorin; Lutz, Martin; Zuilhof, Han; Wennekes, Tom","Exploring the Chemistry of Bicyclic Isoxazolidines for the Multicomponent Synthesis of Glycomimetic Building Blocks.","The Journal of organic chemistry","2016","81","19","8826","8836","10.1021/acs.joc.6b01515","","","0.71073","MoKα","","0.0485","0.0351","","","0.0733","0.0783","","","","","","1.036","","","","has coordinates","235675","2020-10-21","18:00:00",""
"4037112","12.068","0.005","13.052","0.005","26.055","0.005","90","0.005","90","0.005","90","0.005","4104","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F N2 O2 S2 -","- C22 H19 F N2 O2 S2 -","- C176 H152 F8 N16 O16 S16 -","8","2","","Bhattacharyya, Aditya; Kavitha, C. V.; Ghorai, Manas K.","Stereospecific Synthesis of 2-Iminothiazolidines via Domino Ring-Opening Cyclization of Activated Aziridines with Aryl- and Alkyl Isothiocyanates.","The Journal of organic chemistry","2016","81","15","6433","6443","10.1021/acs.joc.6b01551","","","0.71073","MoKα","","0.0974","0.0723","","","0.1593","0.1712","","","","","","1.039","","","","has coordinates","235676","2020-10-21","18:00:00",""
"4037113","14.3343","0.0007","12.9414","0.0006","12.2133","0.0006","90","","114.134","0.001","90","","2067.6","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br N2 O2 S2 -","- C22 H19 Br N2 O2 S2 -","- C88 H76 Br4 N8 O8 S8 -","4","1","","Bhattacharyya, Aditya; Kavitha, C. V.; Ghorai, Manas K.","Stereospecific Synthesis of 2-Iminothiazolidines via Domino Ring-Opening Cyclization of Activated Aziridines with Aryl- and Alkyl Isothiocyanates.","The Journal of organic chemistry","2016","81","15","6433","6443","10.1021/acs.joc.6b01551","","","0.71073","MoKα","","0.0564","0.0377","","","0.0717","0.0772","","","","","","1.015","","","","has coordinates","235678","2020-10-21","18:00:00",""
"4037114","12.896","0.004","12.521","0.003","13.524","0.004","90","","91.004","0.01","90","","2183.4","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 N2 O2 S -","- C22 H20 Cl2 N2 O2 S -","- C88 H80 Cl8 N8 O8 S4 -","4","1","","Lu, Shuai; Zhu, Xinju; Li, Ke; Guo, Yu-Jing; Wang, Meng-Dan; Zhao, Xue-Mei; Hao, Xin-Qi; Song, Mao-Ping","Reactivity of p-Toluenesulfonylmethyl Isocyanide: Iron-Involved C-H Tosylmethylation of Imidazopyridines in Nontoxic Media.","The Journal of organic chemistry","2016","81","18","8370","8377","10.1021/acs.joc.6b01552","","","0.71073","MoKα","","0.1335","0.0823","","","0.2129","0.2338","","","","","","1.343","","","","has coordinates","235679","2020-10-21","18:00:00",""
"4037115","11.0146","0.0006","14.8262","0.0006","18.3192","0.001","78.356","0.004","88.04","0.005","83.47","0.004","2910.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C128 H120 N8 O16 S8 -","8","4","","Lu, Shuai; Zhu, Xinju; Li, Ke; Guo, Yu-Jing; Wang, Meng-Dan; Zhao, Xue-Mei; Hao, Xin-Qi; Song, Mao-Ping","Reactivity of p-Toluenesulfonylmethyl Isocyanide: Iron-Involved C-H Tosylmethylation of Imidazopyridines in Nontoxic Media.","The Journal of organic chemistry","2016","81","18","8370","8377","10.1021/acs.joc.6b01552","","x-ray","1.54184","CuKα","","0.0698","0.0496","","","0.1285","0.1442","","","","","","1.016","","","","has coordinates","235680","2020-10-21","18:00:00",""
"4037116","14.4027","0.0005","8.6895","0.0003","14.5915","0.0005","90","","108.076","0.001","90","","1736.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H38 F N O9 -","- C41 H38 F N O9 -","- C82 H76 F2 N2 O18 -","2","1","","Zhang, Jiaxing; Cao, Dongdong; Wang, Hongyu; Zheng, Changwu; Zhao, Gang; Shang, Yongjia","Enantioselective Construction of Spirocyclic Oxindoles via Tandem Michael/Michael Reactions Catalyzed by Multifunctional Quaternary Phosphonium Salt.","The Journal of organic chemistry","2016","81","21","10558","10568","10.1021/acs.joc.6b01553","","","1.54178","CuKα","","0.0288","0.0275","","","0.0709","0.0721","","","","","","1.031","","","","has coordinates","235681","2020-10-21","18:00:00",""
"4037117","9.9321","0.0005","14.6138","0.0007","13.9842","0.0007","90","","108.691","0.006","90","","1922.7","0.18","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl4 Co2 N4 -","- C36 H44 Cl4 Co2 N4 -","- C72 H88 Cl8 Co4 N8 -","2","0.5","","Xi, Tuo; Lu, Zhan","Cobalt-Catalyzed Hydrosilylation/Cyclization of 1,6-Enynes.","The Journal of organic chemistry","2016","81","19","8858","8866","10.1021/acs.joc.6b01555","","","0.71073","MoKα","","0.056","0.0385","","","0.082","0.0927","","","","","","1.05","","","","has coordinates","235682","2020-10-21","18:00:00",""
"4037118","18.373","0.0008","14.1963","0.0006","6.1767","0.0003","90","","90","","90","","1611.06","0.13","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0422","0.0404","","","0.1012","0.1024","","","","","","1.046","","","","has coordinates","235683","2020-10-21","18:00:00",""
"4037119","12.5517","0.0003","14.7684","0.0003","18.5336","0.0004","90","","90","","90","","3435.55","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C160 H136 N8 O24 S8 -","8","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0311","0.0285","","","0.075","0.0768","","","","","","1.061","","","","has coordinates","235684","2020-10-21","18:00:00",""
"4037120","11.5996","0.0002","17.8298","0.0003","10.5067","0.0002","90","","90.025","0.002","90","","2172.98","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 I N2 O -","- C22 H33 I N2 O -","- C88 H132 I4 N8 O4 -","4","1","","Branná, Petra; Černochová, Jarmila; Rouchal, Michal; Kulhánek, Petr; Babinský, Martin; Marek, Radek; Nečas, Marek; Kuřitka, Ivo; Vícha, Robert","Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests.","The Journal of organic chemistry","2016","81","20","9595","9604","10.1021/acs.joc.6b01564","","","0.71073","MoKα","","0.0179","0.017","","","0.0439","0.0441","","","","","","1.04","","","","has coordinates","235685","2020-10-21","18:00:00",""
"4037121","27.482","0.002","10.0377","0.0005","20.0803","0.0015","90","","124.255","0.011","90","","4578.4","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H36 N2 O4 S -","- C23 H36 N2 O4 S -","- C184 H288 N16 O32 S8 -","8","1","","Branná, Petra; Černochová, Jarmila; Rouchal, Michal; Kulhánek, Petr; Babinský, Martin; Marek, Radek; Nečas, Marek; Kuřitka, Ivo; Vícha, Robert","Cooperative Binding of Cucurbit[n]urils and β-Cyclodextrin to Heteroditopic Imidazolium-Based Guests.","The Journal of organic chemistry","2016","81","20","9595","9604","10.1021/acs.joc.6b01564","","","0.71073","MoKα","","0.0584","0.0373","","","0.0921","0.0956","","","","","","0.972","","","","has coordinates","235685","2020-10-21","18:00:00",""
"4037122","11.452","0.0011","11.8284","0.0011","23.988","0.002","90","","101.765","0.003","90","","3181.1","0.5","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B F2 N4 -","- C18 H13 B F2 N4 -","- C144 H104 B8 F16 N32 -","8","2","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","0.71073","MoKα","","0.0904","0.0441","","","0.0904","0.1089","","","","","","1.006","","","","has coordinates","235686","2020-10-21","18:00:00",""
"4037123","5.5417","0.0001","16.4181","0.0003","18.137","0.0004","90","","96.848","0.001","90","","1638.41","0.06","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B N4 O -","- C19 H17 B N4 O -","- C76 H68 B4 N16 O4 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","1.54178","CuKα","","0.0376","0.0356","","","0.0861","0.0879","","","","","","1.048","","","","has coordinates","235688","2020-10-21","18:00:00",""
"4037124","9.7748","0.0002","19.5968","0.0004","22.9745","0.0005","90","","99.182","0.001","90","","4344.48","0.16","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 B2 N14 -","- C50 H40 B2 N14 -","- C200 H160 B8 N56 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","1.54178","CuKα","","0.0485","0.0407","","","0.099","0.1039","","","","","","1.069","","","","has coordinates","235689","2020-10-21","18:00:00",""
"4037125","9.2268","0.0007","12.1805","0.0009","19.0861","0.0015","90","","90","","90","","2145","0.3","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 B Br F2 N4 -","- C24 H16 B Br F2 N4 -","- C96 H64 B4 Br4 F8 N16 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","0.71073","MoKα","","0.04","0.0278","","","0.0524","0.0554","","","","","","1.019","","","","has coordinates","235690","2020-10-21","18:00:00",""
"4037126","11.5796","0.0004","10.5928","0.0003","16.6027","0.0006","90","","96.501","0.003","90","","2023.4","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C84 H128 N8 O12 -","4","2","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0506","0.0471","","","0.1174","0.1195","","","","","","1.107","","","","has coordinates","235691","2020-10-21","18:00:00",""
"4037127","10.8941","0.0005","8.3839","0.0004","11.321","0.0005","90","","99.104","0.004","90","","1020.98","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O3 -","- C21 H32 N2 O3 -","- C42 H64 N4 O6 -","2","1","","Osorio-Nieto, Urbano; Chamorro-Arenas, Delfino; Quintero, Leticia; Höpfl, Herbert; Sartillo-Piscil, Fernando","Transition Metal-Free Selective Double sp(3) C-H Oxidation of Cyclic Amines to 3-Alkoxyamine Lactams.","The Journal of organic chemistry","2016","81","18","8625","8632","10.1021/acs.joc.6b01566","","x-ray","0.71073","MoKα","","0.0422","0.0391","","","0.0844","0.0866","","","","","","1.081","","","","has coordinates","235692","2020-10-21","18:00:00",""
"4037128","8.8171","0.0006","8.8171","0.0006","42.31","0.003","90","","90","","90","","3289.2","0.4","97","2","97","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H25 N O5 -","- C15 H25 N O5 -","- C120 H200 N8 O40 -","8","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.0615","0.0555","","","0.1267","0.13","","","","","","1.131","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4037129","8.9295","0.001","14.3156","0.0015","21.898","0.002","90","","93.139","0.004","90","","2795","0.5","97","2","97","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 F3 N O5 -","- C11 H16 F3 N O5 -","- C88 H128 F24 N8 O40 -","8","4","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1451","0.0924","","","0.2193","0.2483","","","","","","1.08","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037130","6.9029","0.0003","9.9051","0.0005","21.6344","0.0011","90","","90","","90","","1479.23","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 F3 N O5 -","- C12 H18 F3 N O5 -","- C48 H72 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1254","0.0863","","","0.2209","0.2401","","","","","","1.52","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4037131","9.7482","0.0014","22.448","0.003","7.0961","0.0012","90","","90","","90","","1552.8","0.4","97","2","97","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 F3 N O5 -","- C13 H20 F3 N O5 -","- C52 H80 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1214","0.0882","","","0.2271","0.2506","","","","","","1.045","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037132","10.963","0.0005","18.4513","0.0008","33.0607","0.0014","97.697","0.0016","97.8872","0.0016","100.97","0.0016","6414.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H78 N6 O8 -","- C76 H78 N6 O8 -","- C304 H312 N24 O32 -","4","2","","Schulze, Marcus; Philipp, Michael; Waigel, Waldemar; Schmidt, David; Würthner, Frank","Library of Azabenz-Annulated Core-Extended Perylene Derivatives with Diverse Substitution Patterns and Tunable Electronic and Optical Properties.","The Journal of organic chemistry","2016","81","18","8394","8405","10.1021/acs.joc.6b01573","","","1.54178","CuKα","","0.0895","0.0809","","","0.2239","0.2313","","","","","","1.065","","","","has coordinates,has disorder","235696","2020-10-21","18:00:00",""
"4037133","6.844","0.003","20.465","0.01","15.152","0.007","90","","98.215","0.008","90","","2100.4","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C92 H104 N8 O28 -","4","1","","Türkmen, Yunus E; Gravel, Michel; Rawal, Viresh H.","Studies Directed toward the Synthesis of Aspidophytine: Construction of Its Perhydroquinoline Core.","The Journal of organic chemistry","2016","81","21","10454","10462","10.1021/acs.joc.6b01574","","","0.71073","MoKα","","0.0504","0.0455","","","0.1139","0.1167","","","","","","1.122","","","","has coordinates","235698","2020-10-21","18:00:00",""
"4037134","11.7545","0.0005","7.3182","0.0003","13.4982","0.0005","90","","107.737","0.002","90","","1105.94","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N8 O4 -","- C24 H24 N8 O4 -","- C48 H48 N16 O8 -","2","0.5","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","","0.71073","MoKα","","0.0488","0.0398","","","0.0947","0.0994","","","","","","1.044","","","","has coordinates","235699","2020-10-21","18:00:00",""
"4037135","20.7679","0.0004","9.58691","0.00017","23.2936","0.0005","90","","105.633","0.002","90","","4466.19","0.16","294","","294","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N9 -","- C21 H21 N9 -","- C168 H168 N72 -","8","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","x-ray","1.54184","CuKα","","0.0546","0.0481","","","0.1494","0.1569","","","","","","1.057","","","","has coordinates","235701","2020-10-21","18:00:00",""
"4037136","6.3635","0.0004","22.8369","0.0016","12.9558","0.0009","90","","95.1","0.006","90","","1875.3","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N7 -","- C22 H21 N7 -","- C88 H84 N28 -","4","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","","0.71073","MoKα","","0.08","0.0501","","","0.1095","0.1295","","","","","","1.023","","","","has coordinates","235702","2020-10-21","18:00:00",""
"4037137","11.8431","0.0007","16.1181","0.0009","10.8078","0.0005","90","","93.181","0.005","90","","2059.9","0.19","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((1-(tert-butyl)-1H-tetrazol-5-yl)(2-chloroquinolin-3-yl)methyl)aniline","","- C21 H21 Cl N6 -","- C21 H21 Cl N6 -","- C84 H84 Cl4 N24 -","4","1","","Unnamatla, M. V. Basavanag; Islas-Jácome, Alejandro; Quezada-Soto, Andrea; Ramírez-López, Sandra C; Flores-Álamo, Marcos; Gámez-Montaño, Rocío","Multicomponent One-Pot Synthesis of 3-Tetrazolyl and 3-Imidazo[1,2-a]pyridin Tetrazolo[1,5-a]quinolines.","The Journal of organic chemistry","2016","81","21","10576","10583","10.1021/acs.joc.6b01576","","x-ray","0.71073","MoKα","","0.0636","0.0422","","","0.0928","0.1043","","","","","","1.0335","","","","has coordinates","235703","2020-10-21","18:00:00",""
"4037138","9.3977","0.0016","14.478","0.003","17.17","0.003","68.007","0.005","79.865","0.005","75.921","0.005","2091.7","0.7","122","2","122","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H44 Br2 S8 -","- C42 H44 Br2 S8 -","- C84 H88 Br4 S16 -","2","2","","Mansø, Mads; Koole, Max; Mulder, Maarten; Olavarria-Contreras, Ignacio J; Andersen, Cecilie Lindholm; Jevric, Martyn; Broman, Søren Lindbæk; Kadziola, Anders; Hammerich, Ole; van der Zant, Herre S. J.; Nielsen, Mogens Brøndsted","Synthesis and Single-Molecule Conductances of Neutral and Cationic Indenofluorene-Extended Tetrathiafulvalenes: Kondo Effect Molecules.","The Journal of organic chemistry","2016","81","18","8406","8414","10.1021/acs.joc.6b01579","","","0.71073","MoKα","","0.2136","0.1124","","","0.2498","0.3145","","","","","","1.026","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4037139","15.739","0.007","6.567","0.003","16.007","0.007","90","","104.164","0.011","90","","1604.2","1.2","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H49 N O5 Si2 -","- C29 H49 N O5 Si2 -","- C58 H98 N2 O10 Si4 -","2","1","","Williams, David R.; Donnell, Andrew F.; Kammler, David C.; Ward, Sarah A.; Taylor, 4th, Levin","Studies of Azetidin-2-one as a Reactive Enolate Synthon of β-Alanine for Condensations with Aldehydes and Ketones.","The Journal of organic chemistry","2016","81","21","10463","10475","10.1021/acs.joc.6b01585","","","0.71073","MoKα","","0.3227","0.1099","","","0.2236","0.2695","","","","","","0.845","","","","has coordinates","235705","2020-10-21","18:00:00",""
"4037140","19.3196","0.0011","7.0712","0.0004","20.3849","0.0011","90","","110.116","0.001","90","","2615","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl N4 O3 S -","- C26 H33 Cl N4 O3 S -","- C104 H132 Cl4 N16 O12 S4 -","4","1","","Selvaraju, Manikandan; Dhole, Sandip; Sun, Chung-Ming","Three Component Divergent Reactions: Base-Controlled Amphiphilic Synthesis of Benzimidazole-Linked Thiazetidines and Fused Thiadiazines.","The Journal of organic chemistry","2016","81","19","8867","8875","10.1021/acs.joc.6b01586","","","0.71073","MoKα","","0.0432","0.033","","","0.0909","0.1026","","","","","","1.083","","","","has coordinates","235706","2020-10-21","18:00:00",""
"4037141","9.5462","0.0004","16.1174","0.0007","16.3038","0.0007","102.401","0.002","98.11","0.002","90.57","0.002","2423.37","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O2 S -","- C26 H30 N4 O2 S -","- C104 H120 N16 O8 S4 -","4","2","","Selvaraju, Manikandan; Dhole, Sandip; Sun, Chung-Ming","Three Component Divergent Reactions: Base-Controlled Amphiphilic Synthesis of Benzimidazole-Linked Thiazetidines and Fused Thiadiazines.","The Journal of organic chemistry","2016","81","19","8867","8875","10.1021/acs.joc.6b01586","","","0.71073","MoKα","","0.1081","0.0612","","","0.1734","0.2197","","","","","","1.028","","","","has coordinates","235708","2020-10-21","18:00:00",""
"4037142","10.3634","0.0003","7.8244","0.0002","13.9755","0.0004","90","","110.811","0.001","90","","1059.3","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O3 -","- C27 H20 Br N O3 -","- C54 H40 Br2 N2 O6 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0189","0.0176","","","0.0429","0.0432","","","","","","1.038","","","","has coordinates","235709","2020-10-21","18:00:00",""
"4037143","6.7332","0.0004","13.7973","0.0009","12.349","0.0008","90","","98.601","0.005","90","","1134.32","0.13","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","1","","","- C22 H21 Cl3 F N O4 -","- C22 H21 Cl3 F N O4 -","- C44 H42 Cl6 F2 N2 O8 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0801","0.0642","","","0.1685","0.18","","","","","","1.044","","","","has coordinates","235711","2020-10-21","18:00:00",""
"4037144","6.3639","0.0002","8.9633","0.0002","17.8417","0.0005","78.27","0.001","81.768","0.001","71.215","0.001","940.07","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N O4 -","- C22 H18 Br N O4 -","- C44 H36 Br2 N2 O8 -","2","1","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.0355","0.0279","","","0.0746","0.0857","","","","","","1.081","","","","has coordinates","235712","2020-10-21","18:00:00",""
"4037145","24.739","0.002","6.5307","0.0006","22.413","0.002","90","","90","","90","","3621.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 Cl N O3 -","- C22 H18 Cl N O3 -","- C176 H144 Cl8 N8 O24 -","8","2","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.1455","0.0578","","","0.1214","0.165","","","","","","0.944","","","","has coordinates","235713","2020-10-21","18:00:00",""
"4037146","32.0719","0.0007","9.2396","0.0002","20.2331","0.0004","90","","109.779","0.001","90","","5642","0.2","296","","296","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C264 H240 N32 O24 -","8","2","","Zhu, Qiu-Ning; Zhang, Yu-Chen; Xu, Meng-Meng; Sun, Xiao-Xue; Yang, Xue; Shi, Feng","Enantioselective Construction of Tetrahydroquinolin-5-one-Based Spirooxindole Scaffold via an Organocatalytic Asymmetric Multicomponent [3 + 3] Cyclization.","The Journal of organic chemistry","2016","81","17","7898","7907","10.1021/acs.joc.6b01598","","","1.54178","CuKα","","0.0707","0.054","","","0.1393","0.1557","","","","","","1.005","","","","has coordinates","235715","2020-10-21","18:00:00",""
"4037147","10.3127","0.0007","15.4821","0.001","17.4751","0.001","90","","90","","90","","2790.1","0.3","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H32 N8 O8 -","- C30 H32 N8 O8 -","- C120 H128 N32 O32 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.07","0.0351","","","0.068","0.0733","","","","","","0.883","","","","has coordinates","235717","2020-10-21","18:00:00",""
"4037148","12.7798","0.001","15.4587","0.0011","19.4909","0.0011","90","","90","","90","","3850.6","0.5","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H42.5 Cl6 N8 O6.25 -","- C34 H42 Cl6 N8 O6.25 -","- C136 H168 Cl24 N32 O25 -","4","0.5","","Lizal, Tomas; Ustrnul, Lukas; Necas, Marek; Sindelar, Vladimir","Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation.","The Journal of organic chemistry","2016","81","19","8906","8910","10.1021/acs.joc.6b01602","","","0.71073","MoKα","","0.0678","0.0365","","","0.0783","0.0827","","","","","","0.874","","","","has coordinates","235718","2020-10-21","18:00:00",""
"4037149","7.7978","0.0018","12.383","0.003","15.345","0.004","90","","90","","90","","1481.7","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0319","0.0303","","","0.0832","0.0846","","","","","","1.135","","","","has coordinates","235719","2020-10-21","18:00:00",""
"4037150","16.3707","0.0004","9.479","0.0002","11.3192","0.0003","90","","90","","90","","1756.49","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0355","0.0324","","","0.0866","0.088","","","","","","1.073","","","","has coordinates","235720","2020-10-21","18:00:00",""
"4037151","9.2535","0.0012","7.9107","0.0008","17.528","0.01","90","","104.79","0.03","90","","1240.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0706","0.0483","","","0.1109","0.1249","","","","","","1.038","","","","has coordinates","235721","2020-10-21","18:00:00",""
"4037152","14.2317","0.0008","8.1922","0.0004","15.0607","0.0007","90","","94.054","0.004","90","","1751.52","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0763","0.0513","","","0.1209","0.1371","","","","","","1.036","","","","has coordinates","235722","2020-10-21","18:00:00",""
"4037153","7.7399","0.0002","11.9828","0.0003","15.8596","0.0004","90","","90","","90","","1470.91","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","1.54184","CuKα","","0.0351","0.0334","","","0.0891","0.0906","","","","","","1.068","","","","has coordinates","235723","2020-10-21","18:00:00",""
"4037154","10.3267","0.0002","16.3628","0.0004","23.168","0.0006","90","","90","","90","","3914.78","0.16","293","2","293","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C184 H200 N24 O16 -","8","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.1522","0.0994","","","0.1966","0.2497","","","","","","1.184","","","","has coordinates","235725","2020-10-21","18:00:00",""
"4037155","14.5243","0.0009","9.1341","0.0005","13.5926","0.0007","90","","103.748","0.006","90","","1751.62","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","0.71073","MoKα","","0.0679","0.0474","","","0.1073","0.121","","","","","","1.044","","","","has coordinates","235727","2020-10-21","18:00:00",""
"4037156","13.1645","0.0003","18.243","0.0003","8.3056","0.0001","90","","104.309","0.002","90","","1932.79","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","1.54184","","","0.0584","0.0487","","","0.1311","0.1421","","","","","","1.042","","","","has coordinates","235729","2020-10-21","18:00:00",""
"4037157","10.5786","0.001","17.4231","0.0017","22.099","0.002","90","","90","","90","","4073.1","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 Cl N2 Pd -","- C51 H51 Cl N2 Pd -","- C204 H204 Cl4 N8 Pd4 -","4","1","","Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu","Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System.","The Journal of organic chemistry","2016","81","19","8934","8946","10.1021/acs.joc.6b01609","","","0.71075","MoKα","","0.03","0.0271","","","0.0607","0.0671","","","","","","1.077","","","","has coordinates","235731","2020-10-21","18:00:00",""
"4037158","14.091","0.002","12.527","0.002","27.256","0.004","90","","92.128","0.003","90","","4807.9","1.2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Cl2 F6 N2 Pd Sb -","- C52 H46 Cl2 F6 N2 Pd Sb -","- C208 H184 Cl8 F24 N8 Pd4 Sb4 -","4","1","","Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu","Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System.","The Journal of organic chemistry","2016","81","19","8934","8946","10.1021/acs.joc.6b01609","","","0.71075","MoKα","","0.0813","0.0638","","","0.1344","0.1451","","","","","","1.072","","","","has coordinates","235731","2020-10-21","18:00:00",""
"4037159","9.586","0.004","10.266","0.004","19.842","0.008","90","","90","","90","","1952.6","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Liu, Ye; Ren, Wei-Min; He, Ke-Ke; Zhang, Wen-Zhen; Li, Wen-Bing; Wang, Meng; Lu, Xiao-Bing","CO<sub>2</sub>-Mediated Formation of Chiral Carbamates from meso-Epoxides via Polycarbonate Intermediates.","The Journal of organic chemistry","2016","81","19","8959","8966","10.1021/acs.joc.6b01616","","","0.71073","MoKα","","0.0984","0.0438","","","0.0982","0.1171","","","","","","1.007","","","","has coordinates","235733","2020-10-21","18:00:00",""
"4037160","7.794","0.0004","10.8229","0.0005","22.0776","0.0014","90","","96.438","0.005","90","","1850.58","0.17","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C84 H88 O28 -","4","1","","Inman, Martyn; Carvalho, Catarina; Lewis, William; Moody, Christopher J.","Synthesis of the Reported Pyranonaphthoquinone Structure of the Indoleamine-2,3-dioxygenase Inhibitor Annulin B by Regioselective Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","7924","7930","10.1021/acs.joc.6b01622","","x-ray","1.54184","CuKα","","0.0402","0.0371","","","0.0978","0.1","","","","","","1.044","","","","has coordinates","235735","2020-10-21","18:00:00",""
"4037161","13.4784","0.0009","10.3443","0.0007","10.47","0.0007","90","","97.12","0.006","90","","1448.52","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O6 -","- C14 H13 Br O6 -","- C56 H52 Br4 O24 -","4","1","","Inman, Martyn; Carvalho, Catarina; Lewis, William; Moody, Christopher J.","Synthesis of the Reported Pyranonaphthoquinone Structure of the Indoleamine-2,3-dioxygenase Inhibitor Annulin B by Regioselective Diels-Alder Reaction.","The Journal of organic chemistry","2016","81","17","7924","7930","10.1021/acs.joc.6b01622","","x-ray","1.54184","CuKα","","0.0478","0.0441","","","0.1112","0.1136","","","","","","1.098","","","","has coordinates","235736","2020-10-21","18:00:00",""
"4037162","11.085","","12.4569","0.0004","13.1946","0.0006","82.61","0.012","78.913","0.013","66.044","0.009","1631.35","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H41 N2 O3 -","- C39 H41 N2 O3 -","- C78 H82 N4 O6 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MoKα","","0.0936","0.0799","","","0.2384","0.2582","","","","","","1.075","","","","has coordinates","235737","2020-10-21","18:00:00",""
"4037163","9.8019","0.0003","10.9059","0.0004","14.889","0.003","88.7","0.04","76.55","0.04","65.55","0.03","1404.3","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 N2 O3 S -","- C34 H31 N2 O3 S -","- C68 H62 N4 O6 S2 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71075","MoKα","","0.1596","0.1065","","","0.2717","0.3112","","","","","","1.5759","","","","has coordinates","235739","2020-10-21","18:00:00",""
"4037164","13.9914","0.0006","9.7455","0.0004","19.645","0.0007","90","","93.161","0.003","90","","2674.58","0.19","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N O3 S -","- C31 H29 N O3 S -","- C124 H116 N4 O12 S4 -","4","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MOKα","","0.147786","0.063522","","","","0.185048","","","","","","0.996549","","","","has coordinates","235740","2020-10-21","18:00:00",""
"4037165","8.8959","0.0005","11.9585","0.0007","13.9954","0.0013","89.79","0.009","85.921","0.007","78.734","0.008","1456.39","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O3 -","- C36 H34 N2 O3 -","- C72 H68 N4 O6 -","2","1","","Gopalakrishnan, Bojan; Mohan, Sruthi; Parella, Ramarao; Babu, Srinivasarao Arulananda","Diastereoselective Pd(II)-Catalyzed sp<sup>3</sup> C-H Arylation Followed by Ring Opening of Cyclopropanecarboxamides: Construction of anti β-Acyloxy Carboxamide Derivatives.","The Journal of organic chemistry","2016","81","19","8988","9005","10.1021/acs.joc.6b01635","","","0.71073","MoKα","","0.071","0.0573","","","0.1565","0.1733","","","","","","1.08","","","","has coordinates","235742","2020-10-21","18:00:00",""
"4037166","8.62184","0.00014","15.212","0.0003","16.4772","0.0002","90","","90","","90","","2161.07","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O5 S2 -","- C23 H19 N O5 S2 -","- C92 H76 N4 O20 S8 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0886","0.0913","","","","","","1.033","","","","has coordinates","235744","2020-10-21","18:00:00",""
"4037167","8.6723","0.0002","16.0081","0.0004","16.3709","0.0003","90","","90","","90","","2272.72","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O5 S -","- C24 H20 N2 O5 S -","- C96 H80 N8 O20 S4 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","","1.54184","CuKα","","0.0447","0.0378","","","0.0914","0.0958","","","","","","1.017","","","","has coordinates","235745","2020-10-21","18:00:00",""
"4037168","12.5052","0.0008","11.2594","0.0006","17.0731","0.0009","90","","102.914","0.002","90","","2343.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 S2 -","- C27 H18 N2 O4 S2 -","- C108 H72 N8 O16 S8 -","4","1","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.084","0.0549","","","0.1359","0.1628","","","","","","1.081","","","","has coordinates","235748","2020-10-21","18:00:00",""
"4037169","23.3663","0.0014","15.2047","0.001","34.53","0.003","90","","90","","90","","12267.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H25 N O4 S -","- C42 H25 N O4 S -","- C672 H400 N16 O64 S16 -","16","2","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.114","0.0618","","","0.1124","0.1427","","","","","","1.228","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"4037170","12.1347","0.0005","12.0708","0.0005","17.6391","0.0007","90","","108.617","0.002","90","","2448.5","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 N2 O5 S -","- C30 H18 N2 O5 S -","- C120 H72 N8 O20 S4 -","4","1","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.0779","0.0425","","","0.1066","0.1312","","","","","","1.046","","","","has coordinates,has disorder","235751","2020-10-21","18:00:00",""
"4037171","14.2395","0.0014","17.3295","0.0017","18.5476","0.0018","74","0.003","68.894","0.003","76.175","0.003","4054.3","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 Si2 -","- C44 H52 N4 Si2 -","- C176 H208 N16 Si8 -","4","2","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1926","0.1186","","","0.2852","0.3145","","","","","","1.601","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037172","7.634","0.003","14.662","0.005","17.126","0.006","87.278","0.007","84.165","0.009","82.636","0.008","1890.1","1.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C84 H104 N4 Si4 -","2","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1288","0.0723","","","0.1675","0.1925","","","","","","1.111","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037173","36.272","0.008","7.413","0.0016","29.889","0.007","90","","94.279","0.005","90","","8014","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 N2 Si2 -","- C46 H54 N2 Si2 -","- C368 H432 N16 Si16 -","8","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.088","0.0514","","","0.113","0.128","","","","","","1.019","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037174","13.744","0.012","17.701","0.015","19.206","0.016","104.207","0.019","90.814","0.017","97.893","0.019","4481","7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H56 N2 Si2 -","- C50 H56 N2 Si2 -","- C200 H224 N8 Si8 -","4","2","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.2939","0.2307","","","0.5188","0.5534","","","","","","1.127","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037175","8.241","0.003","14.201","0.005","17.856","0.006","68.71","0.008","80.696","0.008","74.394","0.008","1870.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 N4 S Si2 -","- C42 H50 N4 S Si2 -","- C84 H100 N8 S2 Si4 -","2","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1658","0.0838","","","0.1517","0.1893","","","","","","1.053","","","","has coordinates,has disorder","235755","2020-10-21","18:00:00",""
"4037176","17.83","0.002","19.068","0.002","13.5277","0.0016","90","","92.34","0.004","90","","4595.3","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H61 N4 Si2 -","- C51 H61 N4 Si2 -","- C204 H244 N16 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1384","0.0677","","","0.1685","0.2035","","","","","","1.015","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037177","8.8801","0.001","18.143","0.002","21.186","0.003","90","","96.813","0.002","90","","3389.2","0.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 N2 Si2 -","- C37 H50 N2 Si2 -","- C148 H200 N8 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.0829","0.0557","","","0.1103","0.1278","","","","","","1.045","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037178","17.38","0.009","8.062","0.004","27.836","0.013","90","","104.082","0.011","90","","3783","3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 Si2 -","- C41 H52 N2 Si2 -","- C164 H208 N8 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.1246","0.0777","","","0.1928","0.2227","","","","","","1.043","","","","has coordinates","235755","2020-10-21","18:00:00",""
"4037179","7.369","0.004","12.752","0.007","37.432","0.019","90","","91.497","0.014","90","","3516","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 N4 S Si2 -","- C37 H48 N4 S Si2 -","- C148 H192 N16 S4 Si8 -","4","1","","Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Bent N-Heteroarenes.","The Journal of organic chemistry","2016","81","18","8485","8494","10.1021/acs.joc.6b01654","","","0.71073","MoKα","","0.2248","0.1467","","","0.3441","0.3972","","","","","","1.104","","","","has coordinates,has disorder","235755","2020-10-21","18:00:00",""
"4037180","21.051","0.005","12.709","0.003","21.176","0.005","90","","95.281","0.004","90","","5641","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C288 H228 N36 O24 -","12","3","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Zhuang, Shi-Yi; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Double Cyclization: A One-pot, Metal-free Route to Synthesize Polyfunctional 4,9-Dihydropyrrolo[2,1-b]quinazolines.","The Journal of organic chemistry","2016","81","17","8104","8111","10.1021/acs.joc.6b01660","","","0.71073","MoKα","","0.0722","0.0512","","","0.1151","0.1265","","","","","","1.007","","","","has coordinates","235757","2020-10-21","18:00:00",""
"4037181","7.67729","0.00019","11.606","0.0003","18.358","0.0004","90","","98.515","0.002","90","","1617.72","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Galenko, Ekaterina E.; Galenko, Alexey V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shakirova, Julia R.","Synthesis and Intramolecular Azo Coupling of 4-Diazopyrrole-2-carboxylates: Selective Approach to Benzo and Hetero [c]-Fused 6H-Pyrrolo[3,4-c]pyridazine-5-carboxylates.","The Journal of organic chemistry","2016","81","18","8495","8507","10.1021/acs.joc.6b01662","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.0991","0.1032","","","","","","1.015","","","","has coordinates","235759","2020-10-21","18:00:00",""
"4037182","15.056","0.005","18.465","0.006","14.884","0.007","90","","113.188","0.005","90","","3804","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C176 H136 F24 N16 O16 -","8","1","","Zheng, Danqing; Liu, Tong; Liu, Xia; Fan, Xiaona; Wu, Jie","Route for the Generation of Trifluoromethyl-Substituted Pyrrplo[3,2-c]quinolines.","The Journal of organic chemistry","2016","81","19","9428","9432","10.1021/acs.joc.6b01669","","","0.71073","MoKα","","0.113","0.0552","","","0.1573","0.1895","","","","","","0.994","","","","has coordinates","235761","2020-10-21","18:00:00",""
"4037183","9.9929","0.0002","13.6834","0.0003","14.2187","0.0004","91.33","0.001","101.921","0.001","106.706","0.001","1814.91","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","2","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0651","0.0411","","","0.1204","0.1484","","","","","","1.122","","","","has coordinates","235763","2020-10-21","18:00:00",""
"4037184","7.9748","0.0003","8.509","0.0004","13.9508","0.0006","78.351","0.001","78.914","0.001","75.957","0.001","889.17","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0401","0.0348","","","0.0917","0.0959","","","","","","1.072","","","","has coordinates","235764","2020-10-21","18:00:00",""
"4037185","27.1","0.004","7.4176","0.0012","6.8847","0.0011","90","","97.264","0.004","90","","1372.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F2 N3 -","- C17 H11 F2 N3 -","- C68 H44 F8 N12 -","4","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.1825","0.1715","","","0.466","0.4718","","","","","","1.091","","","","has coordinates","235766","2020-10-21","18:00:00",""
"4037186","26.157","0.002","7.4363","0.0005","6.8127","0.0005","90","","96.808","0.004","90","","1315.8","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Chan, Chieh-Kai; Chan, Yi-Ling; Tsai, Yu-Lin; Chang, Meng-Yang","One-Pot Synthesis of 2-Cyano-1,4-diketones: Applications to Synthesis of Cyanosubstituted Furans, Pyrroles, and Dihydropyridazines.","The Journal of organic chemistry","2016","81","17","8112","8120","10.1021/acs.joc.6b01672","","","0.71073","MoKα","","0.0715","0.0464","","","0.1145","0.1457","","","","","","1.09","","","","has coordinates","235767","2020-10-21","18:00:00",""
"4037187","8.6878","0.0005","11.5528","0.0007","13.1521","0.001","90.495","0.006","109.012","0.006","99.53","0.005","1228.05","0.15","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 F3 N3 O2 S -","- C28 H22 F3 N3 O2 S -","- C56 H44 F6 N6 O4 S2 -","2","1","","Li, Zhenmin; Zhou, Xiaorong; Lu, Ping; Wang, Yanguang","Preparation of 3-Aryl-2-aminoindoles via Rhodium-Catalyzed Coupling Reaction between 2-Arylpyridines and 3-Diazoindolin-2-imines.","The Journal of organic chemistry","2016","81","19","9433","9437","10.1021/acs.joc.6b01678","","","0.71073","MoKα","","0.0697","0.0548","","","0.131","0.1448","","","","","","1.043","","","","has coordinates","235769","2020-10-21","18:00:00",""
"4037188","20.393","0.0013","23.8095","0.0014","10.623","0.0006","90","","90","","90","","5158","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethyl 4-(1-benzyl-1H-tetrazol-5-yl)-1-cyclohexyl-3-methylene-5-phenylpyrrolidine-2-carboxylate","","- C28 H33 N5 O2 -","- C28 H33 N5 O2 -","- C224 H264 N40 O16 -","8","2","","Cardoso, Ana L.; Henriques, Marta S. C.; Paixão, José A; Pinho E Melo, Teresa M V D","(1H-Tetrazol-5-yl)-Allenes: Building Blocks for Tetrazolyl Heterocycles.","The Journal of organic chemistry","2016","81","19","9028","9036","10.1021/acs.joc.6b01679","","","0.71073","MoKα","","0.1935","0.0626","","","0.1256","0.1713","","","","","","0.965","","","","has coordinates","235771","2020-10-21","18:00:00",""
"4037189","12.093","0.0003","21.491","0.0004","38.198","0.001","90","","90","","90","","9927.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.5418","CuKα","","0.1349","0.0692","","","0.1453","0.1787","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037190","12.1588","0.0002","21.3462","0.0006","38.1695","0.0005","90","","90","","90","","9906.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.54184","CuKα","","0.1991","0.1704","","","0.4484","0.4841","","","","","","1.846","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037191","12.159","0.0002","21.391","0.0004","38.188","0.0004","90","","90","","90","","9932.4","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","x-ray","1.54184","CuKα","","0.1308","0.0956","","","0.2498","0.28","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037192","12.284","","21.276","","38.207","","90","","90","","90","","9985.57","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","0.71073","MoKα","","0.1324","0.1214","","","0.3325","0.355","","","","","","1.534","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037193","20.0572","0.0001","20.0572","0.0001","26.9244","0.0001","90","","90","","120","","9380.31","0.07","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C60 H75 N2 O6 -","- C60 H75 N2 O6 -","- C360 H450 N12 O36 -","6","1","","Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong","An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement.","The Journal of organic chemistry","2016","81","22","10683","10687","10.1021/acs.joc.6b01682","","","1.54178","CuKα","","0.0422","0.041","","","0.1158","0.1172","","","","","","1.043","","","","has coordinates,has disorder","235781","2020-10-21","18:00:00",""
"4037194","11.2573","0.0005","11.5352","0.0005","15.1073","0.0006","76.412","0.004","87.183","0.004","80.002","0.004","1877.82","0.14","100","1","100","1","","","","","","","","4","P -1","-P 1","2","HA-364-1","2-Benzyl 6-methyl (1R,4S,6S)-6-((2-isobutoxy-6-isobutylphenyl)carbamoyl)- 5-(4-methoxyphenethyl)-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","- C41 H50 N2 O7 -","- C41 H50 N2 O7 -","- C82 H100 N4 O14 -","2","1","","Abas, Hossay; Frampton, Christopher S.; Spivey, Alan C.","Diels-Alder Reactions of α-Amido Acrylates with N-Cbz-1,2-dihydropyridine and Cyclopentadiene.","The Journal of organic chemistry","2016","81","20","9947","9956","10.1021/acs.joc.6b01684","","","1.54184","CuKα","","0.0866","0.0763","","","0.2127","0.2231","","","","","","1.011","","","","has coordinates","235783","2020-10-21","18:00:00",""
"4037195","13.613","0.002","17.506","0.005","17.927","0.005","108.335","0.012","101.007","0.004","90.798","0.004","3968.1","1.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H98 B2 Cl F8 N5 O4 -","- C86 H98 B2 Cl F8 N5 O4 -","- C172 H196 B4 Cl2 F16 N10 O8 -","2","1","","Yamakado, Ryohei; Sato, Ryuma; Shigeta, Yasuteru; Maeda, Hiromitsu","Ion-Pairing Crystal Polymorphs of Interlocked [2 + 1]-Type Receptor-Anion Complexes.","The Journal of organic chemistry","2016","81","18","8530","8536","10.1021/acs.joc.6b01688","","","1.54187","CuKα","","0.0343","0.0305","","","0.0825","0.0841","","","","","","1.061","","","","has coordinates,has disorder","275195","2022-05-07","02:58:26",""
"4037196","16.0367","0.0018","18.5146","0.0019","27.063","0.003","90","","92.969","0.004","90","","8024.6","1.5","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H98 B2 Cl F8 N5 O4 -","- C86 H98 B2 Cl F8 N5 O4 -","- C344 H392 B8 Cl4 F32 N20 O16 -","4","1","","Yamakado, Ryohei; Sato, Ryuma; Shigeta, Yasuteru; Maeda, Hiromitsu","Ion-Pairing Crystal Polymorphs of Interlocked [2 + 1]-Type Receptor-Anion Complexes.","The Journal of organic chemistry","2016","81","18","8530","8536","10.1021/acs.joc.6b01688","","","1.54187","CuKα","","0.0398","0.034","","","0.1188","0.1252","","","","","","1.071","","","","has coordinates","275195","2022-05-07","02:58:26",""
"4037197","9.1382","0.0005","11.9472","0.0006","11.4848","0.0007","90","","97.094","0.006","90","","1244.26","0.12","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0548","0.0389","","","0.0866","0.0954","","","","","","1.039","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037198","8.5662","0.0004","10.7642","0.0006","14.3417","0.0007","90","","90","","90","","1322.42","0.12","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0445","0.0368","","","0.0735","0.0785","","","","","","1.084","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037199","12.6365","0.0008","8.5132","0.0004","12.1579","0.0008","90","","116.664","0.008","90","","1168.82","0.15","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0644","0.0462","","","0.0987","0.111","","","","","","1.063","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037200","8.7384","0.0005","12.1279","0.0007","20.746","0.0011","90","","90","","90","","2198.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br N O3 -","- C24 H26 Br N O3 -","- C96 H104 Br4 N4 O12 -","4","1","","Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao","Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.","The Journal of organic chemistry","2016","81","18","8537","8543","10.1021/acs.joc.6b01703","","","0.71073","MoKα","","0.0525","0.0359","","","0.0678","0.0745","","","","","","1.021","","","","has coordinates","235790","2020-10-21","18:00:00",""
"4037201","9.4241","0.0003","10.3964","0.0003","10.5946","0.0003","68.361","0.001","78.531","0.001","83.62","0.001","944.79","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C42 H40 Br2 N2 O6 -","2","1","","Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao","Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.","The Journal of organic chemistry","2016","81","18","8537","8543","10.1021/acs.joc.6b01703","","","0.71073","MoKα","","0.0433","0.0355","","","0.0977","0.1032","","","","","","1.052","","","","has coordinates","235792","2020-10-21","18:00:00",""
"4037202","9.49728","0.00011","21.3932","0.0002","6.35861","0.00009","90","","90","","90","","1291.92","0.03","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H16 N4 O4 -","- C10 H16 N4 O4 -","- C40 H64 N16 O16 -","4","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0289","0.0283","","","0.0757","0.0763","","","","","","1.046","","","","has coordinates","235794","2020-10-21","18:00:00",""
"4037203","9.44384","0.00014","6.72231","0.00009","10.34284","0.00017","90","","96.4986","0.0014","90","","652.39","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C20 H32 N8 O10 -","2","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0259","0.0251","","","0.0648","0.0657","","","","","","1.052","","","","has coordinates","235795","2020-10-21","18:00:00",""
"4037204","12.2766","0.0002","11.1657","0.0003","12.4961","0.0003","90","","99.727","0.002","90","","1688.3","0.07","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O5 -","- C15 H20 N4 O5 -","- C60 H80 N16 O20 -","4","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","0.71073","MoKα","","0.0509","0.0437","","","0.1157","0.1199","","","","","","1.07","","","","has coordinates","235797","2020-10-21","18:00:00",""
"4037205","10.805","0.0003","11.4659","0.0003","13.3709","0.0004","111.885","0.003","90.695","0.002","93.75","0.002","1532.65","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","2","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.047","0.0404","","","0.1071","0.1125","","","","","","1.042","","","","has coordinates","235798","2020-10-21","18:00:00",""
"4037206","14.0313","0.0008","8.1798","0.0003","24.203","0.0013","90","","104.913","0.004","90","","2684.3","0.2","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","17,18-diacetyl-3,4,7,8,11,12-hexahydro-2,20:13,16-dietheno- 6,9-benzodioxacyclooctadecine-5,10-dione","","- C30 H30 O7 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","Wessig, Pablo; Czarnecki, Maciej; Badetko, Dominik; Schilde, Uwe; Kelling, Alexandra","Photochemical Synthesis of Both Strained and Macrocyclic (1,7)Naphthalenophanes.","The Journal of organic chemistry","2016","81","19","9147","9157","10.1021/acs.joc.6b01707","","","0.71073","MoKα","","0.0488","0.0381","","","0.1028","0.1076","","","","","","1.035","","","","has coordinates,has disorder","235800","2020-10-21","18:00:00",""
"4037207","8.552","0.0012","28.963","0.004","12.2072","0.0018","90","","109.547","0.002","90","","2849.4","0.7","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C140 H144 N8 O16 -","4","1","","Tang, Zhongzhong; Liu, Zhiqiang; An, Yu; Jiang, Ruolan; Zhang, Xinglu; Li, Chunju; Jia, Xueshun; Li, Jian","Isocyanide-Based Multicomponent Bicyclization with Substituted Allenoate and Isatin: Synthesis of Unusual Spirooxindole Containing [5.5]-Fused Heterocycle.","The Journal of organic chemistry","2016","81","19","9158","9166","10.1021/acs.joc.6b01711","","","0.71073","MoKα","","0.0791","0.0579","","","0.1694","0.1891","","","","","","1.03","","","","has coordinates","235802","2020-10-21","18:00:00",""
"4037208","12.126","0.01","5.863","0.005","24.164","0.019","90","","103.359","0.013","90","","1671","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl N2 S -","- C20 H15 Cl N2 S -","- C80 H60 Cl4 N8 S4 -","4","1","","Ravi, Chitrakar; Reddy, N. Naresh Kumar; Pappula, Venkatanarayana; Samanta, Supravat; Adimurthy, Subbarayappa","Copper-Catalyzed Three-Component System for Arylsulfenylation of Imidazopyridines with Elemental Sulfur.","The Journal of organic chemistry","2016","81","20","9964","9972","10.1021/acs.joc.6b01715","","","0.71073","MoKα","","0.1208","0.089","","","0.1788","0.1906","","","","","","1.179","","","","has coordinates","235803","2020-10-21","18:00:00",""
"4037209","5.8776","0.0009","16.487","0.003","21.673","0.004","90","","90","0.003","90","","2100.2","0.6","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C92 H88 Fe4 N8 O16 S4 -","4","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.05","0.0457","","","0.0977","0.1009","","","","","","1.042","","","","has coordinates,has disorder","235805","2020-10-21","18:00:00",""
"4037210","10.261","0.002","9.2285","0.0018","11.932","0.003","90","","112.594","0.003","90","","1043.2","0.4","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C46 H44 Fe2 N4 O8 S2 -","2","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.037","0.0302","","","0.0662","0.0682","","","","","","0.996","","","","has coordinates","235806","2020-10-21","18:00:00",""
"4037211","18.17","0.017","4.534","0.004","19.969","0.018","90","","90","","90","","1645","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Huang, Zhi-You; Yang, Jing-Fang; Song, Ke; Chen, Qian; Zhou, Shao-Lin; Hao, Ge-Fei; Yang, Guang-Fu","One-Pot Approach to N-Quinolyl 3'/4'-Biaryl Carboxamides by Microwave-Assisted Suzuki-Miyaura Coupling and N-Boc Deprotection.","The Journal of organic chemistry","2016","81","20","9647","9657","10.1021/acs.joc.6b01725","","","0.71073","MoKα","","0.1047","0.0685","","","0.1883","0.2385","","","","","","1.051","","","","has coordinates","235808","2020-10-21","18:00:00",""
"4037212","7.361","0.002","7.922","0.002","15.443","0.005","93.97","0.03","103.51","0.03","107.9","0.03","823.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C44 H32 N4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1078","0.0607","","","0.1444","0.1626","","","","","","0.898","","","","has coordinates,has disorder","235811","2020-10-21","18:00:00",""
"4037213","7.011","0.002","8.377","0.002","15.363","0.005","100.03","0.03","94.52","0.03","105.83","0.03","847.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1948","0.0749","","","0.1454","0.1759","","","","","","0.846","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037214","19.946","0.006","13.024","0.004","18.084","0.006","90","","120.95","0.03","90","","4029","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.0529","0.0442","","","0.1239","0.1288","","","","","","1.107","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037215","7.284","0.002","9.238","0.003","14.084","0.005","97.6","0.03","91.2","0.03","109.8","0.04","881.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","1.5418","CuKα","","0.1731","0.0748","","","0.1437","0.1582","","","","","","0.934","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037216","7.668","0.003","11.842","0.004","13.298","0.005","92.89","0.03","93.77","0.03","104.73","0.04","1162.5","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C60 H50 N2 O4 -","2","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","0.71073","MoKα","","0.1013","0.0717","","","0.1797","0.2112","","","","","","1.026","","","","has coordinates,has disorder","235811","2020-10-21","18:00:00",""
"4037217","15.996","0.005","6.903","0.002","17.091","0.006","90","","105.9","0.03","90","","1815","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C96 H64 N8 O8 -","4","1","","Pigulski, Bartłomiej; Arendt, Agata; Tomilin, Denis N.; Sobenina, Lyubov N.; Trofimov, Boris A.; Szafert, Sławomir","Transition-Metal Free Mechanochemical Approach to Polyyne Substituted Pyrroles.","The Journal of organic chemistry","2016","81","19","9188","9198","10.1021/acs.joc.6b01732","","","1.5418","CuKα","","0.099","0.067","","","0.17","0.1847","","","","","","0.884","","","","has coordinates","235811","2020-10-21","18:00:00",""
"4037218","11.106","0.0005","10.7491","0.0005","23.3289","0.0011","90","","90","","90","","2785","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C112 H152 N8 O32 -","8","1","","Rit, Raja K.; Ghosh, Koushik; Mandal, Rajib; Sahoo, Akhila K.","Ruthenium-Catalyzed Intramolecular Hydroarylation of Arenes and Mechanistic Study: Synthesis of Dihydrobenzofurans, Indolines, and Chromans.","The Journal of organic chemistry","2016","81","18","8552","8560","10.1021/acs.joc.6b01734","","","0.71073","MoKα","","0.0401","0.0377","","","0.1016","0.1038","","","","","","1.053","","","","has coordinates","235814","2020-10-21","18:00:00",""
"4037219","10.6905","0.0012","7.8348","0.0009","11.618","0.0013","90","","102.791","0.002","90","","948.95","0.19","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Wang, Yu; Jiang, Chen-Min; Li, Hong-Liang; He, Fu-Sheng; Luo, Xiaoyan; Deng, Wei-Ping","Regioselective Iodine-Catalyzed Construction of Polysubstituted Pyrroles from Allenes and Enamines.","The Journal of organic chemistry","2016","81","18","8653","8658","10.1021/acs.joc.6b01737","","","0.71073","MoKα","","0.0489","0.0354","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","235815","2020-10-21","18:00:00",""
"4037220","8.962","0.009","7.654","0.007","11.568","0.012","90","","101.058","0.009","90","","778.8","1.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H11 Br N O5 S -","- C15 H11 Br N O5 S -","- C30 H22 Br2 N2 O10 S2 -","2","1","","Jia, Chun-Man; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An","Catalytic Asymmetric Decarboxylative Mannich Reaction of Malonic Acid Half Esters with Cyclic Aldimines: Access to Chiral β-Amino Esters and Chroman-4-amines.","The Journal of organic chemistry","2016","81","18","8561","8569","10.1021/acs.joc.6b01750","","","0.71073","MoKα","","0.0984","0.0897","","","0.2725","0.2784","","","","","","1.096","","","","has coordinates","235817","2020-10-21","18:00:00",""
"4037221","7.2107","0.0007","14.9108","0.0014","16.2218","0.0015","115.006","0.004","90.24","0.004","100.357","0.004","1548.6","0.3","159","2","159.14","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","2","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.0967","0.0776","","","0.2056","0.2206","","","","","","1.0717","","","","has coordinates","235819","2020-10-21","18:00:00",""
"4037222","8.6317","0.0007","14.0216","0.0016","16.5617","0.0018","90","","96.618","0.003","90","","1991.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","x-ray","0.71073","MoKα","","0.0909","0.0488","","","0.1087","0.1266","","","","","","1.021","","","","has coordinates","235820","2020-10-21","18:00:00",""
"4037223","9.1126","0.0007","10.0605","0.0007","22.4378","0.0017","90","","92.334","0.003","90","","2055.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","x-ray","0.71073","MoKα","","0.1544","0.1131","","","0.3168","0.3446","","","","","","1.172","","","","has coordinates","235822","2020-10-21","18:00:00",""
"4037224","8.5362","0.0007","16.2261","0.0012","14.2507","0.0012","90","","90.684","0.003","90","","1973.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N2 O2 -","- C20 H22 Cl N2 O2 -","- C80 H88 Cl4 N8 O8 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.1895","0.0767","","","0.1595","0.1948","","","","","","1.0964","","","","has coordinates,has disorder","235823","2020-10-21","18:00:00",""
"4037225","8.4093","0.0005","15.7964","0.001","14.3323","0.0009","90","","93.2","0.003","90","","1900.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N2 O2 -","- C20 H22 F N2 O2 -","- C80 H88 F4 N8 O8 -","4","1","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.1408","0.0649","","","0.137","0.1647","","","","","","1.0603","","","","has coordinates,has disorder","235825","2020-10-21","18:00:00",""
"4037226","14.1543","0.0006","10.7829","0.0005","27.2987","0.0011","90","","103.799","0.001","90","","4046.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N2 O2 -","- C22 H25 Cl N2 O2 -","- C176 H200 Cl8 N16 O16 -","8","2","","Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit","Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp<sup>3</sup> and sp<sup>2</sup> C-H Bonds.","The Journal of organic chemistry","2016","81","19","9206","9218","10.1021/acs.joc.6b01771","","","0.71073","MoKα","","0.0585","0.044","","","0.1325","0.1448","","","","","","0.992","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037227","6.0753","0.0002","8.4967","0.0004","25.3797","0.0012","90","","90","","90","","1310.1","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br Cl N2 -","- C13 H12 Br Cl N2 -","- C52 H48 Br4 Cl4 N8 -","4","1","","Abudu Rexit, Abulikemu; Luo, Shiwei; Mailikezati, Maihemuti","Chiral Phosphoric Acid-Catalyzed Enantioselective Reductive Amination of 2-Pyridyl Ketones: Construction of Structurally Chiral Pyridine-Based Ligands.","The Journal of organic chemistry","2016","81","22","11384","11388","10.1021/acs.joc.6b01772","","","0.71073","MoKα","","0.0617","0.0375","","","0.0651","0.0738","","","","","","1.064","","","","has coordinates","235829","2020-10-21","18:00:00",""
"4037228","14.4232","0.0008","10.4715","0.0007","17.3666","0.0013","90","","90","","90","","2622.9","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H15 N -","- C18 H15 N -","- C144 H120 N8 -","8","2","","Yang, Ziqi; Lu, Ning; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Duan, Haifeng; Lin, Yingjie","Base-Promoted Intermolecular Cyclization of Substituted 3-Aryl(Heteroaryl)-3-chloroacrylaldehydes and Tetrahydroisoquinolines: An Approach to Access Pyrrolo[2,1-a]isoquinolines.","The Journal of organic chemistry","2016","81","23","11950","11955","10.1021/acs.joc.6b01781","","","0.71073","MoKα","","0.0519","0.0364","","","0.0891","0.0987","","","","","","1.055","","","","has coordinates,has disorder","235831","2020-10-21","18:00:00",""
"4037229","8.307","0.005","10.097","0.006","11.253","0.007","74.012","0.014","77.182","0.013","70.798","0.014","847.9","0.9","297","1","297","1","","","","","","","","3","P -1","-P 1","2","","3-phenyl-1-(piperidin-1-yl)octahydroindolizine","","- C19 H28 N2 -","- C19 H28 N2 -","- C38 H56 N4 -","2","1","","Albaladejo, María José; González-Soria, María José; Alonso, Francisco","Synthesis of Aminoindolizidines through the Chemoselective and Diastereoselective Catalytic Hydrogenation of Indolizines.","The Journal of organic chemistry","2016","81","20","9707","9717","10.1021/acs.joc.6b01782","","","0.71073","MoKα","","0.0909","0.05","","","0.113","0.1341","","","","","","1.026","","","","has coordinates","235833","2020-10-21","18:00:00",""
"4037230","16.4628","0.0012","6.9001","0.0005","18.9585","0.0019","90","","111.283","0.004","90","","2006.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H25.5 Cl1.5 O -","- C24 H26.5 Cl1.5 O -","- C96 H106 Cl6 O4 -","4","1","","Ye, Qun; Zhang, Zhen; Png, Zhuang Mao; Neo, Wei Teng; Lin, Tingting; Zeng, Huining; Xu, Hui; Xu, Jianwei","Cyclization of Tetraaryl-Substituted Benzoquinones and Hydroquinones through the Scholl Reaction.","The Journal of organic chemistry","2016","81","19","9219","9226","10.1021/acs.joc.6b01785","","","1.54178","CuKα","","0.1929","0.0995","","","0.2515","0.2823","","","","","","1.026","","","","has coordinates,has disorder","235835","2020-10-21","18:00:00",""
"4037231","11.133","0.003","12.927","0.003","25.645","0.006","90","","90","","90","","3690.7","1.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O7 S -","- C41 H43 N O7 S -","- C164 H172 N4 O28 S4 -","4","1","","Harit, Vimal Kant; Ramesh, Namakkal G.","A Chiron Approach to Diversity-Oriented Synthesis of Aminocyclitols, (-)-Conduramine F-4 and Polyhydroxyaminoazepanes from a Common Precursor.","The Journal of organic chemistry","2016","81","23","11574","11586","10.1021/acs.joc.6b01790","","","0.71073","MoKα","","0.1134","0.0636","","","0.091","0.1032","","","","","","1.029","","","","has coordinates","235836","2020-10-21","18:00:00",""
"4037232","9.2191","0.0003","6.1121","0.0002","16.3411","0.0006","90","","90.496","0.002","90","","920.75","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","1.54178","CuKα","","0.0694","0.0534","","","0.102","0.1081","","","","","","1.048","","","","has coordinates","235838","2020-10-21","18:00:00",""
"4037233","7.1423","0.0003","10.4505","0.0005","25.2828","0.0011","90","","90","","90","","1887.12","0.15","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","0.71073","MoKα","","0.0392","0.0347","","","0.0811","0.0832","","","","","","1.056","","","","has coordinates","235839","2020-10-21","18:00:00",""
"4037234","12.359","0.002","9.5073","0.0015","18.697","0.003","90","","105.044","0.003","90","","2121.6","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 Cl2 N Pt -","- C21 H27 Cl2 N Pt -","- C84 H108 Cl8 N4 Pt4 -","4","2","","Igawa, Kazunobu; Machida, Kouhei; Noguchi, Kyouhei; Uehara, Kazuhiro; Tomooka, Katsuhiko","Synthesis and Stereochemical Analysis of Planar-Chiral (E)-4-[7]Orthocyclophene.","The Journal of organic chemistry","2016","81","23","11587","11593","10.1021/acs.joc.6b01799","","","0.71075","MoKα","","0.0375","0.0295","","","0.0591","0.061","","","","","","0.748","","","","has coordinates","235841","2020-10-21","18:00:00",""
"4037235","12.232","0.005","8.022","0.005","35.84","0.005","90","0.005","90","0.005","90","0.005","3517","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O2 S3 -","- C19 H14 O2 S3 -","- C152 H112 O16 S24 -","8","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.2886","0.084","","","0.1516","0.2472","","","","","","0.904","","","","has coordinates","235844","2020-10-21","18:00:00",""
"4037236","7.5233","0.0011","13.4451","0.0014","10.8452","0.0012","90","","104.929","0.013","90","","1060","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 O S3 -","- C10 H8 O S3 -","- C40 H32 O4 S12 -","4","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.1166","0.0827","","","0.2057","0.2298","","","","","","1.036","","","","has coordinates","235845","2020-10-21","18:00:00",""
"4037237","8.804","0.001","21.251","0.004","17.142","0.004","90","","117.382","0.011","90","","2847.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4,5-triaryl-benzonitrile","4-(2,4-Dimethoxyphen-1-yl)-5-(4-methoxyphen-1-yl) -3-methylsulfanyl-6-(naphthalen-1-yl)benzo-2-carbonitrile","","- C34 H29 N O3 S -","- C34 H29 N O3 S -","- C136 H116 N4 O12 S4 -","4","1","","Goel, Atul; Kumar, Vijay; Hemberger, Yasmin; Singh, Fateh V.; Nag, Pankaj; Knauer, Michael; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas Ranjan; Bringmann, Gerhard","Rotationally Hindered Biphenyls and Terphenyls: Synthesis, Molecular Dynamics, and Configurational Assignment.","The Journal of organic chemistry","2016","81","22","10721","10732","10.1021/acs.joc.6b01804","","","0.71073","MoKα","","0.1438","0.0679","","","0.1673","0.1997","","","","","","1.051","","","","has coordinates","235847","2020-10-21","18:00:00",""
"4037238","10.933","0.005","19.878","0.008","9.767","0.004","90","","97.907","0.006","90","","2102.4","1.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl2 N3 O S -","- C23 H17 Cl2 N3 O S -","- C92 H68 Cl8 N12 O4 S4 -","4","1","","Reddy, Chennakesava; Bisht, Narendra; Parella, Ramarao; Babu, Srinivasarao Arulananda","4-Amino-2,1,3-benzothiadiazole as a Removable Bidentate Directing Group for the Pd(II)-Catalyzed Arylation/Oxygenation of sp<sup>2</sup>/sp<sup>3</sup> β-C-H Bonds of Carboxamides.","The Journal of organic chemistry","2016","81","24","12143","12168","10.1021/acs.joc.6b01831","","","0.71073","MoKα","","0.1083","0.0871","","","0.274","0.295","","","","","","1.098","","","","has coordinates","235849","2020-10-21","18:00:00",""
"4037239","10.5783","0.0018","11.7721","0.0014","16.068","0.003","90","","104.864","0.007","90","","1934","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O3 S -","- C22 H17 N3 O3 S -","- C88 H68 N12 O12 S4 -","4","1","","Reddy, Chennakesava; Bisht, Narendra; Parella, Ramarao; Babu, Srinivasarao Arulananda","4-Amino-2,1,3-benzothiadiazole as a Removable Bidentate Directing Group for the Pd(II)-Catalyzed Arylation/Oxygenation of sp<sup>2</sup>/sp<sup>3</sup> β-C-H Bonds of Carboxamides.","The Journal of organic chemistry","2016","81","24","12143","12168","10.1021/acs.joc.6b01831","","","0.71075","MoKα","","0.1582","0.0731","","","0.1681","0.2138","","","","","","1.03","","","","has coordinates","235851","2020-10-21","18:00:00",""
"4037240","17.92","0.007","6.022","0.002","15.745","0.006","90","","99.297","0.006","90","","1676.8","1.1","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Marichev, Kostiantyn O.; Qiu, Huang; Offield, Austin C.; Arman, Hadi; Doyle, Michael P.","Catalyst-Free Rearrangement of Allenyl Aryldiazoacetates into 1,5-Dihydro-4H-pyrazol-4-ones.","The Journal of organic chemistry","2016","81","19","9235","9246","10.1021/acs.joc.6b01833","","","0.71073","MoKα","","0.1161","0.0785","","","0.1501","0.1761","","","","","","1.015","","","","has coordinates","235853","2020-10-21","18:00:00",""
"4037241","6.727","0.009","23.55","0.03","9.86","0.013","90","","90","","90","","1562","4","98","","98","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Marichev, Kostiantyn O.; Qiu, Huang; Offield, Austin C.; Arman, Hadi; Doyle, Michael P.","Catalyst-Free Rearrangement of Allenyl Aryldiazoacetates into 1,5-Dihydro-4H-pyrazol-4-ones.","The Journal of organic chemistry","2016","81","19","9235","9246","10.1021/acs.joc.6b01833","","","0.71075","MoKα","","0.1259","0.09","","","0.1652","0.1984","","","","","","1.039","","","","has coordinates","235854","2020-10-21","18:00:00",""
"4037242","7.832","0.004","10.744","0.005","12.557","0.006","112.171","0.006","97.626","0.007","105.108","0.006","912.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F N O3 -","- C21 H20 F N O3 -","- C42 H40 F2 N2 O6 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1064","0.0601","","","0.143","0.1586","","","","","","0.902","","","","has coordinates","235856","2020-10-21","18:00:00",""
"4037243","8.567","0.005","11.294","0.006","11.868","0.006","87.148","0.007","80.145","0.006","81.838","0.007","1119.5","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1135","0.089","","","0.2439","0.2627","","","","","","0.954","","","","has coordinates,has disorder","235856","2020-10-21","18:00:00",""
"4037244","9.181","0.009","11.85","0.011","14.065","0.013","100.841","0.016","93.205","0.016","101.852","0.016","1464","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H39 N O5 -","- C32 H39 N O5 -","- C64 H78 N2 O10 -","2","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1583","0.0798","","","0.2334","0.3205","","","","","","0.975","","","","has coordinates,has disorder","235856","2020-10-21","18:00:00",""
"4037245","12.985","0.007","4.03","0.002","32.768","0.017","90","","90.063","0.007","90","","1714.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Zhou, Quan; Zhang, Jing-Fan; Cao, Hui; Zhong, Rui; Hou, Xiu-Feng","Synthesis of o-Alkenylated 2-Arylbenzoxazoles via Rh-Catalyzed Oxidative Olefination of 2-Arylbenzoxazoles: Scope Investigation, Structural Features, and Mechanism Studies.","The Journal of organic chemistry","2016","81","24","12169","12180","10.1021/acs.joc.6b01836","","","0.71073","MoKα","","0.1032","0.0605","","","0.1319","0.1477","","","","","","0.91","","","","has coordinates","235856","2020-10-21","18:00:00",""
"4037246","19.146","0.014","7.452","0.006","12.716","0.009","90","","104.661","0.015","90","","1755","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C68 H100 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1056","0.0564","","","0.0922","0.1075","","","","","","1.032","","","","has coordinates","235858","2020-10-21","18:00:00",""
"4037247","19.901","0.011","9.308","0.005","10.561","0.006","90","","102.818","0.015","90","","1907.6","1.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2104","0.0972","","","0.217","0.2853","","","","","","0.967","","","","has coordinates","235860","2020-10-21","18:00:00",""
"4037248","7.1377","0.001","12.326","0.0018","18.63","0.003","90","","94.224","0.009","90","","1634.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 Si -","- C16 H23 N O2 Si -","- C64 H92 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1242","0.0815","","","0.183","0.2029","","","","","","1.079","","","","has coordinates","235861","2020-10-21","18:00:00",""
"4037249","26.426","0.012","26.426","0.012","7.039","0.004","90","","90","","120","","4257","4","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C20 H23 N O2 Si -","- C20 H23 N O2 Si -","- C180 H207 N9 O18 Si9 -","9","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2455","0.0744","","","0.0799","0.1087","","","","","","0.968","","","","has coordinates","235862","2020-10-21","18:00:00",""
"4037250","11.211","0.01","12.349","0.011","12.562","0.011","109.016","0.018","90.043","0.017","101.568","0.017","1607","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 N O2 Si -","- C16 H23 N O2 Si -","- C64 H92 N4 O8 Si4 -","4","2","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1585","0.1046","","","0.2574","0.2993","","","","","","1.003","","","","has coordinates","235864","2020-10-21","18:00:00",""
"4037251","17.6278","0.001","8.0278","0.0005","12.3398","0.0007","90","","104.078","0.004","90","","1693.79","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C68 H100 N4 O8 Si4 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.1083","0.0579","","","0.1027","0.1191","","","","","","0.993","","","","has coordinates","235865","2020-10-21","18:00:00",""
"4037252","7.729","0.015","7.756","0.014","12.5","0.03","88.7","0.07","77.13","0.08","87.28","0.07","730","3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2611","0.1106","","","0.2474","0.3285","","","","","","0.994","","","","has coordinates","235867","2020-10-21","18:00:00",""
"4037253","7.723","0.0003","21.791","0.001","10.8617","0.0004","90","","98.118","0.002","90","","1809.62","0.13","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.0471","0.0381","","","0.0952","0.1009","","","","","","1.032","","","","has coordinates","235868","2020-10-21","18:00:00",""
"4037254","11.8937","0.0003","14.4166","0.0004","16.4236","0.0004","90","","95.369","0.001","90","","2803.75","0.13","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.5 H70 F4 N8 O16.5 S4 -","- C48.5 H70 F4 N8 O16.5 S4 -","- C97 H140 F8 N16 O33 S8 -","2","1","","Dostie, Starr; Prévost, Michel; Mochirian, Philippe; Tanveer, Kashif; Andrella, Nicholas; Rostami, Ariana; Tambutet, Guillaume; Guindon, Yvan","Diastereoselective Synthesis of C2'-Fluorinated Nucleoside Analogues Using an Acyclic Approach.","The Journal of organic chemistry","2016","81","22","10769","10790","10.1021/acs.joc.6b01845","","x-ray","1.34139","GaKα","","0.0353","0.0347","","","0.0956","0.0964","","","","","","1.073","","","","has coordinates","235870","2020-10-21","18:00:00",""
"4037255","13.0925","0.0019","22.517","0.003","13.722","0.002","90","","111.181","0.005","90","","3772","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N O3 S -","- C22 H16 Cl N O3 S -","- C176 H128 Cl8 N8 O24 S8 -","8","2","","Zhou, Nengneng; Yan, Zhongfei; Zhang, Honglin; Wu, Zhongkai; Zhu, Chengjian","Metal-Free Radical Oxidative Cyclization of o-Azidoaryl Acetylenic Ketones with Sulfinic Acids To Access Sulfone-Containing 4-Quinolones.","The Journal of organic chemistry","2016","81","24","12181","12188","10.1021/acs.joc.6b01847","","","0.71073","MoKα","","0.092","0.0528","","","0.1008","0.1145","","","","","","1.015","","","","has coordinates","235872","2020-10-21","18:00:00",""
"4037256","13.63","0.002","9.0742","0.0015","15.598","0.003","90","","100.758","0.004","90","","1895.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Xu, Lanting; Tan, Lushi; Ma, Dawei","Iridium(III)-Catalyzed Regioselective C7-Amination of N-Pivaloylindoles with Sulfonoazides.","The Journal of organic chemistry","2016","81","21","10476","10483","10.1021/acs.joc.6b01856","","","0.71073","MoKα","","0.071","0.0498","","","0.1244","0.136","","","","","","1.054","","","","has coordinates","235874","2020-10-21","18:00:00",""
"4037257","8.497","0.002","23.827","0.006","14.555","0.004","90","","94.664","0.004","90","","2937","1.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BillMilesDMA","","","- C19 H19 N -","- C19 H19 N -","- C152 H152 N8 -","8","2","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.1473","0.0838","","","0.2127","0.2603","","","","","","1.032","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037258","27.495","0.003","7.3998","0.0008","16.2265","0.0017","90","","115.411","0.001","90","","2982","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BillMilesMeEster","","","- C19 H16 O2 -","- C19 H16 O2 -","- C152 H128 O16 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0595","0.045","","","0.1185","0.1295","","","","","","1.063","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037259","12.083","0.0008","13.9337","0.0009","9.7612","0.0007","90","","101.046","0.001","90","","1612.96","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MilesCrComplexH","","","- C20 H14 Cr O3 -","- C20 H14 Cr O3 -","- C80 H56 Cr4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.032","0.0299","","","0.09","0.0924","","","","","","1.019","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037260","12.1879","0.001","12.2813","0.001","12.4334","0.001","74.124","0.001","73.675","0.001","75.917","0.001","1689.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","BillMilesCrComplex","","","- C21 H16 Cr O3 -","- C21 H16 Cr O3 -","- C84 H64 Cr4 O12 -","4","2","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0396","0.0365","","","0.1186","0.1257","","","","","","1.049","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037261","13.5083","0.001","7.7384","0.0006","16.8191","0.0013","90","","100.05","0.001","90","","1731.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BillMilesOMe","","","- C21 H16 Cr O4 -","- C21 H16 Cr O4 -","- C84 H64 Cr4 O16 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0354","0.0331","","","0.0948","0.0972","","","","","","1.048","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037262","9.5858","0.0007","13.9734","0.001","12.3111","0.0009","90","","105.275","0.001","90","","1590.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MilesCrComplexF","","","- C20 H13 Cr F O3 -","- C20 H13 Cr F O3 -","- C80 H52 Cr4 F4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0359","0.0337","","","0.1132","0.1182","","","","","","1.04","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037263","9.278","0.005","18.516","0.009","13.957","0.007","90","","129.035","0.004","90","","1862.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BillMIlesDMAcomplexCr","","","- C22 H19 Cr N O3 -","- C22 H19 Cr N O3 -","- C88 H76 Cr4 N4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.1131","0.0707","","","0.1683","0.1968","","","","","","1.085","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037264","15.6716","0.0011","7.4384","0.0005","16.5885","0.0012","90","","107.183","0.001","90","","1847.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BillMilesCrEster","","","- C22 H16 Cr O5 -","- C22 H16 Cr O5 -","- C88 H64 Cr4 O20 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0548","0.0411","","","0.1056","0.1172","","","","","","1.022","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037265","11.6844","0.0007","10.6519","0.0006","17.8894","0.0011","90","","98.021","0.001","90","","2204.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BillMilesMnComplex","","","- C22 H18 B Cl2 F4 Mn O3 -","- C22 H18 B Cl2 F4 Mn O3 -","- C88 H72 B4 Cl8 F16 Mn4 O12 -","4","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0416","0.0385","","","0.0991","0.1021","","","","","","1.075","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037266","14.167","0.0009","14.7098","0.0009","19.8422","0.0012","90","","90","","90","","4135","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BillRuComp (DCM/ether)","","","- C23 H21 F6 P Ru -","- C23 H21 F6 P Ru -","- C184 H168 F48 P8 Ru8 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0682","0.0551","","","0.1559","0.1685","","","","","","1.057","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037267","11.63","0.03","18.97","0.05","12.18","0.03","90","","111.9","0.03","90","","2493","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Yang, Chi; Gao, Shang; Yao, Hequan; Lin, Aijun","Rhodium-Catalyzed Hydroacylation of para-Quinone Methides with Salicylaldehydes: An Approach to α,α-Diaryl-2-Hydroxy Acetophenones.","The Journal of organic chemistry","2016","81","23","11956","11964","10.1021/acs.joc.6b01859","","","0.71073","MoKα","","0.0553","0.0429","","","0.1258","0.1337","","","","","","1.058","","","","has coordinates","235879","2020-10-21","18:00:00",""
"4037268","4.9412","0.0011","25.169","0.006","10.106","0.003","90","","96.543","0.011","90","","1248.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O6 -","- C15 H12 O6 -","- C60 H48 O24 -","4","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0528","0.0381","","","0.0919","0.0995","","","","","","1.02","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037269","8.0547","0.0002","10.5273","0.0002","11.4975","0.0003","88.285","0.001","87.245","0.001","73.009","0.001","931.16","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C44 H42 N2 O12 -","2","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0399","0.0342","","","0.0878","0.0925","","","","","","1.033","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037270","18.263","0.0007","4.8365","0.0002","19.3532","0.0007","90","","100.698","0.001","90","","1679.74","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N O7 -","- C20 H16 N O7 -","- C80 H64 N4 O28 -","4","1","","Baker, Matthew B.; Ferreira, Renan B.; Tasseroul, Jonathan; Lampkins, Andrew J.; Al Abbas, Alexandre; Abboud, Khalil A.; Castellano, Ronald K.","Selective and Sequential Aminolysis of Benzotrifuranone: Synergism of Electronic Effects and Ring Strain Gradient.","The Journal of organic chemistry","2016","81","19","9279","9288","10.1021/acs.joc.6b01867","","","0.71073","MoKα","","0.0562","0.0433","","","0.1285","0.1367","","","","","","1.079","","","","has coordinates","235881","2020-10-21","18:00:00",""
"4037271","20.577","0.002","6.0864","0.0006","16.6191","0.0018","90","","106.465","0.005","90","","1996","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","1","","Mondal, Soumik; Sureshan, Kana M.","Carbasugar Synthesis via Vinylogous Ketal: Total Syntheses of (+)-MK7607, (-)-MK7607, (-)-Gabosine A, (-)-Epoxydine B, (-)-Epoxydine C, epi-(+)-Gabosine E and epi-(+)-MK7607.","The Journal of organic chemistry","2016","81","23","11635","11645","10.1021/acs.joc.6b01876","","","0.71073","MoKα","","0.0506","0.0425","","","0.1075","0.1161","","","","","","1.035","","","","has coordinates","235883","2020-10-21","18:00:00",""
"4037272","11.3423","0.0005","10.4132","0.0005","17.944","0.0009","90","","104.97","0.005","90","","2047.43","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O4 S2 -","- C21 H20 N2 O4 S2 -","- C84 H80 N8 O16 S8 -","4","1","","Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie","Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.","The Journal of organic chemistry","2016","81","19","9308","9314","10.1021/acs.joc.6b01891","","","0.71073","MoKα","","0.0478","0.0414","","","0.0864","0.0896","","","","","","1.004","","","","has coordinates","235885","2020-10-21","18:00:00",""
"4037273","20.849","0.002","6.117","0.0006","20.0741","0.0013","90","","90","","90","","2560.1","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie","Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.","The Journal of organic chemistry","2016","81","19","9308","9314","10.1021/acs.joc.6b01891","","","0.71073","MoKα","","0.0754","0.0686","","","0.1211","0.1239","","","","","","1.004","","","","has coordinates","235886","2020-10-21","18:00:00",""
"4037274","10.5985","0.0005","8.0053","0.0004","31.2829","0.0014","90","","93.6548","0.0006","90","","2648.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N8 -","- C28 H22 N8 -","- C112 H88 N32 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0606","0.0505","","","0.1296","0.1361","","","","","","1.063","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037275","9.077","0.004","10.503","0.004","11.236","0.004","71.951","0.005","88.879","0.004","67.801","0.004","937.2","0.6","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 N6 -","- C22 H22 N6 -","- C44 H44 N12 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0442","0.0368","","","0.0864","0.0914","","","","","","0.997","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037276","9.999","0.003","11.95","0.004","12.963","0.004","77.768","0.004","71.783","0.003","66.201","0.003","1339.6","0.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O2 -","- C32 H28 N6 O2 -","- C64 H56 N12 O4 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0608","0.0449","","","0.1124","0.122","","","","","","0.998","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037277","22.087","0.013","10.022","0.006","8.828","0.005","90","","90","","90","","1954","2","103","2","103","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H22 N6 -","- C22 H22 N6 -","- C88 H88 N24 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0395","0.0318","","","0.0676","0.071","","","","","","1.059","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037278","12.898","0.006","32.52","0.015","9.33","0.004","90","","101.68","0.02","90","","3832","3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N12 O0.24 -","- C44 H44 N12 O0.237 -","- C176 H176 N48 O0.948 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0915","0.0514","","","0.1146","0.143","","","","","","1.021","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037279","10.1162","0.0006","17.5805","0.0011","13.566","0.0008","90","","97.3442","0.0008","90","","2392.9","0.2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 -","- C30 H24 N6 -","- C120 H96 N24 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0473","0.0418","","","0.0924","0.0962","","","","","","0.962","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037280","10.074","0.004","12.014","0.004","13.149","0.005","63.293","0.004","83.12","0.004","76.074","0.004","1379.7","0.9","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 N7 O2 -","- C32 H27 N7 O2 -","- C64 H54 N14 O4 -","2","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0417","0.0386","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037281","11.575","0.004","14.13","0.005","19.212","0.007","90","","97.899","0.004","90","","3112.4","1.9","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N8 O2 -","- C34 H34 N8 O2 -","- C136 H136 N32 O8 -","4","1","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0551","0.0409","","","0.0891","0.0972","","","","","","0.964","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037282","9.0751","0.0002","9.0751","0.0002","34.9812","0.0006","90","","90","","90","","2880.96","0.1","203","2","203","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H32 N6 -","- C34 H32 N6 -","- C136 H128 N24 -","4","0.5","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0507","0.0398","","","0.1018","0.1096","","","","","","1.011","","","","has coordinates,has disorder","235888","2020-10-21","18:00:00",""
"4037283","14.415","0.004","16.688","0.005","12.739","0.004","90","","97.053","0.006","90","","3041.3","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 N6 -","- C34 H30 Cl2 N6 -","- C136 H120 Cl8 N24 -","4","0.5","","Brassard, Christopher J.; Zhang, Xiaoguang; Brewer, Christopher R.; Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Cu(II)-Catalyzed Oxidative Formation of 5,5'-Bistriazoles.","The Journal of organic chemistry","2016","81","24","12091","12105","10.1021/acs.joc.6b01907","","","0.71073","MoKα","","0.0631","0.0447","","","0.0792","0.0827","","","","","","1.769","","","","has coordinates","235888","2020-10-21","18:00:00",""
"4037284","19.2424","0.0006","19.606","0.0007","50.4378","0.0016","90","","90","","90","","19028.5","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H96 N8 O24.21 P2 -","- C86 H96 N8 O24.205 P2 -","- C688 H768 N64 O193.64 P16 -","8","2","","Jones, Bradley R.; Abrams, M. Leigh; Landis, Clark R.; May, Scott A.; Campbell, Alison N.; Martinelli, Joseph R.; Calvin, Joel R.","Scalable Synthesis of Enantiopure Bis-3,4-diazaphospholane Ligands for Asymmetric Catalysis.","The Journal of organic chemistry","2016","81","23","11965","11970","10.1021/acs.joc.6b01915","","x-ray","1.54178","CuKα","","0.1688","0.1501","","","0.4166","0.4728","","","","","","1.01","","","","has coordinates,has disorder","235891","2020-10-21","18:00:00",""
"4037285","28.653","0.006","9.7201","0.0019","18.842","0.004","90","","90","","90","","5247.7","1.9","300","2","300","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C70 H52 N4 O -","- C70 H52 N4 O -","- C280 H208 N16 O4 -","4","0.5","","Jana, Sourav; Dey, Amrita; Singsardar, Mukta; Bagdi, Avik K.; Hajra, Alakananda","Zn(OTf)<sub>2</sub>-Catalyzed Synthesis of Imidazole-Substituted Allenes.","The Journal of organic chemistry","2016","81","19","9489","9493","10.1021/acs.joc.6b01916","","","0.71073","MoKα","","0.095","0.0462","","","0.12","0.1522","","","","","","0.921","","","","has coordinates","235893","2020-10-21","18:00:00",""
"4037286","8.7733","0.0011","14.7716","0.0019","13.7797","0.0018","90","","106.983","0.002","90","","1707.9","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Trost, Barry M.; Masters, James T.; Le Vaillant, Franck; Lumb, Jean-Philip","Synthesis of a 1,3-Bridged Macrobicyclic Enyne via Chemoselective Cycloisomerization Using Palladium-Catalyzed Alkyne-Alkyne Coupling.","The Journal of organic chemistry","2016","81","20","10023","10028","10.1021/acs.joc.6b01920","","","0.71073","MoKα","","0.0513","0.0375","","","0.0829","0.0907","","","","","","1.015","","","","has coordinates","235895","2020-10-21","18:00:00",""
"4037287","7.331","0.002","10.1068","0.0015","14.572","0.002","84.948","0.015","83.2","0.03","79.942","0.014","1053.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 N O2 S -","- C13 H7 N O2 S -","- C52 H28 N4 O8 S4 -","4","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.053","0.0403","","","0.1018","0.1096","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037288","5.3775","0.0006","31.052","0.005","12.3237","0.0013","90","","90.673","0.011","90","","2057.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N O2 S -","- C13 H7 N O2 S -","- C104 H56 N8 O16 S8 -","8","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.1165","0.0545","","","0.1029","0.1243","","","","","","1.007","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037289","8.205","0.002","14.884","0.004","14.978","0.004","62.98","0.02","86.64","0.03","86.32","0.03","1625.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H14 Br6 Cl2 N2 O4 S2 -","- C27 H14 Br6 Cl2 N2 O4 S2 -","- C54 H28 Br12 Cl4 N4 O8 S4 -","2","1","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.0999","0.0761","","","0.1819","0.2077","","","","","","1.151","","","","has coordinates,has disorder","235897","2020-10-21","18:00:00",""
"4037290","23.534","0.004","8.2908","0.0012","16.25","0.006","90","","96.99","0.02","90","","3147.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br2 N2 O2 S -","- C15 H12 Br2 N2 O2 S -","- C120 H96 Br16 N16 O16 S8 -","8","2","","Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario","Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.","The Journal of organic chemistry","2016","81","22","11035","11042","10.1021/acs.joc.6b01922","","","0.71073","MoKα","","0.1693","0.1087","","","0.2012","0.2417","","","","","","1.192","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037291","7.3624","0.0008","7.3704","0.0007","14.0312","0.0015","83.266","0.003","74.936","0.004","80.647","0.004","723.2","0.13","0","2","0","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F3 N2 O4 -","- C14 H15 F3 N2 O4 -","- C28 H30 F6 N4 O8 -","2","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.1145","0.1046","","","0.2894","0.2935","","","","","","1.173","","","","has coordinates","235899","2020-10-21","18:00:00",""
"4037292","11.93","0.0005","9.6569","0.0005","22.248","0.0011","90","","90","","90","","2563.1","0.2","0","2","0","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F3 N2 O4 -","- C12 H11 F3 N2 O4 -","- C96 H88 F24 N16 O32 -","8","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0533","0.0389","","","0.1221","0.1325","","","","","","1.044","","","","has coordinates","235900","2020-10-21","18:00:00",""
"4037293","5.7857","0.0004","10.2761","0.0006","22.0932","0.0013","90","","90","","90","","1313.54","0.14","297.1","","297.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0475","0.0366","","","0.0825","0.0867","","","","","","1.075","","","","has coordinates","235902","2020-10-21","18:00:00",""
"4037294","19.289","0.004","11.081","0.002","23.943","0.005","90","","90","","90","","5117.6","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C232 H200 Br8 O24 Si8 -","8","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0749","0.0403","","","0.1003","0.135","","","","","","1.085","","","","has coordinates","235904","2020-10-21","18:00:00",""
"4037295","10.545","0.002","12.431","0.003","19.567","0.004","90","","90","","90","","2564.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C116 H100 Br4 O12 Si4 -","4","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0446","0.0311","","","0.0645","0.0695","","","","","","1.033","","","","has coordinates","235906","2020-10-21","18:00:00",""
"4037296","12.8743","0.0016","8.0021","0.0007","14.8751","0.0015","90","","100.11","0.004","90","","1508.7","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","1","","Naveen, ?; Rajkumar, Vadla; Babu, Srinivasarao Arulananda; Gopalakrishnan, Bojan","Pd(II)-Catalyzed Bidentate Directing Group-Aided Chemoselective Acetoxylation of Remote ε-C(sp<sup>2</sup>)-H Bonds in Heteroaryl-Aryl-Based Biaryl Systems.","The Journal of organic chemistry","2016","81","24","12197","12211","10.1021/acs.joc.6b01933","","","0.71073","MoKα","","0.0854","0.0568","","","0.1556","0.2331","","","","","","1.04","","","","has coordinates","235908","2020-10-21","18:00:00",""
"4037297","7.1877","0.0005","25.1688","0.0016","9.809","0.0006","90","","110.284","0.004","90","","1664.46","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0649","0.0481","","","0.1186","0.1299","","","","","","1.03","","","","has coordinates","235910","2020-10-21","18:00:00",""
"4037298","8.1616","0.0006","8.6757","0.0007","22.6247","0.0019","90","","90.485","0.003","90","","1601.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0418","0.0356","","","0.097","0.1152","","","","","","1.129","","","","has coordinates","235913","2020-10-21","18:00:00",""
"4037299","15.2093","0.0009","4.0297","0.0002","18.2902","0.0011","90","","90.067","0.003","90","","1120.99","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0662","0.0491","","","0.1559","0.1878","","","","","","1.098","","","","has coordinates","235914","2020-10-21","18:00:00",""
"4037300","8.4384","0.0006","11.0458","0.0008","12.1243","0.0008","70.841","0.002","77.317","0.002","86.918","0.002","1041.25","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.071","0.0473","","","0.1277","0.1461","","","","","","1.04","","","","has coordinates,has disorder","235916","2020-10-21","18:00:00",""
"4037301","11.5472","0.0005","9.5808","0.0003","17.8875","0.0007","90","","95.831","0.002","90","","1968.68","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chan, Yi-Ling; Chang, Meng-Yang","Synthesis of Substituted 2,3-Benzodiazepines.","The Journal of organic chemistry","2016","81","20","9836","9847","10.1021/acs.joc.6b01935","","","0.71073","MoKα","","0.0882","0.0547","","","0.1499","0.1806","","","","","","1.082","","","","has coordinates","235918","2020-10-21","18:00:00",""
"4037302","11.5911","0.0012","12.1293","0.0015","12.5797","0.0013","76.989","0.006","62.67","0.004","72.283","0.005","1489","0.3","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N5 O8 -","- C31 H37 N5 O8 -","- C62 H74 N10 O16 -","2","1","","Yamazaki, Shoko; Sugiura, Hirotaka; Ohashi, Shinnosuke; Ishizuka, Keisuke; Saimu, Rina; Mikata, Yuji; Ogawa, Akiya","Intramolecular [2 + 2] and [4 + 2] Cycloaddition Reactions of Cinnamylamides of Ethenetricarboxylate in Sequential Processes.","The Journal of organic chemistry","2016","81","22","10863","10886","10.1021/acs.joc.6b01947","","","0.71075","MoKα","","0.0466","0.0404","","","0.1038","0.1104","","","","","","1.067","","","","has coordinates","235919","2020-10-21","18:00:00",""
"4037303","15.502","0.004","17.641","0.004","14.182","0.003","90","","95.308","0.005","90","","3861.7","1.6","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Au Cl2 F6 N O2 P Sb -","- C32 H38 Au Cl2 F6 N O2 P Sb -","- C128 H152 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.062","0.0499","","","0.1298","0.1369","","","","","","0.979","","","","has coordinates","235922","2020-10-21","18:00:00",""
"4037304","12.544","0.003","14.099","0.003","13.291","0.003","90","","111.66","0.03","90","","2184.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C112 H84 N12 O8 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0498","0.0442","","","0.1156","0.1211","","","","","","1.026","","","","has coordinates","235924","2020-10-21","18:00:00",""
"4037305","14.901","0.003","10.12","0.002","23.618","0.005","90","","92.62","0.03","90","","3557.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N3 O2 -","- C22 H16 N3 O2 -","- C176 H128 N24 O16 -","8","2","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0582","0.0533","","","0.1562","0.1621","","","","","","1.099","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037306","9.6007","0.0019","18.225","0.004","19.435","0.004","105.32","0.03","91.26","0.03","96.56","0.03","3253.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 Au F6 N2 P Sb -","- C31 H35 Au F6 N2 P Sb -","- C124 H140 Au4 F24 N8 P4 Sb4 -","4","2","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0396","0.0337","","","0.0785","0.0805","","","","","","0.956","","","","has coordinates","235927","2020-10-21","18:00:00",""
"4037307","9.0639","0.0018","17.086","0.003","12.365","0.003","90","","109.34","0.03","90","","1806.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang","Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.","The Journal of organic chemistry","2016","81","18","8142","8154","10.1021/acs.joc.6b01948","","","0.71073","MoKα","","0.0657","0.0455","","","0.126","0.1374","","","","","","1.006","","","","has coordinates","235928","2020-10-21","18:00:00",""
"4037308","12.5614","0.0002","5.24978","0.0001","13.4122","0.0003","90","","91.3092","0.0016","90","","884.23","0.03","290.7","0.1","290.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 F3 O3 -","- C19 H17 F3 O3 -","- C38 H34 F6 O6 -","2","1","","Yang, Guang-Jun; Du, Wei; Chen, Ying-Chun","Construction of Furan Derivatives with a Trifluoromethyl Stereogenic Center: Enantioselective Friedel-Crafts Alkylations via Formal Trienamine Catalysis.","The Journal of organic chemistry","2016","81","20","10056","10061","10.1021/acs.joc.6b01950","","x-ray","1.54184","CuKα","","0.0481","0.0472","","","0.1321","0.1334","","","","","","1.047","","","","has coordinates","235930","2020-10-21","18:00:00",""
"4037309","12.089","0.0006","8.181","0.0003","21.9045","0.0011","90","","95.72","0.002","90","","2155.57","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Rig611","","","- C20 H22 Cl N5 O3 S -","- C20 H22 Cl N5 O3 S -","- C80 H88 Cl4 N20 O12 S4 -","4","1","","Rodrigo, Eduardo; Alonso, Inés; García Ruano, José Luis; Cid, M Belén","Expanding the Potential of Heteroaryl Vinyl Sulfones.","The Journal of organic chemistry","2016","81","22","10887","10899","10.1021/acs.joc.6b01956","","","0.71073","MoK\a","","0.0759","0.0408","","","0.1019","0.1332","","","","","","1.087","","","","has coordinates","235932","2020-10-21","18:00:00",""
"4037310","31.448","0.008","17.914","0.004","72.329","0.018","90","","93.536","0.004","90","","40670","17","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C176 H186 N12 O7 S -","- C176 H186 N12 O7 S -","- C1408 H1488 N96 O56 S8 -","8","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.1134","0.0847","","","0.2609","0.2837","","","","","","1.041","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037311","8.5439","0.0013","25.359","0.004","27.711","0.004","90","","103.197","0.005","90","","5845.4","1.5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Cl7 N5 O2 -","- C60 H66 Cl7 N5 O2 -","- C240 H264 Cl28 N20 O8 -","4","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.0968","0.0754","","","0.1758","0.1891","","","","","","1.115","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037312","34.448","0.0006","16.3547","0.0003","24.2238","0.0004","90","","95.6897","0.0007","90","","13580.1","0.4","203","","203","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H102 Cl N5 O2.5 S0.5 -","- C75 H96 Cl N5 O2.5 S0.5 -","- C600 H768 Cl8 N40 O20 S4 -","8","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","1.54187","CuKα","","0.1111","0.0714","","","0.183","0.2357","","","","","","1.006","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037313","17.154","0.002","19.517","0.003","26.195","0.003","90","","127.031","0.006","90","","7001.1","1.7","113","","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H63 Cl9 N4 O2 -","- C61 H63 Cl9 N4 O2 -","- C244 H252 Cl36 N16 O8 -","4","1","","Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi","Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.","The Journal of organic chemistry","2016","81","20","9848","9857","10.1021/acs.joc.6b01959","","","0.71075","MoKα","","0.0857","0.0767","","","0.2266","0.2368","","","","","","1.047","","","","has coordinates,has disorder","235934","2020-10-21","18:00:00",""
"4037314","8.6368","0.0002","12.3637","0.0003","27.5206","0.0007","90","","90","","90","","2938.73","0.12","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Liu, Jing; Wei, Wei; Zhao, Ting; Liu, Xuanyu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Iodine/Copper Iodide-Mediated C-H Functionalization: Synthesis of Imidazo[1,2-a]pyridines and Indoles from N-Aryl Enamines.","The Journal of organic chemistry","2016","81","19","9326","9336","10.1021/acs.joc.6b01960","","","0.71073","MoKα","","0.0523","0.0446","","","0.1187","0.1237","","","","","","1.06","","","","has coordinates","235936","2020-10-21","18:00:00",""
"4037315","8.5724","0.0016","9.5217","0.0011","10.0248","0.0018","64.703","0.014","65.55","0.017","85.194","0.012","669.1","0.2","180","","180","","","","","","","","","6","P -1","-P 1","2","","diethyl (4-chloro-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phosphonate","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C20 H26 Cl2 N6 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","1.54184","CuKα","","0.0998","0.0764","","0.0944","0.0647","0.0647","","","","","","1.3193","","","","has coordinates,has disorder","235938","2020-10-21","18:00:00",""
"4037316","7.8996","0.0004","8.2513","0.0004","10.2912","0.0004","93.736","0.003","97.778","0.004","91.382","0.004","662.85","0.05","180","","180","","","","","","","","","6","P -1","-P 1","2","","diethyl (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phosphonate","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C20 H26 Cl2 N6 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","1.54184","CuKα","","0.0513","0.0454","","0.0629","0.0548","0.0548","","","","","","1.0633","","","","has coordinates","235939","2020-10-21","18:00:00",""
"4037317","8.221","0.003","10.018","0.003","10.186","0.004","113.6","0.02","94.47","0.03","109.16","0.02","704.6","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","diethyl (2-amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phosphonate","","- C10 H14 Cl N4 O3 P -","- C10 H14 Cl N4 O3 P -","- C20 H28 Cl2 N8 O6 P2 -","2","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Phosphonation of Pyrrolopyrimidines: Synthesis of Substituted 7- and 9-Deazapurine-8-phosphonate Derivatives.","The Journal of organic chemistry","2016","81","19","9507","9514","10.1021/acs.joc.6b01970","","x-ray","0.71073","MoKα","","0.0999","0.0625","","0.1069","0.0553","0.0553","","","","","","1.1363","","","","has coordinates,has disorder","235941","2020-10-21","18:00:00",""
"4037318","7.0162","0.0004","9.8847","0.0006","20.6163","0.0013","90","","90","","90","","1429.8","0.15","108","","108","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Tao, Qiaoqiao; Ma, Ke; Yang, Yanlong; Wang, Kai; Chen, Baosong; Huang, Ying; Han, Junjie; Bao, Li; Liu, Xiao-Bin; Yang, Zhuliang; Yin, Wen-Bing; Liu, Hongwei","Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence.","The Journal of organic chemistry","2016","81","20","9867","9877","10.1021/acs.joc.6b01971","","","1.5418","CuKα","","0.0416","0.0405","","","0.1033","0.1045","","","","","","1.072","","","","has coordinates","235943","2020-10-21","18:00:00",""
"4037319","16.297","0.002","10.6491","0.0013","18.241","0.002","90","","98.884","0.003","90","","3127.7","0.6","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18.33 H29.33 F N O2.33 S -","- C18.3333 H29.3333 F N O2.33333 S -","- C110 H176 F6 N6 O14 S6 -","6","3","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0768","0.0537","","","0.1263","0.141","","","","","","1.024","","","","has coordinates","235945","2020-10-21","18:00:00",""
"4037320","7.926","0.008","10.565","0.01","11.841","0.012","90","","102.26","0.02","90","","968.9","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C42 H48 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.0618","0.0409","","","0.0808","0.0903","","","","","","1.003","","","","has coordinates","235947","2020-10-21","18:00:00",""
"4037321","6.0578","0.0013","8.7727","0.0018","19.173","0.004","90","","94.406","0.005","90","","1015.9","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl F N O2 S -","- C21 H23 Cl F N O2 S -","- C42 H46 Cl2 F2 N2 O4 S2 -","2","1","","Li, Ya; Li, Xiang; Shang, Huaqi; Chen, Xiangyu; Ren, Xinfeng","Diastereoselective Mannich Reactions Using Fluorinated Ketones: Synthesis of Stereogenic Carbon-Fluorine Units.","The Journal of organic chemistry","2016","81","20","9858","9866","10.1021/acs.joc.6b01979","","","0.71073","MoKα","","0.072","0.0509","","","0.1083","0.1191","","","","","","0.997","","","","has coordinates","235949","2020-10-21","18:00:00",""
"4037322","8.091","0.0008","12.068","0.0011","13.328","0.0012","75.317","0.001","73.664","0.001","80.916","0.002","1202.79","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H14 Cl3 N5 O3 -","- C22.5 H14 Cl3 N5 O3 -","- C45 H28 Cl6 N10 O6 -","2","1","","Zhang, Tian-Shu; Xiong, Yan-Jie; Hao, Wen-Juan; Zhu, Xiao-Tong; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","DDQ-Mediated Three-Component Dioxygenation of Alkenes.","The Journal of organic chemistry","2016","81","19","9350","9355","10.1021/acs.joc.6b01988","","","0.71073","MoKα","","0.2414","0.1095","","","0.24","0.2868","","","","","","1.078","","","","has coordinates,has disorder","235950","2020-10-21","18:00:00",""
"4037323","6.7727","0.0002","8.6658","0.0003","10.6659","0.0003","94.639","0.001","90.573","0.001","99.566","0.001","615.09","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","1.54178","CuKα","","0.0403","0.0401","","","0.1049","0.1052","","","","","","1.07","","","","has coordinates","235952","2020-10-21","18:00:00",""
"4037324","7.2978","0.0002","14.6967","0.0003","18.417","0.0004","90","","98.629","0.001","90","","1952.93","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C88 H92 Br4 O16 -","4","2","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","0.71073","MoKα","","0.0427","0.0313","","","0.0771","0.0819","","","","","","1.029","","","","has coordinates,has disorder","235953","2020-10-21","18:00:00",""
"4037325","11.9547","0.0016","9.8218","0.0014","11.9089","0.0015","90","","107.733","0.004","90","","1331.9","0.3","147","2","147","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas","Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach.","The Journal of organic chemistry","2016","81","22","10930","10941","10.1021/acs.joc.6b01990","","","0.71073","MoKα","","0.0593","0.0378","","","0.0829","0.0945","","","","","","1.03","","","","has coordinates","235955","2020-10-21","18:00:00",""
"4037326","13.5309","0.0019","12.5688","0.0019","10.2197","0.0015","90","","100.799","0.003","90","","1707.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao","The Cs<sub>2</sub>CO<sub>3</sub>-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.","The Journal of organic chemistry","2016","81","24","12443","12450","10.1021/acs.joc.6b01993","","","0.71073","MoKα","","0.0508","0.0413","","","0.1101","0.1176","","","","","","1.072","","","","has coordinates","235957","2020-10-21","18:00:00",""
"4037327","10.083","0.0012","13.0578","0.0016","15.4468","0.0019","90","","96.388","0.003","90","","2021.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl N O3 -","- C24 H20 Cl N O3 -","- C96 H80 Cl4 N4 O12 -","4","1","","Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao","The Cs<sub>2</sub>CO<sub>3</sub>-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.","The Journal of organic chemistry","2016","81","24","12443","12450","10.1021/acs.joc.6b01993","","","0.71073","MoKα","","0.0685","0.0562","","","0.1696","0.1899","","","","","","1.032","","","","has coordinates","235959","2020-10-21","18:00:00",""
"4037328","7.4434","0.0005","8.143","0.0005","10.3466","0.0006","73.153","0.001","83.813","0.001","82.018","0.001","592.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 B N O2 -","- C14 H14 B N O2 -","- C28 H28 B2 N2 O4 -","2","1","","Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T.","The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores.","The Journal of organic chemistry","2016","81","22","10955","10963","10.1021/acs.joc.6b01998","","","0.71073","MoKα","","0.0736","0.0579","","","0.1851","0.1953","","","","","","1.424","","","","has coordinates","235961","2020-10-21","18:00:00",""
"4037329","16.6112","0.0011","24.0764","0.0016","7.073","0.0005","90","","90","","90","","2828.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C136 H136 N8 O32 -","8","1","","Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T.","The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores.","The Journal of organic chemistry","2016","81","22","10955","10963","10.1021/acs.joc.6b01998","","","0.71073","MoKα","","0.0637","0.044","","","0.1034","0.1108","","","","","","1.017","","","","has coordinates","235963","2020-10-21","18:00:00",""
"4037330","8.87379","0.0001","4.83007","0.00005","16.6309","0.00014","90","","90.2687","0.0008","90","","712.81","0.012","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C26 H34 Br2 Cl2 N2 O4 -","2","1","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0238","0.0196","","","0.0425","0.0431","","","","","","0.952","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037331","9.9054","0.00009","16.3056","0.00013","17.66934","0.00016","90","","90","","90","","2853.84","0.04","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C104 H136 Br8 Cl8 N8 O16 -","8","2","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0363","0.031","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037332","10.8712","0.0002","12.2577","0.0003","15.5456","0.0003","90","","90.4588","0.0019","90","","2071.48","0.07","154.89","0.1","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 I2 N -","- C25 H19 I2 N -","- C100 H76 I8 N4 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Xia, Yu; Jin, Dong-Po; Qiu, Yi-Feng; Li, Ying-Xiu; Liang, Yong-Min","Electrophilic Cyclization of Aryl Propargylic Alcohols: Synthesis of Dihalogenated 6,9-Dihydropyrido[1,2-a]indoles via a Cascade Iodocyclization.","The Journal of organic chemistry","2016","81","22","10975","10986","10.1021/acs.joc.6b02013","","x-ray","0.71073","MoKα","","0.0498","0.0359","","","0.0665","0.076","","","","","","1.072","","","","has coordinates","235967","2020-10-21","18:00:00",""
"4037333","10.8314","0.0006","12.0828","0.0005","15.5269","0.0006","90","","90.132","0.005","90","","2032.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br I N -","- C25 H19 Br I N -","- C100 H76 Br4 I4 N4 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Xia, Yu; Jin, Dong-Po; Qiu, Yi-Feng; Li, Ying-Xiu; Liang, Yong-Min","Electrophilic Cyclization of Aryl Propargylic Alcohols: Synthesis of Dihalogenated 6,9-Dihydropyrido[1,2-a]indoles via a Cascade Iodocyclization.","The Journal of organic chemistry","2016","81","22","10975","10986","10.1021/acs.joc.6b02013","","x-ray","0.71073","MoKα","","0.0809","0.0454","","","0.0877","0.1054","","","","","","1.041","","","","has coordinates","235969","2020-10-21","18:00:00",""
"4037334","8.462","0.002","16.12","0.005","14.655","0.004","90","","90.551","0.015","90","","1999","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","x-ray","0.71073","MoKα","","0.078","0.0444","","","0.1161","0.1327","","","","","","1.047","","","","has coordinates","235971","2020-10-21","18:00:00",""
"4037335","8.2771","0.0005","15.4988","0.001","14.6841","0.0009","90","","97.587","0.003","90","","1867.3","0.2","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F N O2 S -","- C23 H16 F N O2 S -","- C92 H64 F4 N4 O8 S4 -","4","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","x-ray","0.71073","MoKα","","0.0561","0.041","","","0.1076","0.1211","","","","","","1.022","","","","has coordinates","235973","2020-10-21","18:00:00",""
"4037336","28.4537","0.0007","28.4537","0.0007","10.8501","0.0007","90","","90","","90","","8784.4","0.6","293","2","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H22 N2 O4 S -","- C25 H22 N2 O4 S -","- C400 H352 N32 O64 S16 -","16","1","","Jash, Moumita; Das, Bimolendu; Chowdhury, Chinmay","One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations.","The Journal of organic chemistry","2016","81","22","10987","10999","10.1021/acs.joc.6b02022","","","0.71073","MoKα","","0.1004","0.0459","","","0.119","0.1491","","","","","","0.991","","","","has coordinates","235975","2020-10-21","18:00:00",""
"4037337","12.1383","0.0002","18.1897","0.0004","7.0365","0.0002","90","","90","","90","","1553.6","0.06","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Ku, Angela F.; Cuny, Gregory D.","Access to 6a-Alkyl Aporphines: Synthesis of (±)-N-Methylguattescidine.","The Journal of organic chemistry","2016","81","20","10062","10070","10.1021/acs.joc.6b02024","","","1.54178","CuKα","","0.0205","0.0203","","","0.0537","0.0541","","","","","","1.061","","","","has coordinates","235977","2020-10-21","18:00:00",""
"4037338","8.9615","0.0006","16.4652","0.0013","19.3782","0.0012","90","","90","","90","","2859.3","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br N O3 -","- C36 H26 Br N O3 -","- C144 H104 Br4 N4 O12 -","4","1","","Xu, Jianfeng; Yuan, Shiru; Miao, Maozhong; Chen, Zhengkai","1-Hydroxybenzotriazole-Assisted, N-Heterocyclic Carbene Catalyzed β-Functionalization of Saturated Carboxylic Esters: Access to Spirooxindole Lactones.","The Journal of organic chemistry","2016","81","22","11454","11460","10.1021/acs.joc.6b02032","","","0.71073","MoKα","","0.0647","0.0393","","","0.0633","0.0717","","","","","","1.011","","","","has coordinates","235979","2020-10-21","18:00:00",""
"4037339","6.8459","0.0003","8.6718","0.0003","29.3079","0.0011","90","","90","","90","","1739.9","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O5 -","- C19 H19 N3 O5 -","- C76 H76 N12 O20 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0421","0.0339","","","0.0709","0.0751","","","","","","1.043","","","","has coordinates","235981","2020-10-21","18:00:00",""
"4037340","9.4564","0.0002","11.1358","0.0002","20.344","0.0005","90","","90","","90","","2142.32","0.08","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 Cl3 N O5 Si2 -","- C14 H26 Cl3 N O5 Si2 -","- C56 H104 Cl12 N4 O20 Si8 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0254","0.0231","","","0.0524","0.0535","","","","","","1.026","","","","has coordinates","235983","2020-10-21","18:00:00",""
"4037341","10.7676","0.0004","6.1959","0.0002","13.8977","0.0005","90","","91.255","0.001","90","","926.96","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl3 N O6 -","- C17 H18 Cl3 N O6 -","- C34 H36 Cl6 N2 O12 -","2","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0325","0.0288","","","0.0584","0.0603","","","","","","1.041","","","","has coordinates","235985","2020-10-21","18:00:00",""
"4037342","8.2257","0.0004","8.6177","0.0004","9.4412","0.0004","90","","105.591","0.003","90","","644.63","0.05","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0484","0.036","","0.0476","0.0374","0.0357","","","","","","1.1258","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037343","7.7488","0.0002","11.5545","0.0003","13.9686","0.0004","90","","90","","90","","1250.66","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0361","0.0308","","0.0469","0.035","0.0336","","","","","","1.0627","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037344","6.4095","0.0017","13.267","0.003","7.6203","0.0019","90","","110.13","0.012","90","","608.4","0.3","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0834","0.0537","","0.0751","0.0554","0.0587","","","","","","1.1043","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037345","8.7432","0.0005","12.2122","0.0007","12.7131","0.0008","90","","90","","90","","1357.42","0.14","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 -","- C14 H20 O6 -","- C56 H80 O24 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0399","0.0314","","0.0524","0.0339","0.0321","","","","","","1.0609","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037346","6.2741","0.0008","13.1986","0.0016","19.138","0.002","90","","90","","90","","1584.8","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I O5 -","- C15 H21 I O5 -","- C60 H84 I4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0942","0.0603","","0.0628","0.0546","0.0541","","","","","","1.0854","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037347","7.3214","0.0004","9.0142","0.0006","10.445","0.0006","90","","95.474","0.003","90","","686.19","0.07","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C30 H36 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0348","0.0341","","0.0375","0.0351","0.0348","","","","","","1.1221","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037348","7.6753","0.0006","9.7959","0.0007","23.2215","0.0017","90","","90","","90","","1745.9","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl O5 -","- C17 H25 Cl O5 -","- C68 H100 Cl4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0261","0.026","","0.0298","0.0298","0.0294","","","","","","1.0925","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037349","10.6723","0.0007","7.1954","0.0004","11.9267","0.0008","90","","110.456","0.004","90","","858.11","0.1","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 Cl O5 -","- C17 H23 Cl O5 -","- C34 H46 Cl2 O10 -","2","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0441","0.0413","","0.0487","0.0466","0.0461","","","","","","1.0949","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037350","7.162","0.0005","12.0359","0.0008","23.16","0.0014","90","","90","","90","","1996.4","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl O7 -","- C19 H25 Cl O7 -","- C76 H100 Cl4 O28 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0295","0.0277","","0.0333","0.0312","0.0305","","","","","","1.0976","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037351","9.561","0.007","11.973","0.008","14.769","0.009","94.018","0.014","106.912","0.014","109.068","0.014","1503.1","1.8","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Cl2 N O7 S -","- C29 H23 Br2 Cl2 N O7 S -","- C58 H46 Br4 Cl4 N2 O14 S2 -","2","1","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0686","0.04","","","0.0877","0.1063","","","","","","1.012","","","","has coordinates","235991","2020-10-21","18:00:00",""
"4037352","8.6468","0.0004","28.2242","0.0013","11.8307","0.0005","90","","91.701","0.003","90","","2886","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H23 Br2 N O9 -","- C29 H23 Br2 N O9 -","- C116 H92 Br8 N4 O36 -","4","2","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0911","0.043","","","0.0618","0.0726","","","","","","0.941","","","","has coordinates","235993","2020-10-21","18:00:00",""
"4037353","18.565","0.001","14.7048","0.0007","18.3354","0.0009","90","","97.703","0.002","90","","4960.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Br2 N O6 -","- C27 H21 Br2 N O6 -","- C216 H168 Br16 N8 O48 -","8","1","","Chang, Geng-Hua; Wang, Chein-Yi; Madhusudhan Reddy, G.; Tsai, Yi-Ling; Lin, Wenwei","Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-c]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives.","The Journal of organic chemistry","2016","81","20","10071","10080","10.1021/acs.joc.6b02041","","","0.71073","MoKα","","0.0792","0.0425","","","0.0841","0.0971","","","","","","1.005","","","","has coordinates","235995","2020-10-21","18:00:00",""
"4037354","8.4545","0.0009","11.2672","0.0012","14.7983","0.0015","90","","90","","90","","1409.7","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Weng, Chia-Hao; Hsu, Day-Shin; Liao, Chun-Chen","Application of Carbohydrate-Templated Asymmetric Diels-Alder Reaction to the Syntheses of ent-Penicillones A and B.","The Journal of organic chemistry","2016","81","22","11421","11426","10.1021/acs.joc.6b02055","","","0.71073","MoKα","","0.0671","0.0432","","","0.0947","0.1056","","","","","","1.029","","","","has coordinates","235997","2020-10-21","18:00:00",""
"4037355","9.469","0.002","9.7437","0.0017","24.586","0.004","90","","90","","90","","2268.4","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen-5-yl)chroman-2-one","","- C27 H26 O3 Si -","- C27 H26 O3 Si -","- C108 H104 O12 Si4 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0963","0.0447","","","0.0565","0.0622","","","","","","1.002","","","","has coordinates","235999","2020-10-21","18:00:00",""
"4037356","10.058","0.004","14.875","0.004","13.023","0.006","90","","105.939","0.012","90","","1873.5","1.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(2-Hydroxyphenyl)-4-methyl-5,5-diphenyldihydrofuran-2(3H)-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1439","0.0522","","","0.1019","0.1221","","","","","","0.914","","","","has coordinates","236001","2020-10-21","18:00:00",""
"4037357","18.812","0.002","6.8495","0.0007","18.3943","0.0017","90","","48.205","0.003","90","","1767","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Hydroxydiphenylmethyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1165","0.043","","","0.0663","0.0741","","","","","","1.002","","","","has coordinates","236003","2020-10-21","18:00:00",""
"4037358","9.538","0.005","9.716","0.003","11.544","0.004","110.185","0.017","91.33","0.03","114.823","0.016","893.4","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-(Bis(4-fluorophenyl)methylene)-3-methylchroman-2-one","","- C23 H16 F2 O2 -","- C23 H16 F2 O2 -","- C46 H32 F4 O4 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0932","0.0419","","","0.0695","0.0755","","","","","","1.008","","","","has coordinates","236005","2020-10-21","18:00:00",""
"4037359","8.838","0.003","9.919","0.005","9.942","0.005","96.391","0.015","105.394","0.018","98.99","0.014","819.2","0.7","298","2","298","2","","","","","","","","3","P 1","P 1","1","","4-benzhydryl-2H-chromen-2-one","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1098","0.0627","","","0.1427","0.1596","","","","","","0.971","","","","has coordinates","236007","2020-10-21","18:00:00",""
"4037360","8.708","0.004","9.023","0.004","10.758","0.005","79.51","0.04","74.7","0.04","89.79","0.03","800.8","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(9H-Xanthen-9-yl)-2H-chromen-2-one","","- C22 H14 O3 -","- C22 H14 O3 -","- C44 H28 O6 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1385","0.0725","","","0.1581","0.1817","","","","","","1.004","","","","has coordinates","236008","2020-10-21","18:00:00",""
"4037361","11.418","0.002","11.5134","0.0018","12.964","0.002","90","","90","","90","","1704.2","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-benzhydryl-3-methyl-2H-chromen-2-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C92 H72 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0805","0.0369","","","0.0453","0.0479","","","","","","1.001","","","","has coordinates","236010","2020-10-21","18:00:00",""
"4037362","19.188","0.006","9.967","0.005","22.065","0.008","90","","117.29","0.02","90","","3750","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2,2-Bis(4-fluorophenyl)-3-methyl-2,3-dihydrobenzofuran- 3-yl)acetic acid","","- C23 H18 F2 O3 -","- C23 H17 F2 O3 -","- C184 H136 F16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1225","0.0708","","","0.1726","0.1982","","","","","","1.029","","","","has coordinates","236012","2020-10-21","18:00:00",""
"4037363","9.196","0.002","12.205","0.003","17.211","0.003","109.982","0.01","94.427","0.009","99.724","0.01","1770.3","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(2-hydroxyphenyl)-5,5-diphenyldihydrofuran-2(3H)-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1387","0.0528","","","0.0841","0.0974","","","","","","1.008","","","","has coordinates","236014","2020-10-21","18:00:00",""
"4037364","6.933","0.002","8.677","0.003","16.275","0.005","93.46","0.03","91.74","0.02","109.99","0.03","917","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-(3H-spiro[benzofuran-2,5'-dibenzo[a,d][7]annulen]-3-yl)acetic acid","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.071","0.0455","","","0.1107","0.1188","","","","","","1.067","","","","has coordinates","236016","2020-10-21","18:00:00",""
"4037365","16.63","0.007","6.464","0.003","34.227","0.013","90","","94.57","0.04","90","","3668","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(10',11'-Dihydro-3H-spiro[benzofuran-2,5'-dibenzo[a,d][7]annulen]- 3-yl)acetic acid","","- C24 H20 O3 -","- C24 H20 O3 -","- C192 H160 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0722","0.0434","","","0.0971","0.1057","","","","","","1.023","","","","has coordinates","236018","2020-10-21","18:00:00",""
"4037366","9.5474","0.0008","13.3245","0.0012","15.2278","0.0017","90","","94.942","0.004","90","","1930","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(3'R*,4'S*)-3'-(2-hydroxyphenyl)-4'-methyl-3',4'-dihydro-5'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'-one","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0807","0.0368","","","0.0484","0.0519","","","","","","1","","","","has coordinates","236020","2020-10-21","18:00:00",""
"4037367","14.9752","0.0018","15.4208","0.0017","17.234","0.002","90","","90","","90","","3979.8","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R*,4S*)-5,5-bis(4-fluorophenyl)-4-(2-hydroxyphenyl)-3-methyldihydrofuran-2(3H)-one","","- C23 H18 F2 O3 -","- C23 H18 F2 O4 -","- C184 H144 F16 O32 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1699","0.0454","","","0.0556","0.063","","","","","","1.033","","","","has coordinates","236022","2020-10-21","18:00:00",""
"4037368","7.369","0.015","14","0.03","18.06","0.05","106.5","0.2","100.9","0.2","100.08","0.15","1702","8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-3-methyl-2H-chromen-2-one","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1886","0.0668","","","0.0743","0.0883","","","","","","1.041","","","","has coordinates","236024","2020-10-21","18:00:00",""
"4037369","11.924","0.0011","10.4468","0.0009","14.0038","0.0012","90","","94.79","0.003","90","","1738.3","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(5H-Dibenzo[a,d][7]annulen-5-yl)-2H-chromen-2-one","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1099","0.0522","","","0.0992","0.1137","","","","","","1.016","","","","has coordinates","236026","2020-10-21","18:00:00",""
"4037370","9.855","0.012","10.139","0.013","13.689","0.018","82.78","0.11","89.43","0.09","62.14","0.09","1198","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-(Bis(4-fluorophenyl)((trimethylsilyl)oxy)methyl)-4-methylchroman-2-one","","- C26 H26 F2 O3 Si -","- C26 H26 F2 O3 Si -","- C52 H52 F4 O6 Si2 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0872","0.0461","","","0.0897","0.0975","","","","","","1.005","","","","has coordinates","236028","2020-10-21","18:00:00",""
"4037371","10.3861","0.001","10.3861","0.001","19.4684","0.0018","90","","90","","120","","1818.7","0.3","298","2","298","2","","","","","","","","4","P 31","P 31","144","","(3R*,4S*)-3-methyl-4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen- 5-yl)chroman-2-one","","- C28 H28 O3 Si -","- C28 H28 O3 Si -","- C84 H84 O9 Si3 -","3","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0892","0.0413","","","0.0536","0.0583","","","","","","1.004","","","","has coordinates","236030","2020-10-21","18:00:00",""
"4037372","14.206","0.004","17.517","0.005","15.368","0.003","90","","101.359","0.013","90","","3749.4","1.7","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-3-methylchroman-2-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C200 H160 O16 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2226","0.0502","","","0.0346","0.0422","","","","","","0.842","","","","has coordinates","236031","2020-10-21","18:00:00",""
"4037373","11.006","0.007","9.632","0.005","16.438","0.009","90","","101.05","0.02","90","","1710.3","1.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-2H-chromen-2-one","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1203","0.0534","","","0.0962","0.1122","","","","","","0.993","","","","has coordinates","236033","2020-10-21","18:00:00",""
"4037374","9.966","0.004","15.177","0.006","15.388","0.005","90","","100.62","0.016","90","","2287.6","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Diphenyl((trimethylsilyl)oxy)methyl)-4-methylchroman-2-one","","- C26 H28 O3 Si -","- C26 H28 O3 Si -","- C104 H112 O12 Si4 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2159","0.1134","","","0.3007","0.334","","","","","","1.022","","","","has coordinates","236034","2020-10-21","18:00:00",""
"4037375","13.968","0.005","15.996","0.004","13.8","0.004","90","","40.447","0.018","90","","2000.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (R*)-2-((S*)-2,2-bis(4-fluorophenyl)-2,3-dihydrobenzofuran-3-yl)propanoate","","- C24 H20 F2 O3 -","- C24 H20 F2 O3 -","- C96 H80 F8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1722","0.0454","","","0.0483","0.0561","","","","","","1.003","","","","has coordinates","236036","2020-10-21","18:00:00",""
"4037376","9.3736","0.0019","9.757","0.002","11.672","0.002","73.534","0.01","89.493","0.01","67.705","0.01","941.3","0.3","298","2","298","2","","","","","","","","3","P 1","P 1","1","","(3R*,4S*)-4-(2-hydroxyphenyl)-3-methyl-5,5-diphenyldihydrofuran-2(3H)-one","","- C23 H20 O3 -","- C23 H20 O3.5 -","- C46 H40 O7 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1235","0.0642","","","0.151","0.1655","","","","","","1.018","","","","has coordinates","236038","2020-10-21","18:00:00",""
"4037377","10.451","0.002","34.794","0.007","11.219","0.002","90","","104.42","0.03","90","","3951.1","1.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O5 -","- C22 H20 Cl N O5 -","- C176 H160 Cl8 N8 O40 -","8","4","","Chen, Shanren; Wang, Youming; Zhou, Zhenghong","Organocatalyzed Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β,γ-Unsaturated α-Ketoesters: An Access to Chiral Indolin-3-ones with Two Adjacent Tertiary Stereogenic Centers.","The Journal of organic chemistry","2016","81","22","11432","11438","10.1021/acs.joc.6b02070","","","0.71073","MoKα","","0.0718","0.0553","","","0.1259","0.1378","","","","","","1.027","","","","has coordinates,has disorder","236040","2020-10-21","18:00:00",""
"4037378","10.2007","0.0014","7.0368","0.001","17.31","0.002","90","","99.542","0.002","90","","1225.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","1","","Xu, Dongdong; Sun, Wen-Wu; Xie, Yanli; Liu, Ji-Kai; Liu, Bin; Zhou, Yingbi; Wu, Bin","Metal-Free Regioselective Hypervalent Iodine-Mediated C-2 and C-3 Difunctionalization of N-Substituted Indoles.","The Journal of organic chemistry","2016","81","22","11081","11094","10.1021/acs.joc.6b02078","","","0.71073","MoKα","","0.0427","0.0382","","","0.1067","0.1112","","","","","","1.031","","","","has coordinates","236042","2020-10-21","18:00:00",""
"4037379","12.794","0.0011","8.4331","0.0007","12.0362","0.001","90","","100.374","0.001","90","","1277.39","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl3 N3 O -","- C12 H6 Cl3 N3 O -","- C48 H24 Cl12 N12 O4 -","4","1","","Xu, Dongdong; Sun, Wen-Wu; Xie, Yanli; Liu, Ji-Kai; Liu, Bin; Zhou, Yingbi; Wu, Bin","Metal-Free Regioselective Hypervalent Iodine-Mediated C-2 and C-3 Difunctionalization of N-Substituted Indoles.","The Journal of organic chemistry","2016","81","22","11081","11094","10.1021/acs.joc.6b02078","","","0.71073","MoKα","","0.0297","0.0275","","","0.0733","0.0746","","","","","","1.1","","","","has coordinates","236044","2020-10-21","18:00:00",""
"4037380","11.5675","0.0007","11.2489","0.0006","14.0766","0.0008","90","","110.77","0.003","90","","1712.63","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 O4 -","- C21 H13 N3 O4 -","- C84 H52 N12 O16 -","4","1","","Samanta, Sadhanendu; Mondal, Susmita; Santra, Sougata; Kibriya, Golam; Hajra, Alakananda","FeCl<sub>3</sub>-Catalyzed Cross-Dehydrogenative Coupling between Imidazoheterocycles and Oxoaldehydes.","The Journal of organic chemistry","2016","81","20","10088","10093","10.1021/acs.joc.6b02091","","","0.71073","MoKα","","0.0818","0.0601","","","0.1859","0.2163","","","","","","1.637","","","","has coordinates","236046","2020-10-21","18:00:00",""
"4037381","11.8416","0.0003","16.6527","0.0004","8.8363","0.0002","90","","107.638","0.002","90","","1660.56","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Nazir, Rashid; Stasyuk, Anton J.; Gryko, Daniel T.","Vertically π-Expanded Coumarins: The Synthesis and Optical Properties.","The Journal of organic chemistry","2016","81","22","11104","11114","10.1021/acs.joc.6b02094","","","1.54178","CuKα","","0.0805","0.0477","","","0.1232","0.1416","","","","","","0.994","","","","has coordinates","236049","2020-10-21","18:00:00",""
"4037382","9.8429","0.0004","15.4103","0.0007","15.007","0.0006","90","","101.052","0.004","90","","2234.08","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.0723","0.0585","","","0.1701","0.1799","","","","","","1.054","","","","has coordinates","236051","2020-10-21","18:00:00",""
"4037383","5.7605","0.0019","11.654","0.004","16.447","0.006","75.46","0.03","87.95","0.03","86.69","0.03","1066.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.1515","0.0615","","","0.1072","0.1456","","","","","","0.962","","","","has coordinates","236053","2020-10-21","18:00:00",""
"4037384","9.1891","0.0008","9.3749","0.0007","13.1478","0.0012","99.582","0.007","105.656","0.008","111.223","0.008","971.63","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Mujahid, Mohammad; Aggarwal, Trapti; Verma, Akhilesh K.","Palladium-Catalyzed Intramolecular Fujiwara-Hydroarylation: Synthesis of Benzo[a]phenazines Derivatives.","The Journal of organic chemistry","2016","81","20","9912","9923","10.1021/acs.joc.6b02096","","","0.71073","MoKα","","0.0596","0.0465","","","0.1207","0.13","","","","","","1.046","","","","has coordinates","236055","2020-10-21","18:00:00",""
"4037385","20.5051","0.0006","6.0462","0.0002","12.2496","0.0003","90","","96.572","0.002","90","","1508.7","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SMHIX-057-2C","sarpong117","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0671","0.0492","","","0.1143","0.1234","","","","","","1.017","","","","has coordinates","236057","2020-10-21","18:00:00",""
"4037386","16.6129","0.0009","21.6105","0.0011","9.1858","0.0004","90","","90","","90","","3297.8","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","SMHIX-077-1-Lrf","sarpong119","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C136 H128 N16 O32 -","8","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0571","0.0472","","","0.1271","0.1353","","","","","","1.033","","","","has coordinates","236059","2020-10-21","18:00:00",""
"4037387","13.8124","0.0006","12.0304","0.0004","24.903","0.0012","90","","105.872","0.003","90","","3980.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","SMHIX-118C","sarpong120","","- C43 H38 Cl2 N4 O7 S2 -","- C43 H38 Cl2 N4 O7 S2 -","- C172 H152 Cl8 N16 O28 S8 -","4","1","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.0974","0.0846","","","0.2324","0.2489","","","","","","1.045","","","","has coordinates","236061","2020-10-21","18:00:00",""
"4037388","14.4287","0.0004","20.8084","0.0006","20.8192","0.0006","90","","106.013","0.002","90","","6008.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SMHVII-020C","sarpong81","","- C34 H34 N2 O7 -","- C34 H34 N2 O7 -","- C272 H272 N16 O56 -","8","2","","Wilkerson-Hill, Sidney Malik; Sawano, Shota; Sarpong, Richmond","Bis(1-cyanovinyl acetate) Is a Linear Precursor to 3-Oxidopyrylium Ions.","The Journal of organic chemistry","2016","81","22","11132","11144","10.1021/acs.joc.6b02111","","","1.54178","CuKα","","0.099","0.0896","","","0.2587","0.2705","","","","","","1.052","","","","has coordinates","236063","2020-10-21","18:00:00",""
"4037389","18.523","0.005","14.642","0.004","5.1195","0.0015","90","","90","","90","","1388.5","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 Br N2 -","- C17 H11 Br N2 -","- C68 H44 Br4 N8 -","4","1","","Tan, Zhenda; Zhao, He; Zhou, Changjian; Jiang, Huanfeng; Zhang, Min","Aerobic Copper-Catalyzed Halocyclization of Methyl N-Heteroaromatics with Aliphatic Amines: Access to Functionalized Imidazo-Fused N-Heterocycles.","The Journal of organic chemistry","2016","81","20","9939","9946","10.1021/acs.joc.6b02117","","","0.71073","MoKα","","0.0927","0.053","","","0.1322","0.1622","","","","","","0.825","","","","has coordinates","236065","2020-10-21","18:00:00",""
"4037390","11.92","0.002","12.26","0.003","15.79","0.003","90","","90","","90","","2307.5","0.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 B2 Cl N O4 -","- C21 H34 B2 Cl N O4 -","- C84 H136 B8 Cl4 N4 O16 -","4","1","","Kaithal, Akash; Chatterjee, Basujit; Gunanathan, Chidambaram","Ruthenium-Catalyzed Selective Hydroboration of Nitriles and Imines.","The Journal of organic chemistry","2016","81","22","11153","11161","10.1021/acs.joc.6b02122","","x-ray","0.71073","MoKα","","0.0725","0.056","","","0.1383","0.1513","","","","","","1.029","","","","has coordinates","236067","2020-10-21","18:00:00",""
"4037391","6.206","0.005","10.587","0.005","22.58","0.005","90","","93.376","0.005","90","","1481","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl3 N2 O2 -","- C13 H13 Cl3 N2 O2 -","- C52 H52 Cl12 N8 O8 -","4","1","","Debbarma, Suvankar; Bera, Sourav Sekhar; Maji, Modhu Sudan","Cp*Rh(III)-Catalyzed Low Temperature C-H Allylation of N-Aryl-trichloro Acetimidamide.","The Journal of organic chemistry","2016","81","23","11716","11725","10.1021/acs.joc.6b02150","","","0.71069","MoKα","","0.0927","0.0583","","","0.1675","0.2051","","","","","","1.036","","","","has coordinates","236069","2020-10-21","18:00:00",""
"4037392","11.495","0.008","12.365","0.009","20.951","0.015","90","","90","","90","","2978","4","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O2 -","- C18 H11.5 Cl N O2 -","- C144 H92 Cl8 N8 O16 -","8","2","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.1843","0.1494","","","0.3343","0.3614","","","","","","1.317","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4037393","9.548","0.003","12.627","0.004","7.358","0.002","90","","109.129","0.003","90","","838.1","0.4","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 N O2 -","- C23 H15 N O2 -","- C46 H30 N2 O4 -","2","1","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.0264","0.0249","","","0.0647","0.0654","","","","","","1.04","","","","has coordinates","236072","2020-10-21","18:00:00",""
"4037394","6.3848","0.0016","20.457","0.005","16.933","0.004","90","","92.499","0.005","90","","2209.6","0.9","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 N5 O4 -","- C52 H63 N5 O4 -","- C104 H126 N10 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1633","0.0912","","","0.2728","0.3211","","","","","","1.02","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037395","6.3593","0.001","20.462","0.003","16.964","0.003","90","","92.531","0.003","90","","2205.3","0.6","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 N5 Ni O4 -","- C52 H61 N5 Ni O4 -","- C104 H122 N10 Ni2 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1248","0.0776","","","0.2029","0.2556","","","","","","0.853","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037396","6.3352","0.0004","20.2924","0.0012","17.032","0.001","90","","92.345","0.001","90","","2187.7","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Cu N5 O4 -","- C52 H61 Cu N5 O4 -","- C104 H122 Cu2 N10 O8 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.0643","0.0519","","","0.1258","0.132","","","","","","1.117","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037397","6.4215","0.0014","20.52","0.004","16.966","0.004","90","","92.56","0.004","90","","2233.4","0.8","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 N5 O4 Pd -","- C52 H61 N5 O4 Pd -","- C104 H122 N10 O8 Pd2 -","2","0.5","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.1271","0.0926","","","0.2567","0.2709","","","","","","1.108","","","","has coordinates,has disorder","236074","2020-10-21","18:00:00",""
"4037398","21.954","0.002","10.2145","0.0011","46.004","0.005","90","","101.588","0.002","90","","10106.1","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N6 O4 -","- C55 H68 N6 O4 -","- C440 H544 N48 O32 -","8","2","","Yamashita, Ken-Ichi; Kataoka, Kazuyuki; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Metal-Free Synthesis of meso-Aminoporphyrins through Reduction of meso-Azidoporphyrins Generated in Situ by Nucleophilic Substitution Reactions of meso-Bromoporphyrins.","The Journal of organic chemistry","2016","81","22","11176","11184","10.1021/acs.joc.6b02159","","","0.71073","MoKα","","0.2828","0.1173","","","0.2518","0.3371","","","","","","0.975","","","","has coordinates","236074","2020-10-21","18:00:00",""
"4037399","9.0184","0.0006","11.6977","0.0008","15.8224","0.001","90","","90","","90","","1669.18","0.19","296","2","296","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-N-(3-Isopropyl-5-phenylthiazolidin-2-ylidene)aniline","","- C18 H20 N2 S -","- C18 H20 N2 S -","- C72 H80 N8 S4 -","4","1","","Sengoden, Mani; Irie, Ryo; Punniyamurthy, Tharmalingam","Enantiospecific Aluminum-Catalyzed (3+2) Cycloaddition of Unactivated Aziridines with Isothiocyanates.","The Journal of organic chemistry","2016","81","22","11508","11513","10.1021/acs.joc.6b02190","","","0.71073","MoKα","","0.1435","0.0817","","","0.2266","0.2662","","","","","","1.057","","","","has coordinates","236077","2020-10-21","18:00:00",""
"4037400","9.0561","0.0002","13.374","0.0003","14.87","0.0003","90","","90","","90","","1801","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","De, Subhadip; Das, Mrinal Kanti; Roy, Avishek; Bisai, Alakesh","Synthesis of 2-Oxindoles Sharing Vicinal All-Carbon Quaternary Stereocenters via Organocatalytic Aldol Reaction.","The Journal of organic chemistry","2016","81","24","12258","12274","10.1021/acs.joc.6b02195","","","0.71073","MoKα","","0.0406","0.0359","","","0.0882","0.0914","","","","","","1.266","","","","has coordinates","236080","2020-10-21","18:00:00",""
"4037401","12.50566","0.00018","7.58889","0.00009","22.4088","0.0004","90","","104.634","0.0016","90","","2057.7","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N4 Se -","- C25 H20 N4 Se -","- C100 H80 N16 Se4 -","4","1","","Funt, Liya D.; Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Ivanov, Alexander Yu","Synthesis, Transformations of Pyrrole- and 1,2,4-Triazole-Containing Ensembles, and Generation of Pyrrole-Substituted Triazole NHC.","The Journal of organic chemistry","2016","81","22","11210","11221","10.1021/acs.joc.6b02200","","x-ray","1.54184","CuKα","","0.0272","0.0248","","","0.0646","0.0663","","","","","","1.036","","","","has coordinates","236082","2020-10-21","18:00:00",""
"4037402","9.1541","0.0003","10.3631","0.0003","11.9229","0.0004","84.026","0.003","76.615","0.003","78.823","0.003","1077.39","0.06","67","40","67","40","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 Br N4 -","- C25 H21 Br N4 -","- C50 H42 Br2 N8 -","2","1","","Funt, Liya D.; Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Ivanov, Alexander Yu","Synthesis, Transformations of Pyrrole- and 1,2,4-Triazole-Containing Ensembles, and Generation of Pyrrole-Substituted Triazole NHC.","The Journal of organic chemistry","2016","81","22","11210","11221","10.1021/acs.joc.6b02200","","","0.71073","MoKα","","0.0327","0.0282","","","0.065","0.067","","","","","","1.051","","","","has coordinates","236084","2020-10-21","18:00:00",""
"4037403","9.251","0.0011","11.3325","0.0013","20.531","0.002","90","","90","","90","","2152.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng","Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2016","81","23","11734","11742","10.1021/acs.joc.6b02201","","","0.71073","MoKα","","0.0596","0.0396","","","0.0979","0.1095","","","","","","1.057","","","","has coordinates","236086","2020-10-21","18:00:00",""
"4037404","10.0804","0.0004","13.1042","0.0006","15.9458","0.0007","90","","105.516","0.002","90","","2029.6","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng","Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2016","81","23","11734","11742","10.1021/acs.joc.6b02201","","","0.71073","MoKα","","0.0774","0.049","","","0.1306","0.1539","","","","","","1.061","","","","has coordinates","236087","2020-10-21","18:00:00",""
"4037405","6.9864","0.0006","30.542","0.002","11.0261","0.0008","90","","106.329","0.008","90","","2257.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H19 Cl N4 O2 Si -","- C23 H19 Cl N4 O2 Si -","- C92 H76 Cl4 N16 O8 Si4 -","4","1","","Golubev, Pavel; Karpova, Ekaterina A.; Pankova, Alena S.; Sorokina, Mariia; Kuznetsov, Mikhail A.","Regioselective Synthesis of 7-(Trimethylsilylethynyl)pyrazolo[1,5-a]pyrimidines via Reaction of Pyrazolamines with Enynones.","The Journal of organic chemistry","2016","81","22","11268","11275","10.1021/acs.joc.6b02217","","","0.71073","MoKα","","0.0362","0.0339","","","0.1052","0.1095","","","","","","0.884","","","","has coordinates","236089","2020-10-21","18:00:00",""
"4037406","17.068","0.003","11.049","0.002","16.748","0.003","90","","112.11","0.03","90","","2926.2","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","","Hu, Weigao; Zheng, Jia; Li, Jianxiao; Liu, Bifu; Wu, Wanqing; Liu, Haiyang; Jiang, Huanfeng","Assembly of Polysubstituted Maleimides via Palladium-Catalyzed Cyclization Reaction of Alkynes with Isocyanides.","The Journal of organic chemistry","2016","81","24","12451","12458","10.1021/acs.joc.6b02227","","","0.71073","MoKα","","0.0563","0.038","","","0.1238","0.148","","","","","","1.108","","","","has coordinates","236091","2020-10-21","18:00:00",""
"4037407","26.5471","0.0007","10.0841","0.0003","27.9848","0.0008","90","","119.013","0.002","90","","6551.5","0.3","123","","123","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 -","- C47 H36 -","- C376 H288 -","8","1","","Ravat, Prince; Ribar, Peter; Rickhaus, Michel; Häussinger, Daniel; Neuburger, Markus; Juríček, Michal","Spin-Delocalization in a Helical Open-Shell Hydrocarbon.","The Journal of organic chemistry","2016","81","24","12303","12317","10.1021/acs.joc.6b02246","","","1.34143","GaKα","","0.0418","0.035","","0.0477","0.0402","0.0397","","","","","","1.1027","","","","has coordinates","236097","2020-10-21","18:00:00",""
"4037408","6.3779","0.0003","19.36","0.0008","31.3111","0.0012","90","","90","","90","","3866.2","0.3","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 O -","- C29 H22 O -","- C232 H176 O8 -","8","2","","Ravat, Prince; Ribar, Peter; Rickhaus, Michel; Häussinger, Daniel; Neuburger, Markus; Juríček, Michal","Spin-Delocalization in a Helical Open-Shell Hydrocarbon.","The Journal of organic chemistry","2016","81","24","12303","12317","10.1021/acs.joc.6b02246","","","1.34143","GaKα","","0.0546","0.0311","","0.0353","0.0266","0.0309","","","","","","0.8938","","","","has coordinates,has disorder","236099","2020-10-21","18:00:00",""
"4037409","17.0118","0.0018","10.9267","0.0011","20.145","0.003","90","","90","","90","","3744.6","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","1","","Hao, Wen-Juan; Gao, Qian; Jiang, Bo; Liu, Feng; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Base-Promoted [4 + 1]/[3 + 1 + 1] Bicyclization for Accessing Functionalized Indeno[1,2-c]furans.","The Journal of organic chemistry","2016","81","22","11276","11281","10.1021/acs.joc.6b02249","","","0.71073","MoKα","","0.1398","0.0641","","","0.123","0.1463","","","","","","1.026","","","","has coordinates,has disorder","236100","2020-10-21","18:00:00",""
"4037410","13.9787","0.0005","8.8699","0.0003","17.877","0.0006","90","","93.978","0.001","90","","2211.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 N O3 S2 -","- C26 H19 N O3 S2 -","- C104 H76 N4 O12 S8 -","4","1","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0678","0.0528","","","","0.1486","","","","","","1.012","","","","has coordinates","236102","2020-10-21","18:00:00",""
"4037411","10.7644","0.0005","16.2126","0.0007","24.4126","0.0013","90","","90","","90","","4260.5","0.4","180","2","180","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C25 H19 N O2 S2 -","- C25 H19 N O2 S2 -","- C200 H152 N8 O16 S16 -","8","2","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0501","0.0384","","","","0.1126","","","","","","1.061","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037412","8.977","0.0003","10.9223","0.0004","11.4891","0.0004","90","","90.838","0.003","90","","1126.38","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C50 H72 O10 -","2","1","","Letort, Aurélien; Long, De-Liang; Prunet, Joëlle","Study of Cascade Ring-Closing Metathesis Reactions en Route to an Advanced Intermediate of Taxol.","The Journal of organic chemistry","2016","81","24","12318","12331","10.1021/acs.joc.6b02264","","","1.54178","CuKα","","0.0247","0.0246","","","0.0648","0.0649","","","","","","1.043","","","","has coordinates","236105","2020-10-21","18:00:00",""
"4037413","7.112","0.002","8.573","0.003","10.427","0.003","93.082","0.007","90.137","0.008","91.869","0.008","634.5","0.3","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H11 N2 O4 P -","- C12 H11 N2 O4 P -","- C24 H22 N4 O8 P2 -","2","1","","Chaturvedi, Atul Kumar; Kant, Ruchir; Rastogi, Namrata","Access to the Phosphorylindenopyrazole Scaffold via a Metal-Free Domino Reaction of Diazoalkylphosphonates with 3-Bromophthalides.","The Journal of organic chemistry","2016","81","22","11291","11296","10.1021/acs.joc.6b02267","","","0.71075","MoKα","","0.0559","0.0509","","","0.1381","0.1428","","","","","","1.065","","","","has coordinates","236107","2020-10-21","18:00:00",""
"4037414","28.3091","0.001","23.6454","0.0008","5.2375","0.0001","90","","90","","90","","3505.88","0.18","293","1","293","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H37 N5 O8 -","- C31 H37 N5 O8 -","- C124 H148 N20 O32 -","4","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.1005","0.0767","","","0.208","0.2311","","","","","","1.081","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037415","27.8709","0.0006","27.8709","0.0006","5.9519","0.0002","90","","90","","120","","4003.95","0.18","293","2","293","1","","","","","","","","4","P 65","P 65","170","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","1.5418","CuKα","","0.0421","0.0374","","","0.1147","0.1192","","","","","","1.104","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037416","28.49","0.005","28.49","0.005","5.767","0.005","90","0.005","90","0.005","120","0.005","4054","4","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","0.71073","","","0.1622","0.1082","","","0.2051","0.2566","","","","","","1.256","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4037417","9.407","0.0008","13.2405","0.0011","15.2351","0.0014","90","","90","","90","","1897.6","0.3","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Zhang, Bing; Li, Xing; Wei, Wen-Long; Liu, Qiang; Tian, Jun; Chang, Hong-Hong","Synthesis of 3-Sulfenylated Coumarins: BF<sub>3</sub>·Et<sub>2</sub>O-Mediated Electrophilic Cyclization of Aryl Alkynoates Using N-Sulfanylsuccinimides.","The Journal of organic chemistry","2016","81","22","11297","11304","10.1021/acs.joc.6b02271","","","0.71073","MoKα","","0.0448","0.0356","","","0.0832","0.0889","","","","","","1.063","","","","has coordinates","236112","2020-10-21","18:00:00",""
"4037418","10.8372","0.0005","10.5719","0.0005","16.5469","0.0008","90","","90.413","0.001","90","","1895.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O -","- C22 H18 Cl N3 O -","- C88 H72 Cl4 N12 O4 -","4","1","","Shakoor, S. M. Abdul; Kumari, Santosh; Khullar, Sadhika; Mandal, Sanjay K.; Kumar, Anil; Sakhuja, Rajeev","Ruthenium(II)-Catalyzed Regioselective Ortho Amidation of Imidazo Heterocycles with Isocyanates.","The Journal of organic chemistry","2016","81","24","12340","12349","10.1021/acs.joc.6b02282","","","0.71073","MoKα","","0.0637","0.046","","","0.1098","0.1202","","","","","","1.057","","","","has coordinates","236113","2020-10-21","18:00:00",""
"4037419","9.518","0.003","11.375","0.004","16.123","0.005","90","","91.368","0.005","90","","1745.1","1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 F N2 O -","- C18 H23 F N2 O -","- C72 H92 F4 N8 O4 -","4","1","","He, Yan; Wang, Ying-Chun; Hu, Kun; Xu, Xiao-Ling; Wang, Heng-Shan; Pan, Ying-Ming","Palladium-Catalyzed Synthesis of 5-Iminopyrrolones through Isocyanide Double Insertion Reaction with Terminal Alkynes and Water.","The Journal of organic chemistry","2016","81","23","11813","11818","10.1021/acs.joc.6b02288","","","0.71073","MoKα","","0.0844","0.0697","","","0.1695","0.1892","","","","","","1.085","","","","has coordinates","236115","2020-10-21","18:00:00",""
"4037420","8.457","0.004","9.132","0.004","14.715","0.007","75.15","0.005","76.225","0.006","79.774","0.006","1058.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","1","0.5","","Wang, Jun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan","Aromatic Ring Fused BOPHYs as Stable Red Fluorescent Dyes.","The Journal of organic chemistry","2016","81","22","11316","11323","10.1021/acs.joc.6b02291","","","0.71073","MoKα","","0.1448","0.0781","","","0.2015","0.2429","","","","","","1.01","","","","has coordinates,has disorder","236117","2020-10-21","18:00:00",""
"4037421","20.9818","0.0003","8.85852","0.0001","8.04013","0.0001","90","","90","","90","","1494.4","0.03","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0358","0.0328","","","0.0862","0.0896","","","","","","1.051","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037422","8.35321","0.00019","18.1932","0.0003","12.3367","0.0003","90","","109.572","0.0013","90","","1766.51","0.07","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N -","- C22 H20 I N -","- C88 H80 I4 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0456","0.0409","","","0.0977","0.1004","","","","","","1.06","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037423","11.207","","15.4001","","22.8622","","90","","104.655","","90","","3817.39","","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl I N O0.5 -","- C22 H19 Cl I N O0.5 -","- C176 H152 Cl8 I8 N8 O4 -","8","2","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.1144","0.0987","","","0.2494","0.2655","","","","","","1.045","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037424","13.9423","0.0004","12.4203","0.0004","10.2736","0.0003","90","","93.61","0.0015","90","","1775.52","0.09","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.1184","0.0786","","","0.2091","0.2908","","","","","","1.2","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037425","7.08828","0.00014","8.6929","0.0002","12.9545","0.0003","80.9586","0.0014","77.796","0.0015","69.4027","0.0013","727.32","0.03","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.082","0.0647","","","0.1952","0.2123","","","","","","1.129","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037426","8.4704","0.0003","12.2155","0.0004","16.9196","0.0005","90","","90","","90","","1750.67","0.1","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0408","0.0383","","","0.084","0.0853","","","","","","1.042","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037427","11.7023","0.0008","14.8726","0.0009","7.8369","0.0005","90","","104.147","0.002","90","","1322.6","0.15","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Mal, Dipakranjan; Jana, Supriti","Transpositive Tandem Annulation of Phthalides with Allene Carboxylates: Regioselective Synthesis of Arylnaphthalene Lignans.","The Journal of organic chemistry","2016","81","23","11857","11865","10.1021/acs.joc.6b02313","","","0.71073","MoKα","","0.1027","0.068","","","0.1622","0.1826","","","","","","1.027","","","","has coordinates","236122","2020-10-21","18:00:00",""
"4037428","8.283","0.013","9.617","0.015","15.51","0.02","96.05","0.03","101.76","0.03","107.07","0.03","1138","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 B F4 N2 O0 -","- C28 H21 B F4 N2 -","- C56 H42 B2 F8 N4 -","2","1","","Yang, Yuhan; Li, Bo; Liu, Wenmin; Zhang, Rumeng; Yu, Lintao; Ma, Qin-Ge; Lv, Rongrong; Du, Donghua; Li, Ting","Cp*Co<sup>III</sup>-Catalyzed Synthesis of Pyrido[2',1':2,3]pyrimido[1,6-a]indol-5-iums via Tandem C-H Activation and Subsequent Annulation from 1-(Pyridin-2-yl)-1H-indoles and Internal Alkynes.","The Journal of organic chemistry","2016","81","22","11335","11345","10.1021/acs.joc.6b02314","","","0.71073","MoKα","","0.1416","0.0774","","","0.2262","0.2757","","","","","","0.798","","","","has coordinates","236124","2020-10-21","18:00:00",""
"4037429","9.2233","0.0008","10.5382","0.0009","10.6723","0.0011","112.14","0.009","107.168","0.008","99.308","0.007","873.25","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C40 H32 Cl2 N6 O4 -","2","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0628","0.0538","","","0.1372","0.1463","","","","","","1.044","","","","has coordinates","236126","2020-10-21","18:00:00",""
"4037430","7.38358","0.0001","12.1552","0.0002","11.29082","0.00016","90","","97.5772","0.0013","90","","1004.49","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl3 N O2 -","- C8 H6 Cl3 N O2 -","- C32 H24 Cl12 N4 O8 -","4","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0251","0.0245","","","0.0654","0.0658","","","","","","1.098","","","","has coordinates","236128","2020-10-21","18:00:00",""
"4037431","8.979","0.0014","9.3904","0.0011","10.0838","0.0016","92.525","0.012","107.455","0.014","111.917","0.013","740.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl N3 O -","- C16 H20 Cl N3 O -","- C32 H40 Cl2 N6 O2 -","2","1","","Lester, Roy P.; Bham, Travis; Bousfield, Thomas W.; Lewis, William; Camp, Jason E.","Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.","The Journal of organic chemistry","2016","81","24","12472","12477","10.1021/acs.joc.6b02315","","x-ray","1.54184","CuKα","","0.0451","0.0421","","","0.113","0.1161","","","","","","1.054","","","","has coordinates,has disorder","236130","2020-10-21","18:00:00",""
"4037432","11.3522","0.0005","8.1594","0.0003","20.5295","0.0008","90","","96.923","0.004","90","","1887.72","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 S -","- C23 H17 N3 O2 S -","- C92 H68 N12 O8 S4 -","4","1","","Mannes, Philip Z.; Onyango, Evans O.; Gribble, Gordon W.","Synthesis of a Masked 2,3-Diaminoindole.","The Journal of organic chemistry","2016","81","24","12478","12481","10.1021/acs.joc.6b02318","","","1.54184","CuKα","","0.0503","0.0424","","","0.1064","0.113","","","","","","1.044","","","","has coordinates","236132","2020-10-21","18:00:00",""
"4037433","21.8061","0.0011","21.8061","0.0011","18.3306","0.0014","90","","90","","90","","8716.3","0.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C384 H336 N16 O48 S16 -","16","1","","Li, Tengfei; Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Ruthenium-Catalyzed [3 + 2] Cycloaddition of 2H-Azirines with Alkynes: Access to Polysubstituted Pyrroles.","The Journal of organic chemistry","2016","81","23","12031","12037","10.1021/acs.joc.6b02322","","","0.71073","MoKα","","0.1293","0.0814","","","0.2327","0.2829","","","","","","1.047","","","","has coordinates,has disorder","236134","2020-10-21","18:00:00",""
"4037434","11.6937","0.0018","17.642","0.003","10.9905","0.0016","90","","114.645","0.003","90","","2060.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Li, Tengfei; Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Ruthenium-Catalyzed [3 + 2] Cycloaddition of 2H-Azirines with Alkynes: Access to Polysubstituted Pyrroles.","The Journal of organic chemistry","2016","81","23","12031","12037","10.1021/acs.joc.6b02322","","","0.71073","MoKα","","0.0762","0.0468","","","0.1135","0.1278","","","","","","1.001","","","","has coordinates","236136","2020-10-21","18:00:00",""
"4037435","19.517","0.008","11.699","0.005","7.487","0.003","90","","93.387","0.007","90","","1706.5","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br -","- C24 H17 Br -","- C96 H68 Br4 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.","The Journal of organic chemistry","2016","81","23","11871","11881","10.1021/acs.joc.6b02329","","","0.71073","MoKα","","0.0751","0.0701","","","0.1788","0.1807","","","","","","1.3","","","","has coordinates,has disorder","236138","2020-10-21","18:00:00",""
"4037436","9.281","0.005","8.269","0.005","12.552","0.007","90","","98.586","0.009","90","","952.5","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 Br O3 -","- C25 H19 Br O3 -","- C50 H38 Br2 O6 -","2","1","","Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.","The Journal of organic chemistry","2016","81","23","11871","11881","10.1021/acs.joc.6b02329","","","0.71073","MoKα","","0.0445","0.0409","","","0.097","0.0985","","","","","","0.982","","","","has coordinates","236140","2020-10-21","18:00:00",""
"4037437","8.496","0.0002","8.7468","0.0002","10.9511","0.0002","89.127","0.001","74.606","0.001","71.042","0.001","739.8","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'2,12-Dicarboethoxy-5,15-diethyl-8,8,18,18-tetramethylbacteriochlorin'","","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","1","0.5","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.0535","0.0431","","","0.1116","0.1216","","","","","","1.043","","","","has coordinates","236143","2020-10-21","18:00:00",""
"4037438","6.061","0.0002","10.9177","0.0003","11.638","0.0003","81.422","0.002","86.977","0.002","81.179","0.001","752.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'5-(tert-Butoxycarbonyl)-(E)-2-[(4,4-dimethyl-5-oxodihydrofuran-2(3H)-ylidene)methyl]pyrrole'","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.052","0.041","","","0.1071","0.1146","","","","","","1.045","","","","has coordinates","236145","2020-10-21","18:00:00",""
"4037439","13.9987","0.0005","9.7515","0.0004","14.8006","0.0006","90","","99.383","0.001","90","","1993.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'4-Carboethoxy-3-ethyl-2-[(4,4-dimethyl-5-oxodihydrofuran-2(3H)-ylidene)(p-tolyl)methyl] pyrrole'","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.0522","0.0437","","","0.1141","0.1205","","","","","","1.044","","","","has coordinates","236147","2020-10-21","18:00:00",""
"4037440","7.934","0.01","8.377","0.01","14.692","0.017","77.68","0.03","83.36","0.05","75.72","0.03","922.5","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'2,12-Diethoxycarbonyl-8,8,18,18-tetramethyl-5,15-di-p-tolylbacteriochlorin'","","- C44 H46 N4 O4 -","- C44 H46 N4 O4 -","- C44 H46 N4 O4 -","1","0.5","","Liu, Yizhou; Lindsey, Jonathan S.","Northern-Southern Route to Synthetic Bacteriochlorins.","The Journal of organic chemistry","2016","81","23","11882","11897","10.1021/acs.joc.6b02334","","","0.71073","MoKα","","0.1013","0.0797","","","0.2129","0.232","","","","","","1.029","","","","has coordinates","236149","2020-10-21","18:00:00",""
"4037441","17.1594","0.0005","9.52","0.0003","13.9945","0.0004","90","","94.193","0.003","90","","2279.99","0.12","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O6 S2 -","- C24 H22 N2 O6 S2 -","- C96 H88 N8 O24 S8 -","4","1","","Xia, Xiao-Feng; Zhu, Su-Li; Liu, Jian-Biao; Wang, Dawei; Liang, Yong-Min","Copper-Catalyzed Radical-Promoted Aminocyclization of Acrylamides with N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2016","81","24","12482","12488","10.1021/acs.joc.6b02337","","x-ray","0.71073","MoKα","","0.0648","0.0458","","","0.1019","0.116","","","","","","1.051","","","","has coordinates","236151","2020-10-21","18:00:00",""
"4037442","9.7331","0.0007","10.0362","0.0007","10.1379","0.0007","84.043","0.003","81.838","0.003","75.748","0.003","947.65","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0726","0.048","","","0.1153","0.1289","","","","","","1.023","","","","has coordinates","236154","2020-10-21","18:00:00",""
"4037443","19.8948","0.0009","9.9946","0.0005","23.9226","0.0011","90","","90","","90","","4756.8","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 F3 N O6 -","- C24 H30 F3 N O6 -","- C192 H240 F24 N8 O48 -","8","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0645","0.0449","","","0.0998","0.1094","","","","","","1.033","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037444","9.3392","0.0006","12.0373","0.0008","25.2796","0.0017","101.028","0.003","92.592","0.003","111.947","0.003","2565.9","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 F7 N O5 -","- C25 H28 F7 N O5 -","- C100 H112 F28 N4 O20 -","4","2","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.1057","0.0855","","","0.2158","0.2254","","","","","","1.086","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037445","8.364","0.0004","11.4403","0.0008","21.0151","0.001","90","","90","","90","","2010.9","0.2","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N2 O -","- C22 H29 Cl N2 O -","- C88 H116 Cl4 N8 O4 -","4","1","","Boratyński, Przemysław J; Kowalczyk, Rafał; Kobylańska, Anna; Bąkowicz, Julia","Tricyclic Quaternary Ammonium Salts Derived from Cinchona Alkaloids.","The Journal of organic chemistry","2016","81","24","12489","12493","10.1021/acs.joc.6b02348","","","0.71073","MoKα","","0.1059","0.062","","","0.1275","0.1497","","","","","","1.038","","","","has coordinates","236156","2020-10-21","18:00:00",""
"4037446","11.2233","0.001","8.5345","0.0008","18.1559","0.0017","90","","93.8485","0.0014","90","","1735.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 O -","- C19 H18 Br2 O -","- C76 H72 Br8 O4 -","4","1","","Schatz, Devon J.; Kwon, Yonghoon; Scully, Thomas W.; West, F. G.","Interrupting the Nazarov Cyclization with Bromine.","The Journal of organic chemistry","2016","81","24","12494","12498","10.1021/acs.joc.6b02350","","","0.71073","MoKα","","0.0448","0.0333","","","0.0761","0.0798","","","","","","1.023","","","","has coordinates","236158","2020-10-21","18:00:00",""
"4037447","7.0355","0.0018","7.546","0.003","22.72","0.011","90","","90","","90","","1206.2","0.8","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-(m-tolyl)pyrido[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Champiré, Anthony; Vala, Christine; Laabid, Achraf; Benharref, Ahmed; Marchivie, Mathieu; Plé, Karen; Routier, Sylvain","Controlled Dimroth Rearrangement in the Suzuki-Miyaura Cross Coupling of Triazolopyridopyrimidines.","The Journal of organic chemistry","2016","81","24","12506","12513","10.1021/acs.joc.6b02357","","","0.71073","MoKα","","0.049","0.038","","","0.0855","0.0899","","","","","","1.05","","","","has coordinates","236160","2020-10-21","18:00:00",""
"4037448","11.1186","0.0003","7.5404","0.0003","14.6472","0.0007","90","","96.123","0.003","90","","1221","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(m-tolyl)pyrido[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Champiré, Anthony; Vala, Christine; Laabid, Achraf; Benharref, Ahmed; Marchivie, Mathieu; Plé, Karen; Routier, Sylvain","Controlled Dimroth Rearrangement in the Suzuki-Miyaura Cross Coupling of Triazolopyridopyrimidines.","The Journal of organic chemistry","2016","81","24","12506","12513","10.1021/acs.joc.6b02357","","","0.71073","MoKα","","0.0454","0.0374","","","0.0932","0.0978","","","","","","1.048","","","","has coordinates","236160","2020-10-21","18:00:00",""
"4037449","9.279","0.0006","9.4625","0.0005","12.2999","0.0008","77.479","0.005","82.454","0.005","62.81","0.006","937.13","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","1","","Obydennov, Dmitrii L.; Pan'kina, Ekaterina O.; Sosnovskikh, Vyacheslav Y.","Synthesis of Diketohexenoic Acid Derivatives by Alkenylation of Indoles and Pyrroles with 4-Pyrones.","The Journal of organic chemistry","2016","81","24","12532","12539","10.1021/acs.joc.6b02364","","","0.7107","MoKα","","0.102444","0.06013","","","","0.189314","","","","","","1.00216","","","","has coordinates","236162","2020-10-21","18:00:00",""
"4037450","9.1149","0.0006","9.5692","0.0007","10.4084","0.0006","75.458","0.005","70.092","0.006","70.295","0.007","794.03","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C32 H38 N2 O12 -","2","1","","Obydennov, Dmitrii L.; Pan'kina, Ekaterina O.; Sosnovskikh, Vyacheslav Y.","Synthesis of Diketohexenoic Acid Derivatives by Alkenylation of Indoles and Pyrroles with 4-Pyrones.","The Journal of organic chemistry","2016","81","24","12532","12539","10.1021/acs.joc.6b02364","","","0.7107","MoKα","","0.059","0.0462","","","0.1324","0.1445","","","","","","1.017","","","","has coordinates","236164","2020-10-21","18:00:00",""
"4037451","11.6977","0.0005","14.2227","0.0006","39.3907","0.0013","90","","90","","90","","6553.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H30 N4 Ni -","- C46 H30 N4 Ni -","- C368 H240 N32 Ni8 -","8","2","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.1072","0.0925","","","0.2389","0.2592","","","","","","1.021","","","","has coordinates,has disorder","236166","2020-10-21","18:00:00",""
"4037452","41.282","0.0005","41.282","0.0005","14.1626","0.0002","90","","90","","120","","20902.3","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C53.794 H48.186 N4 Ni S -","- C53.794 H48.186 N4 Ni S -","- C968.292 H867.348 N72 Ni18 S18 -","18","1","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.0636","0.0622","","","0.1423","0.1432","","","","","","1.125","","","","has coordinates,has disorder","236168","2020-10-21","18:00:00",""
"4037453","13.8085","0.0004","19.1276","0.0003","14.6014","0.0004","90","","108.452","0.002","90","","3658.3","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 Cl2 N4 Ni S -","- C47 H32 Cl2 N4 Ni S -","- C188 H128 Cl8 N16 Ni4 S4 -","4","1","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.041","0.0394","","","0.0974","0.0986","","","","","","1.048","","","","has coordinates","236170","2020-10-21","18:00:00",""
"4037454","6.2873","0.0005","11.0497","0.0005","13.8394","0.0008","90","","93.003","0.006","90","","960.14","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br N2 O4 -","- C20 H15 Br N2 O4 -","- C40 H30 Br2 N4 O8 -","2","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","x-ray","0.71073","MoKα","","0.0899","0.054","","","0.1045","0.1213","","","","","","1.026","","","","has coordinates","236171","2020-10-21","18:00:00",""
"4037455","6.41183","0.00015","10.9322","0.0002","25.7034","0.0005","90","","90","","90","","1801.69","0.06","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C80 H64 N8 O12 S4 -","4","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","","1.54184","CuKα","","0.0472","0.041","","","0.0993","0.1046","","","","","","1.05","","","","has coordinates","236173","2020-10-21","18:00:00",""
"4037456","12.3982","0.0002","12.8328","0.0002","20.8001","0.0004","90","","90","","90","","3309.37","0.1","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0825","0.047","","","0.107","0.1202","","","","","","1.036","","","","has coordinates","236175","2020-10-21","18:00:00",""
"4037457","7.715","0.0018","10.5292","0.0018","13.99","0.004","110.621","0.009","90.22","0.016","98.167","0.012","1051.1","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 B2 F8 N2 O10 -","- C42 H46 B2 F8 N2 O10 -","- C42 H46 B2 F8 N2 O10 -","1","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.1191","0.0757","","","0.1997","0.2354","","","","","","1.035","","","","has coordinates,has disorder","236177","2020-10-21","18:00:00",""
"4037458","11.5905","0.0001","13.9651","0.0002","20.7905","0.0003","90","","90","","90","","3365.2","0.07","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0528","0.0394","","","0.091","0.0966","","","","","","1.043","","","","has coordinates","236179","2020-10-21","18:00:00",""
"4037459","24.1714","0.0006","15.5157","0.0004","12.1639","0.0003","90","","106.879","0.001","90","","4365.38","0.19","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 F3 N2 O2 -","- C26 H21 F3 N2 O2 -","- C208 H168 F24 N16 O16 -","8","1","","Torres, Gerardo M.; De La Higuera Macias, Maximiliano; Quesnel, Jeffrey S.; Williams, Oliver P.; Yempally, Veeranna; Bengali, Ashfaq A.; Arndtsen, Bruce A.","Palladium-Catalyzed, Multicomponent Approach to β-Lactams via Aryl Halide Carbonylation.","The Journal of organic chemistry","2016","81","24","12106","12115","10.1021/acs.joc.6b02405","","x-ray","1.34139","GaKα","","0.0536","0.0529","","","0.129","0.1298","","","","","","1.098","","","","has coordinates,has disorder","236181","2020-10-21","18:00:00",""
"4037460","19.1093","0.0013","5.5821","0.0002","11.6158","0.0004","90","","92.757","0.007","90","","1237.62","0.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Stempel, Zachary D.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5-Phenyl-1,3-dioxane.","The Journal of organic chemistry","2016","81","24","12116","12127","10.1021/acs.joc.6b02428","","","1.54178","CuKα","","0.035","0.0326","","","0.0879","0.0895","","","","","","1.094","","","","has coordinates","236183","2020-10-21","18:00:00",""
"4037461","11.2073","0.0008","11.4382","0.0008","20.9983","0.0015","90","","95.208","0.003","90","","2680.7","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Cl O2 -","- C14 H19 Cl O2 -","- C112 H152 Cl8 O16 -","8","2","","Bailey, William F.; Lambert, Kyle M.; Stempel, Zachary D.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Controlling the Conformational Energy of a Phenyl Group by Tuning the Strength of a Nonclassical CH···O Hydrogen Bond: The Case of 5-Phenyl-1,3-dioxane.","The Journal of organic chemistry","2016","81","24","12116","12127","10.1021/acs.joc.6b02428","","","0.71073","MoKα","","0.0523","0.0374","","","0.0925","0.1026","","","","","","1.056","","","","has coordinates","236185","2020-10-21","18:00:00",""
"4037462","6.8354","0.0005","11.3494","0.001","12.139","0.0009","90","","104.352","0.002","90","","912.33","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Castillo, Juan-Carlos; Estupiñan, Diego; Nogueras, Manuel; Cobo, Justo; Portilla, Jaime","6-(Aryldiazenyl)pyrazolo[1,5-a]pyrimidines as Strategic Intermediates for the Synthesis of Pyrazolo[5,1-b]purines.","The Journal of organic chemistry","2016","81","24","12364","12373","10.1021/acs.joc.6b02431","","","0.71073","MoKα","","0.0622","0.0548","","","0.1667","0.175","","","","","","1.048","","","","has coordinates","236187","2020-10-21","18:00:00",""
"4037463","12.8578","0.0005","13.6398","0.0006","9.0487","0.0004","90","","108.461","0.002","90","","1505.28","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F N2 O3 S -","- C16 H15 F N2 O3 S -","- C64 H60 F4 N8 O12 S4 -","4","1","","Maiden, Tracy M. M.; Swanson, Stephen; Procopiou, Panayiotis A.; Harrity, Joseph P. A.","Oxazoline-Promoted Rh-Catalyzed C-H Amidation of Benzene Derivatives with Sulfonamides and Trifluoroacetamide. A Comparative Study.","The Journal of organic chemistry","2016","81","22","10641","10650","10.1021/acs.joc.6b02481","","","0.71073","MoKα","","0.0439","0.0385","","","0.0975","0.1022","","","","","","1.027","","","","has coordinates","236190","2020-10-21","18:00:00",""
"4037464","8.3831","0.0008","8.4932","0.0009","11.0905","0.0011","72.025","0.002","81.176","0.002","67.159","0.002","691.69","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O2 -","- C17 H17 F O2 -","- C34 H34 F2 O4 -","2","1","","Cao, Ziping; Zhu, Hongbo; Meng, Xin; Tian, Laijin; Chen, Guang; Sun, Xuejun; You, Jinmao","Silver-Catalyzed Domino Reaction of ortho-Carbonylated Alkynyl-Substituted Arylaldehydes with Conjugated Dienes: Stereoselective Access to Indanone-Fused Cyclohexenes.","The Journal of organic chemistry","2016","81","24","12401","12407","10.1021/acs.joc.6b02529","","","0.71073","MoKα","","0.0525","0.0458","","","0.1223","0.1285","","","","","","1.045","","","","has coordinates","236192","2020-10-21","18:00:00",""
"4037465","10.1471","0.0004","10.2402","0.0004","18.237","0.0007","90","","90","","90","","1894.98","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PH-5-110+98-A","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Haghshenas, Pouyan; Quail, J. Wilson; Gravel, Michel","Substrate-Controlled Diastereoselectivity Reversal in NHC-Catalyzed Cross-Benzoin Reactions Using N-Boc-N-Bn-Protected α-Amino Aldehydes.","The Journal of organic chemistry","2016","81","24","12075","12083","10.1021/acs.joc.6b02568","","","0.71073","MoKα","","0.0308","0.0291","","","0.0753","0.0765","","","","","","1.028","","","","has coordinates","236194","2020-10-21","18:00:00",""
"4037466","8.4519","0.0004","6.8822","0.0003","10.8607","0.0005","90","","112.056","0.002","90","","585.51","0.05","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H6 N O4 -","- C14 H6 N O4 -","- C28 H12 N2 O8 -","2","0.5","","Han, Sang Hoon; Kim, Saegun; De, Umasankar; Mishra, Neeraj Kumar; Park, Jihye; Sharma, Satyasheel; Kwak, Jong Hwan; Han, Sangil; Kim, Hyung Sik; Kim, In Su","Synthesis of Succinimide-Containing Chromones, Naphthoquinones, and Xanthones under Rh(III) Catalysis: Evaluation of Anticancer Activity.","The Journal of organic chemistry","2016","81","24","12416","12425","10.1021/acs.joc.6b02577","","","0.71073","MoKα","","0.1512","0.1113","","","0.3163","0.3601","","","","","","1.252","","","","has coordinates,has disorder","236196","2020-10-21","18:00:00",""
"4037467","10.539","0.0012","19.502","0.002","14.1053","0.0017","90","","111.24","0.004","90","","2702.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl2 F3 N2 O4 -","- C27 H21 Cl2 F3 N2 O4 -","- C108 H84 Cl8 F12 N8 O16 -","4","1","","Lei, Ruirui; Wu, Yong; Dong, Suzhen; Jia, Kaili; Liu, Shunying; Hu, Wenhao","A Diastereoselective Multicomponent Reaction for Construction of Alkynylamide-Substituted α,β-Diamino Acid Derivatives To Hunt Hits.","The Journal of organic chemistry","2017","82","6","2862","2869","10.1021/acs.joc.6b02761","","","0.71073","MoKα","","0.1039","0.072","","","0.1991","0.23","","","","","","1.04","","","","has coordinates,has disorder","236198","2020-10-21","18:00:00",""
"4037468","23.6277","0.0009","24.7861","0.001","39.6556","0.0019","90","","90","","90","","23223.8","1.7","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C154 H170 I3 K2 N86 O67 -","- C154 H170 I3 K2 N86 O67 -","- C616 H680 I12 K8 N344 O268 -","4","1","","Gong, Wanjun; Ma, Jun; Zhao, Zhiyong; Gao, Fang; Liang, Feng; Zhang, Haijun; Liu, Simin","Inhibition and Stabilization: Cucurbituril Induced Distinct Effects on the Schiff Base Reaction.","The Journal of organic chemistry","2017","82","6","3298","3301","10.1021/acs.joc.6b02971","","","1.54178","CuKα","","0.1812","0.1375","","","0.3117","0.3548","","","","","","0.973","","","","has coordinates","236201","2020-10-21","18:00:00",""
"4037469","20.8688","0.0006","20.8688","0.0006","12.2249","0.0004","90","","90","","120","","4610.7","0.2","290","2","290","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C171 H135 Br9 N18 O27 -","9","1","","Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin","Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams.","The Journal of organic chemistry","2017","82","7","3908","3916","10.1021/acs.joc.6b03090","","","1.54184","CuKα","","0.0266","0.0264","","","0.071","0.0713","","","","","","1.048","","","","has coordinates","236203","2020-10-21","18:00:00",""
"4037470","12.177","0.003","8.5411","0.0014","14.152","0.004","90","","117.632","0.019","90","","1304","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Jiao, Yan-Xiao; Wu, Ling-Ling; Zhu, Hai-Miao; Qin, Jiang-Ke; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","Tandem C-N Bond Formation through Condensation and Metal-Free N-Arylation: Protocol for Synthesizing Diverse Functionalized Quinoxalines.","The Journal of organic chemistry","2017","82","8","4407","4414","10.1021/acs.joc.7b00011","","","0.7107","MoKα","","0.1195","0.0697","","","0.1171","0.1453","","","","","","1.775","","","","has coordinates","236205","2020-10-21","18:00:00",""
"4037471","10.1206","0.0002","10.1349","0.0002","21.0311","0.0005","90","","90","","90","","2157.19","0.08","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Manchala, Narasimhulu; Law, Hanson Y. L.; Kerr, Daniel J.; Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Multistereocenter-Containing Cyclopentanoids from Ynamides via Oxazolidinone-Controlled Nazarov Cyclization.","The Journal of organic chemistry","2017","82","13","6511","6527","10.1021/acs.joc.7b00082","","","1.5418","CuKα","","0.0438","0.0418","","","0.1044","0.1059","","","","","","0.989","","","","has coordinates","236207","2020-10-21","18:00:00",""
"4037472","11.6875","0.0017","12.1777","0.0018","12.2214","0.0017","94.92","0.003","111.382","0.002","116.846","0.002","1377.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.1587","0.0548","","","0.0573","0.0706","","","","","","1.164","","","","has coordinates","236209","2020-10-21","18:00:00",""
"4037473","14.837","0.002","10.7069","0.0016","16.375","0.003","90","","110.019","0.003","90","","2444.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C104 H140 N4 O16 -","4","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.0955","0.0465","","","0.1123","0.138","","","","","","1.023","","","","has coordinates","236211","2020-10-21","18:00:00",""
"4037474","11.6882","0.0001","7.9358","0.0001","20.2157","0.0002","90","","105.231","0.001","90","","1809.25","0.03","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sun, Jianan; Hu, Yanbin; Li, Yanan; Zhang, Sheng; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Chemoselective and Enantioselective Friedel-Crafts 1,2-Addition of Pyrrole with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2017","82","10","5102","5110","10.1021/acs.joc.7b00159","","","1.54184","CuKα","","0.0347","0.0326","","","0.0892","0.0918","","","","","","1.025","","","","has coordinates","236213","2020-10-21","18:00:00",""
"4037475","9.6731","0.0003","8.3989","0.0002","12.0183","0.0003","90","","92.185","0.001","90","","975.7","0.05","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N O2 P -","- C19 H27 Cl N O2 P -","- C38 H54 Cl2 N2 O4 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0219","0.0217","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","236216","2020-10-21","18:00:00",""
"4037476","13.8893","0.0005","6.8939","0.0003","15.5331","0.0006","90","","108.119","0.002","90","","1413.56","0.1","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H37 B N3 O5 P -","- C27 H37 B N3 O5 P -","- C54 H74 B2 N6 O10 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0354","0.034","","","0.088","0.0888","","","","","","1.052","","","","has coordinates","236217","2020-10-21","18:00:00",""
"4037477","4.0508","0.0005","12.2873","0.0015","15.1864","0.0019","103.756","0.002","94.792","0.002","109.637","0.002","680.37","0.15","137","2","137","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","1","0.5","","Evoniuk, Christopher J.; Gomes, Gabriel Dos Passos; Ly, Michelle; White, Frankie D.; Alabugin, Igor V.","Coupling Radical Homoallylic Expansions with C-C Fragmentations for the Synthesis of Heteroaromatics: Quinolines from Reactions of o-Alkenylarylisonitriles with Aryl, Alkyl, and Perfluoroalkyl Radicals.","The Journal of organic chemistry","2017","82","8","4265","4278","10.1021/acs.joc.7b00262","","","0.71073","MoKα","","0.0301","0.0263","","","0.062","0.0631","","","","","","1.154","","","","has coordinates","236219","2020-10-21","18:00:00",""
"4037478","6.62124","0.00007","13.29651","0.00013","34.1798","0.0004","90","","90","","90","","3009.17","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Cl3 F O6 -","- C30 H42 Cl3 F O6 -","- C120 H168 Cl12 F4 O24 -","4","1","","Pitts, Cody Ross; Siegler, Maxime A.; Lectka, Thomas","Intermolecular Aliphatic C-F···H-C Interaction in the Presence of ""Stronger"" Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies.","The Journal of organic chemistry","2017","82","7","3996","4000","10.1021/acs.joc.7b00268","","","1.54178","CuKα","","0.0359","0.0353","","","0.1003","0.1009","","","","","","1.092","","","","has coordinates","236221","2020-10-21","18:00:00",""
"4037479","10.2837","0.0007","14.9709","0.0009","9.7616","0.0006","90","","112.694","0.002","90","","1386.51","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0446","0.0389","","","0.1027","0.1075","","","","","","1.085","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037480","5.71443","0.00018","28.523","0.0008","10.7016","0.0004","90","","90.151","0.003","90","","1744.28","0.1","173","0.1","173","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0701","0.051","","","0.106","0.1177","","","","","","1.078","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037481","24.5382","0.0013","5.9207","0.0003","25.8385","0.0013","90","","104.266","0.006","90","","3638.1","0.3","173","0.1","173","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0718","0.0508","","","0.1077","0.1234","","","","","","1.066","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037482","54.96","0.02","9.068","0.003","12.209","0.004","90","","101.194","0.009","90","","5969","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H52 Cl2 N2 O3 -","- C62 H46 Cl2 N2 O3 -","- C248 H184 Cl8 N8 O12 -","4","1","","Yu, Yang; Li, Yawen; Wang, Xiaoqing; Nian, Hao; Wang, Le; Li, Jie; Zhao, Yanxia; Yang, Xiran; Liu, Simin; Cao, Liping","Cucurbit[10]uril-Based [2]Rotaxane: Preparation and Supramolecular Assembly-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2017","82","11","5590","5596","10.1021/acs.joc.7b00400","","","0.71073","MoKα","","0.1345","0.1022","","","0.2185","0.2298","","","","","","1.117","","","","has coordinates","236226","2020-10-21","18:00:00",""
"4037483","8.55","0.003","10.09","0.003","21.776","0.007","90","","93.816","0.008","90","","1874.4","1.1","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl N2 O -","- C23 H17 Cl N2 O -","- C92 H68 Cl4 N8 O4 -","4","1","","Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi","Ag-Catalyzed Intramolecular Sequential Vicinal Diamination of Alkynes with Isocyanates: Synthesis of Fused Indole-Cyclic Urea Derivatives.","The Journal of organic chemistry","2017","82","10","5169","5177","10.1021/acs.joc.7b00417","","","0.71075","MoKα","","0.1004","0.0525","","","0.1341","0.1508","","","","","","1.011","","","","has coordinates","236228","2020-10-21","18:00:00",""
"4037484","6.017","0.002","9.564","0.003","30.731","0.011","90.012","0.011","90.214","0.011","90.193","0.012","1768.4","1","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H21 O -","- C24 H20 O -","- C96 H80 O4 -","4","4","","Dey, Amrita; Ali, Md Ashif; Jana, Sourav; Hajra, Alakananda","Copper-Catalyzed Regioselective Synthesis of Multisubstituted Furans by Coupling between Ketones and Aromatic Olefins.","The Journal of organic chemistry","2017","82","9","4812","4818","10.1021/acs.joc.7b00476","","","0.71073","MoKα","","0.1239","0.0758","","","0.1897","0.2324","","","","","","0.969","","","","has coordinates","236230","2020-10-21","18:00:00",""
"4037485","5.9655","0.0005","8.3443","0.0004","29.031","0.002","90","","93.06","0.008","90","","1443.04","0.17","298","10","298","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0902","0.0526","","","0.1102","0.1351","","","","","","1.062","","","","has coordinates","236232","2020-10-21","18:00:00",""
"4037486","7.7523","0.0006","9.9375","0.0008","10.9445","0.0008","83.039","0.007","79.544","0.006","72.21","0.007","787.55","0.11","298","10","298","10","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.1011","0.0533","","","0.1007","0.1307","","","","","","1.059","","","","has coordinates","236234","2020-10-21","18:00:00",""
"4037487","8.78","0.0009","8.8815","0.0007","11.5174","0.0008","77.869","0.006","87.177","0.007","64.169","0.009","789.42","0.13","297.4","0.3","297.4","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C32 H30 N2 O10 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0561","0.0432","","","0.1067","0.1169","","","","","","1.052","","","","has coordinates","236236","2020-10-21","18:00:00",""
"4037488","9.8868","0.0011","15.861","0.002","18.957","0.0019","90","","90","","90","","2972.7","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed, Picolinamide-Assisted, Z-Selective γ-Arylation of Allylamines To Construct Z-Cinnamylamines.","The Journal of organic chemistry","2017","82","13","6550","6567","10.1021/acs.joc.7b00535","","","0.71075","MoKα","","0.1122","0.0786","","","0.1664","0.1878","","","","","","1.174","","","","has coordinates,has disorder","236237","2020-10-21","18:00:00",""
"4037489","21.6776","0.001","25.114","0.011","9.141","0.004","90","","99.182","0.006","90","","4913","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 B3 F6 N7 -","- C52 H36 B3 F6 N7 -","- C208 H144 B12 F24 N28 -","4","0.5","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis and Properties of Covalently Linked AzaBODIPY-BODIPY Dyads and AzaBODIPY-(BODIPY)<sub>2</sub> Triads.","The Journal of organic chemistry","2017","82","13","6568","6577","10.1021/acs.joc.7b00542","","","0.71075","MoKα","","0.1067","0.0644","","","0.1258","0.1424","","","","","","0.878","","","","has coordinates","236239","2020-10-21","18:00:00",""
"4037490","13.456","0.004","7.52","0.002","15.678","0.004","90","","105.424","0.006","90","","1529.3","0.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","","Xie, Yanan; Wu, Xiaowei; Li, Chunpu; Wang, Jiang; Li, Jian; Liu, Hong","Ruthenium(II)-Catalyzed Redox-Neutral [3+2] Annulation of Indoles with Internal Alkynes via C-H Bond Activation: Accessing a Pyrroloindolone Scaffold.","The Journal of organic chemistry","2017","82","10","5263","5273","10.1021/acs.joc.7b00575","","","0.71073","MoKα","","0.0854","0.0482","","","0.1189","0.1377","","","","","","1.016","","","","has coordinates","236241","2020-10-21","18:00:00",""
"4037491","8.2464","0.0005","16.2806","0.001","21.1267","0.0011","90","","97.119","0.006","90","","2814.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Br N3 O5 S -","- C30 H22 Br N3 O5 S -","- C120 H88 Br4 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","1.54184","CuKα","","0.1222","0.0946","","","0.2594","0.2736","","","","","","1.178","","","","has coordinates","236243","2020-10-21","18:00:00",""
"4037492","12.5227","0.0005","13.8588","0.0004","15.9556","0.0006","90","","101.452","0.004","90","","2713.96","0.17","292.78","0.1","292.78","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O5 S -","- C30 H23 N3 O5 S -","- C120 H92 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","0.71073","MoKα","","0.117","0.0619","","","0.1289","0.1636","","","","","","1.037","","","","has coordinates","236245","2020-10-21","18:00:00",""
"4037493","7.461","0.006","9.376","0.008","23.221","0.018","90","","105.93","0.02","90","","1562","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F7 N O -","- C15 H14 F7 N O -","- C60 H56 F28 N4 O4 -","4","1","","Zheng, Jinhua; Chen, Pan; Yuan, Yaofeng; Cheng, Jiajia","Pd-Catalyzed Arylperfluoroalkylation of Unactivated Olefins for the Synthesis of Heterocycles.","The Journal of organic chemistry","2017","82","11","5790","5797","10.1021/acs.joc.7b00598","","","0.71073","MoKα","","0.0764","0.0609","","","0.1886","0.2051","","","","","","1.041","","","","has coordinates","236247","2020-10-21","18:00:00",""
"4037494","8.8838","0.0006","8.9296","0.0011","13.3506","0.0008","97.838","0.007","98.644","0.005","91.067","0.008","1036.45","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Pradhan, Sourav; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Copper(II)-Mediated Chelation-Assisted Regioselective N-Naphthylation of Indoles, Pyrazoles and Pyrrole through Dehydrogenative Cross-Coupling.","The Journal of organic chemistry","2017","82","9","4883","4890","10.1021/acs.joc.7b00615","","","0.71073","MoKα","","0.063","0.0491","","","0.1001","0.1076","","","","","","1.048","","","","has coordinates","236248","2020-10-21","18:00:00",""
"4037495","7.305","0.0009","16.254","0.003","16.7183","0.0019","90","","90","","90","","1985.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl2 O16 -","- C40 H37.8 Cl2 O15.9 -","- C80 H75.6 Cl4 O31.8 -","2","0.5","","Moro, Artur J.; Parola, A. Jorge; Pina, Fernando; Pana, Ana-Maria; Badea, Valentin; Pausescu, Iulia; Shova, Sergiu; Cseh, Liliana","2,2'-Spirobis[chromene] Derivatives Chemistry and Their Relation with the Multistate System of Anthocyanins.","The Journal of organic chemistry","2017","82","10","5301","5309","10.1021/acs.joc.7b00634","","x-ray","1.54184","CuKα","","0.172","0.096","","","0.2311","0.3041","","","","","","1.003","","","","has coordinates,has disorder","236250","2020-10-21","18:00:00",""
"4037496","10.2517","0.0003","14.6838","0.0004","17.6105","0.0005","90","","90","","90","","2650.98","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N4 O4 S -","- C26 H30 N4 O4 S -","- C104 H120 N16 O16 S4 -","4","1","","Lin, Huihua; Zhou, Zijun; Cai, Jun; Han, Bowen; Gong, Lei; Meggers, Eric","Asymmetric Construction of 3,3-Disubstituted Oxindoles Bearing Vicinal Quaternary-Tertiary Carbon Stereocenters Catalyzed by a Chiral-at-Rhodium Complex.","The Journal of organic chemistry","2017","82","12","6457","6467","10.1021/acs.joc.7b00793","","","1.54184","CuKα","","0.0331","0.032","","","0.0877","0.0889","","","","","","1","","","","has coordinates","236251","2020-10-21","18:00:00",""
"4037497","7.2152","0.0003","14.0726","0.0007","20.7911","0.001","90","","90","","90","","2111.06","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Br2 -","- C28 H20 Br2 -","- C112 H80 Br8 -","4","1","","van Leeuwen, Thomas; Danowski, Wojciech; Otten, Edwin; Wezenberg, Sander J.; Feringa, Ben L.","Asymmetric Synthesis of Second-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2017","82","10","5027","5033","10.1021/acs.joc.7b00852","","","0.71073","MoKα","","0.017","0.0157","","","0.0392","0.0395","","","","","","1.084","","","","has coordinates","236252","2020-10-21","18:00:00",""
"4037498","10.7705","0.0007","10.1713","0.0006","15.4078","0.0009","90","","97.569","0.006","90","","1673.22","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N3 O4 -","- C16 H18 Br N3 O4 -","- C64 H72 Br4 N12 O16 -","4","1","","Satham, Lakshminarayana; Namboothiri, Irishi N. N.","Regio- and Diastereoselective Synthesis of Dihydropyridopyrimidines via Cascade Reactions of 2-Aminopyridines with Morita-Baylis-Hillman Bromides of Nitroalkenes.","The Journal of organic chemistry","2017","82","12","6482","6488","10.1021/acs.joc.7b00947","","","0.71073","MoKα","","0.0606","0.0497","","","0.1412","0.1499","","","","","","1.075","","","","has coordinates","236253","2020-10-21","18:00:00",""
"4037499","11.031","0.002","7.7855","0.0015","29.329","0.006","90","","90","","90","","2518.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Zhang, Ning; Lu, Xiao-Bing","1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3H)-ones.","The Journal of organic chemistry","2017","82","14","7637","7642","10.1021/acs.joc.7b00963","","","0.71073","MoKα","","0.0576","0.0428","","","0.0992","0.108","","","","","","1.047","","","","has coordinates","236254","2020-10-21","18:00:00",""
"4037500","14.8183","0.0013","11.2475","0.0002","15.815","0.003","90","","105.57","0.02","90","","2539.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H18 B2 Cl6 F20 N2 O2 -","- C50 H18 B2 Cl6 F20 N2 O2 -","- C100 H36 B4 Cl12 F40 N4 O4 -","2","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","","1.5418","CuKα","","0.0454","0.0424","","","0.1099","0.113","","","","","","1.061","","","","has coordinates,has disorder","236256","2020-10-21","18:00:00",""
"4037501","10.8339","0.001","11.6677","0.001","12.8335","0.0007","68.481","0.007","87.828","0.006","76.034","0.008","1462.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","1","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","x-ray","1.54184","CuKα","","0.1076","0.0657","","","0.1761","0.2142","","","","","","1.023","","","","has coordinates","236256","2020-10-21","18:00:00",""
"4037502","12.846","0.0014","5.5579","0.0006","22.666","0.002","90","","99.6153","0.0017","90","","1595.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Diccianni, Justin B.; Heitmann, Tyler; Diao, Tianning","Nickel-Catalyzed Reductive Cycloisomerization of Enynes with CO<sub>2</sub>.","The Journal of organic chemistry","2017","82","13","6895","6903","10.1021/acs.joc.7b01034","","","0.71073","MoKα","","0.0575","0.0468","","","0.12","0.1273","","","","","","1.044","","","","has coordinates,has disorder","236257","2020-10-21","18:00:00",""
"4037503","11.711","0.003","9.334","0.002","25.458","0.006","90","","99.53","0.006","90","","2744.4","1.1","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,12S*)-2-Butyl-14,14-bis(methoxycarbonyl)-9,9-dimethyl-12- phenylsulfonyltricyclo[9.4.0.03,8]tetradeca-1(15),3,5,7,10-tetraene","","- C31 H36 O6 S -","- C31 H36 O6 S -","- C124 H144 O24 S4 -","4","1","","Kawaguchi, Yasuaki; Yasuda, Shigeo; Mukai, Chisato","Mechanistic Investigation of Rh<sup>I</sup>-Catalyzed Cycloisomerization of Benzylallene-Internal Alkynes via C-H Activation.","The Journal of organic chemistry","2017","82","14","7666","7674","10.1021/acs.joc.7b01048","","","0.71075","MoKα","","","0.0972","","","","0.3107","","","","","","1.079","","","","has coordinates","236258","2020-10-21","18:00:00",""
"4037504","8.0414","0.0005","10.3635","0.0008","15.97","0.0013","90","","100.769","0.003","90","","1307.45","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Badigenchala, Sindhura; Sekar, Govindasamy","NIS Mediated Cross-Coupling of C(sp<sup>2</sup>)-H and N-H Bonds: A Transition-Metal-Free Approach toward Indolo[1,2-a]quinazolinones.","The Journal of organic chemistry","2017","82","14","7657","7665","10.1021/acs.joc.7b01080","","","0.71073","MoKα","","0.0544","0.0335","","","0.0653","0.0717","","","","","","1.03","","","","has coordinates","236259","2020-10-21","18:00:00",""
"4037505","12.529","","7.898","","12.87","","90","","103.96","","90","","1235.92","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","1","0.25","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0651","0.0447","","","0.1372","0.1553","","","","","","1.023","","","","has coordinates","236260","2020-10-21","18:00:00",""
"4037506","8.765","","13.009","","13.962","","90","","103.9","","90","","1545.38","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F2 N3 S -","- C18 H13 F2 N3 S -","- C72 H52 F8 N12 S4 -","4","1","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0744","0.0635","","","0.214","0.222","","","","","","1.645","","","","has coordinates","236262","2020-10-21","18:00:00",""
"4037507","11.425","","14.928","","15.76","","107.82","","111.14","","90.04","","2367.99","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H16 F N3 -","- C20 H16 F N3 -","- C120 H96 F6 N18 -","6","6","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0801","0.0344","","","0.1062","0.1322","","","","","","0.634","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037508","8.0727","0.0003","8.1831","0.0003","11.4988","0.0004","76.276","0.002","76.546","0.002","63.917","0.001","655.56","0.04","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C30 H32 N8 O2 -","2","1","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","0.71073","MoKα","","0.0428","0.0367","","","0.0964","0.102","","","","","","1.038","","","","has coordinates","236265","2020-10-21","18:00:00",""
"4037509","10.3427","0.0006","11.3011","0.0008","13.1434","0.0011","111.232","0.007","92.812","0.006","101.965","0.006","1387.82","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C60 H64 N16 O4 -","4","2","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","1.54178","CuKα","","0.0766","0.0587","","","0.1586","0.1807","","","","","","1.034","","","","has coordinates","236266","2020-10-21","18:00:00",""
"4037510","6.0926","0.0007","12.1228","0.0014","15.3871","0.0016","73.037","0.002","86.996","0.003","81.089","0.002","1073.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C36 H30 F6 N4 O8 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0815","0.0597","","","0.1662","0.1791","","","","","","1.05","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037511","11.873","0.002","13.795","0.003","14.934","0.003","74.128","0.004","74.345","0.004","88.89","0.004","2261.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 F3 N2 O2 S -","- C24 H23 F3 N2 O2 S -","- C96 H92 F12 N8 O8 S4 -","4","2","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0973","0.0643","","","0.1538","0.1915","","","","","","1.065","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037512","8.9029","0.0013","10.2491","0.0015","10.8402","0.0016","97.645","0.003","97.068","0.003","96.897","0.003","963.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 F3 N O3 S -","- C19 H20 F3 N O3 S -","- C38 H40 F6 N2 O6 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.076","0.0654","","","0.179","0.1909","","","","","","1.051","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037513","10.1421","0.0006","8.1506","0.0004","12.8445","0.0008","90","","112.215","0.007","90","","982.97","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,5S,7S)-7-[(benzyloxy)methyl]-2-tosyl-6-oxa-2-azabicyclo[3.2.1]octane","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Mahía, Alejandro; Badorrey, Ramón; Gálvez, José A; Díaz-de-Villegas, María D","Diastereoselective Construction of the 6-Oxa-2-azabicyclo[3.2.1]octane Scaffold from Chiral α-Hydroxyaldehyde Derivatives by the Aza-Prins Reaction.","The Journal of organic chemistry","2017","82","15","8048","8057","10.1021/acs.joc.7b01291","","","0.71073","MoKα","","0.0585","0.0428","","","0.0858","0.0952","","","","","","1.053","","","","has coordinates","236269","2020-10-21","18:00:00",""
"4037514","17.6246","0.0004","7.4786","0.0002","38.5418","0.0008","90","","90","","90","","5080.1","0.2","100","0.1","100","0.1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H22 -","- C44 H22 -","- C352 H176 -","8","1","","Tao, Yu-Tai; Pola, Someshwar; Kumar, Sushil; Islam, M. Minarul","Synthesis and Characterization of Contorted Pentabenzo-Fused Coronenes as Semiconducting Materials.","The Journal of organic chemistry","2017","82","15","8067","8071","10.1021/acs.joc.7b01328","","","0.71073","MoKα","","0.0489","0.0377","","","0.0963","0.1042","","","","","","1.034","","","","has coordinates","236271","2020-10-21","18:00:00",""
"4037515","21.76262","0.00016","21.76262","0.00016","7.96088","0.00012","90","","90","","90","","3770.37","0.07","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","","Funt, Liya D.; Tomashenko, Olesya A.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Pyrrolotriazoloisoquinoline Frameworks by Intramolecular Cu-Mediated or Free Radical Arylation of Triazoles.","The Journal of organic chemistry","2017","82","14","7583","7594","10.1021/acs.joc.7b01341","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0725","0.0741","","","","","","1.055","","","","has coordinates","236273","2020-10-21","18:00:00",""
"4037516","14.6934","0.0009","12.412","0.0009","35.719","0.003","90","","90","","90","","6514.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 O2.5 -","- C19 H16 N3 O2.5 -","- C304 H256 N48 O40 -","16","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0708","0.0411","","","0.084","0.0975","","","","","","1.01","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037517","12.094","0.003","7.0075","0.0017","21.832","0.005","90","","94.77","0.03","90","","1843.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C76 H84 N12 O20 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.56087","AgKα","","0.1109","0.0496","","","0.1004","0.1202","","","","","","0.906","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037518","9.5731","0.0005","14.4963","0.0009","18.9287","0.0011","90","","90","","90","","2626.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0681","0.0467","","","0.1197","0.133","","","","","","1.05","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037519","8.3266","0.0002","20.7583","0.0005","7.9994","0.0002","90","","108.102","0.001","90","","1314.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0442","0.0364","","","0.0917","0.0962","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037520","9.0834","0.0002","9.2348","0.0002","14.267","0.0003","90","","100.316","0.001","90","","1177.42","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.05","0.039","","","0.0964","0.1038","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037521","18.0896","0.0009","6.6427","0.0004","15.8147","0.0008","90","","123.025","0.003","90","","1593.32","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.1058","0.0579","","","0.1402","0.1645","","","","","","0.992","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037522","11.7967","0.0003","15.6496","0.0004","17.021","0.0004","90","","98.243","0.001","90","","3109.85","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","871","","","- C33 H21 B F15 N S -","- C33 H21 B F15 N S -","- C132 H84 B4 F60 N4 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0505","0.0381","","","0.0848","0.0906","","","","","","1.051","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037523","9.8635","0.0002","18.7943","0.0005","14.1422","0.0003","90","","92.769","0.001","90","","2618.59","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","843","","","- C30 H12 B F15 S -","- C30 H12 B F15 S -","- C120 H48 B4 F60 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0424","0.0333","","","0.0838","0.0901","","","","","","1.061","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037524","10.053","0.007","17.077","0.014","18.207","0.014","113.715","0.013","98.367","0.003","99.656","0.013","2742","4","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H47 Cl7 S4 -","- C67 H47 Cl7 S4 -","- C134 H94 Cl14 S8 -","2","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0997","0.0635","","","0.1759","0.1922","","","","","","1.025","","","","has coordinates,has disorder","236280","2020-10-21","18:00:00",""
"4037525","20.5308","0.001","18.073","0.007","15.785","0.007","90","","127.463","0.008","90","","4649","3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 S4 -","- C66 H50 S4 -","- C264 H200 S16 -","4","0.5","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0613","0.0458","","","0.1191","0.1263","","","","","","0.954","","","","has coordinates","236280","2020-10-21","18:00:00",""
"4037526","10.1911","0.0007","10.8544","0.0009","16.4245","0.0013","78.465","0.007","87.134","0.006","75.928","0.006","1726.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C72 H60 F4 N8 O20 -","4","2","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0869","0.0501","","","0.1086","0.1324","","","","","","1.013","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037527","11.2067","0.001","9.8995","0.0007","12.7175","0.0008","90","","92.537","0.007","90","","1409.51","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0708","0.0456","","","0.0986","0.1162","","","","","","1.029","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037528","8.1086","0.0008","9.7037","0.001","11.3963","0.0012","108.463","0.01","90.621","0.008","108.39","0.009","800.98","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N O2 S -","- C18 H18 N O2 S -","- C36 H36 N2 O4 S2 -","2","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.113","0.0817","","","0.2263","0.2667","","","","","","1.036","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037529","13.5394","0.0007","5.6134","0.0002","19.1987","0.001","90","","107.79","0.006","90","","1389.37","0.12","293","2","","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","x-ray","1.54184","CuKα","","0.0392","0.0371","","","0.1011","0.104","","","","","","1.0305","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037530","10.262","0.004","11.055","0.004","14.296","0.005","77.026","0.012","86.941","0.015","88.442","0.017","1578","1","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C39 H35 N3 O -","- C39 H35 N3 O -","- C78 H70 N6 O2 -","2","1","","Mishra, Shachi; Awasthi, Pallavi; Singh, Jagriti; Gupta, Rahul Kumar; Singh, Vikram; Kant, Ruchir; Jeet, Ram; Goswami, Debabrata; Goel, Atul","White Light Induced E/Z-Photoisomerization of Diphenylamine-Tethered Fluorescent Stilbene Derivatives: Synthesis, Photophysical, and Electrochemical Investigation.","The Journal of organic chemistry","2018","83","7","3669","3678","10.1021/acs.joc.8b00033","","","0.71075","MoKα","","0.1621","0.0607","","","0.1393","0.175","","","","","","0.861","","","","has coordinates","236284","2020-10-21","18:00:00",""
"4037531","9.761","0.003","16.583","0.005","15.105","0.006","90","","90.036","0.008","90","","2445","1.4","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O4 -","- C28 H33 N O4 -","- C112 H132 N4 O16 -","4","1","","Vaishanv, Narendra Kumar; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Fluoride-Mediated α-Selective 1,6-Conjugate Addition of Allenic Esters to p-Quinone Methides.","The Journal of organic chemistry","2018","83","15","8759","8767","10.1021/acs.joc.8b01074","","","0.71075","MoKα","","0.0824","0.0497","","","0.1207","0.1321","","","","","","1.029","","","","has coordinates","236286","2020-10-21","18:00:00",""
"4037532","13.235","0.005","14.871","0.004","14.848","0.005","90","","108.269","0.006","90","","2775","1.6","293","2","293","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 O6 -","- C30 H40 O6 -","- C120 H160 O24 -","4","1","","Vaishanv, Narendra Kumar; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Fluoride-Mediated α-Selective 1,6-Conjugate Addition of Allenic Esters to p-Quinone Methides.","The Journal of organic chemistry","2018","83","15","8759","8767","10.1021/acs.joc.8b01074","","","0.71075","MoKα","","0.1409","0.0708","","","0.1837","0.2144","","","","","","0.99","","","","has coordinates","236287","2020-10-21","18:00:00",""
"4037533","9.037","0.006","27.363","0.016","10.344","0.006","90","","100.635","0.013","90","","2514","3","293","2","293","2","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C26 H30 N6 O -","- C26 H30 N6 O -","- C104 H120 N24 O4 -","4","1","","Singh, Kartikey; Sharma, Gaurav; Shukla, Manjulika; Kant, Ruchir; Chopra, Sidharth; Shukla, Sanjeev K.; Tripathi, Rama P.","Metal- and Phenol-Free Synthesis of Biaryl Ethers: Access to Dibenzobistriazolo-1,4,7-oxadiazonines and Vancomycin-Like Glyco-Macrocycles as Antibacterial Agents.","The Journal of organic chemistry","2018","83","24","14882","14893","10.1021/acs.joc.8b01631","","","0.71075","MoKα","","0.1053","0.055","","","0.1253","0.1415","","","","","","0.904","","","","has coordinates","236289","2020-10-21","18:00:00",""
"4037534","8.6886","0.0005","12.9245","0.0009","17.456","0.0012","90","","99.871","0.005","90","","1931.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","1","","Elagamy, Amr; Shaw, Ranjay; Panwar, Rahul; Shally, ?; Ram, Vishnu Ji; Pratap, Ramendra","Synthesis of Highly Functionalized Spirobutenolides via a Nitroalkane-Mediated Ring Contraction of 2-Oxobenzo[ h]chromenes through Denitration.","The Journal of organic chemistry","2019","84","3","1154","1161","10.1021/acs.joc.8b02257","","","0.71073","MoKα","","0.1047","0.0741","","","0.2005","0.2222","","","","","","0.977","","","","has coordinates","236291","2020-10-21","18:00:00",""
"4037535","14.4289","0.0012","9.7749","0.0009","35.171","0.003","90","","99.897","0.004","90","","4886.7","0.7","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C180 H324 N12 O36 -","12","6","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0416","0.0386","","","0.0942","0.0956","","","","","","1.052","","","","has coordinates","236293","2020-10-21","18:00:00",""
"4037536","8.262","0.0009","8.262","0.0009","27.103","0.003","90","","90","","90","","1850.1","0.4","100","","100","","","","","","","","see text","2","P 41 21 2","P 4abw 2nw","92","","","","- C20 H38 -","- C20 H38 -","- C80 H152 -","4","0.5","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0331","0.03","","","0.0804","0.082","","","","","","1.095","","","","has coordinates","236295","2020-10-21","18:00:00",""
"4037537","29.435","0.002","18.8296","0.0012","20.487","0.003","90","","132.126","0.001","90","","8421.6","1.5","100","","100","","","","","","","","see text","4","C 1 2 1","C 2y","5","","","","- C22 H29 O P -","- C22 H29 O P -","- C352 H464 O16 P16 -","16","4","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0412","0.036","","","0.08","0.0821","","","","","","1.066","","","","has coordinates","236297","2020-10-21","18:00:00",""
"4037538","12.625","0.003","18.139","0.003","27.006","0.005","90","","90","","90","","6185","2","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 O P -","- C20 H39 O P -","- C240 H468 O12 P12 -","12","3","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0483","0.0437","","","0.1085","0.1112","","","","","","1.043","","","","has coordinates,has disorder","236299","2020-10-21","18:00:00",""
"4037539","19.146","0.016","10.517","0.008","23.277","0.017","90","","90.669","0.015","90","","4687","6","293","2","293","2","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H22 F4 L N2 O -","- C25.5 H22 Cl F4 N2 O -","- C204 H176 Cl8 F32 N16 O8 -","8","1","","Gupta, Ekta; Nair, Sindoori R.; Kant, Ruchir; Mohanan, Kishor","Additive-Free Three-Component Synthesis of Spiro-isoxazolidine-oxindoles Employing Trifluorodiazoethane.","The Journal of organic chemistry","2018","83","23","14811","14819","10.1021/acs.joc.8b02504","","","0.71075","MoKα","","0.1644","0.0845","","","0.2074","0.2435","","","","","","0.919","","","","has coordinates","236301","2020-10-21","18:00:00",""
"4037540","9.3196","0.0014","25.211","0.003","10.6153","0.0013","90","","108.592","0.015","90","","2364","0.6","293","2","293","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 F3 N2 O3 -","- C27 H23 F3 N2 O3 -","- C108 H92 F12 N8 O12 -","4","1","","Gupta, Ekta; Nair, Sindoori R.; Kant, Ruchir; Mohanan, Kishor","Additive-Free Three-Component Synthesis of Spiro-isoxazolidine-oxindoles Employing Trifluorodiazoethane.","The Journal of organic chemistry","2018","83","23","14811","14819","10.1021/acs.joc.8b02504","","","0.71075","MoKα","","0.2677","0.1063","","","0.2524","0.3931","","","","","","0.929","","","","has coordinates","236302","2020-10-21","18:00:00",""
"4037541","26.18193","0.00018","9.22358","0.00007","16.79917","0.00011","90","","107.151","0.0007","90","","3876.44","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N5 O7 -","- C36 H57 N5 O7 -","- C144 H228 N20 O28 -","4","1","","Hou, Xue-Mei; Li, Yue-Ying; Shi, Yun-Wei; Fang, Yao-Wei; Chao, Rong; Gu, Yu-Cheng; Wang, Chang-Yun; Shao, Chang-Lun","Integrating Molecular Networking and <sup>1</sup>H NMR To Target the Isolation of Chrysogeamides from a Library of Marine-Derived Penicillium Fungi.","The Journal of organic chemistry","2019","84","3","1228","1237","10.1021/acs.joc.8b02614","","","1.54184","CuKα","","0.0432","0.0425","","","0.1483","0.1518","","","","","","0.748","","","","has coordinates","236304","2020-10-21","18:00:00",""
"4037542","4.84176","0.00019","18.7757","0.0005","21.9789","0.0009","90","","94.933","0.004","90","","1990.64","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br2 N O4 -","- C21 H23 Br2 N O4 -","- C84 H92 Br8 N4 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71075","MoKα","","0.0454","0.0331","","","0.0665","0.0708","","","","","","1.022","","","","has coordinates,has disorder","236306","2020-10-21","18:00:00",""
"4037543","13.6477","0.0009","5.6446","0.0003","7.713","0.0005","90","","91.024","0.006","90","","594.08","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","0.5","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0952","0.0614","","","0.1332","0.1515","","","","","","1.038","","","","has coordinates,has disorder","236308","2020-10-21","18:00:00",""
"4037544","12.7322","0.0005","7.4012","0.0003","21.0629","0.0008","90","","104.743","0.004","90","","1919.49","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0692","0.0492","","","0.108","0.1176","","","","","","1.041","","","","has coordinates","236310","2020-10-21","18:00:00",""
"4037545","7.5809","0.0002","9.1799","0.0003","16.1134","0.0004","104.725","0.003","97.399","0.002","97.091","0.002","1061.15","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C52 H54 N2 O8 -","2","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0548","0.0435","","","0.0987","0.1053","","","","","","1.025","","","","has coordinates","236311","2020-10-21","18:00:00",""
"4037546","8.2051","0.0002","14.4648","0.0004","17.5416","0.0005","70.834","0.003","81.487","0.002","82.58","0.002","1937.62","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","2","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0906","0.0564","","","0.1229","0.1393","","","","","","1.025","","","","has coordinates","236313","2020-10-21","18:00:00",""
"4037547","10.1855","0.0007","10.7629","0.0007","12.0612","0.0008","88.263","0.005","75.335","0.006","79.388","0.005","1257.08","0.15","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N O4 S -","- C27 H30 Br N O4 S -","- C54 H60 Br2 N2 O8 S2 -","2","1","","Li, Lu; Yang, Zhao; Yang, Jiao; Zhang, Quanzheng; Tan, Qiuyuan; Zhang, Changhui; Zhang, Min","Neighboring Hydroxyl Group-Assisted Allylboration and Lewis Acid-Mediated Carbonyl-Ene Reaction for Access to a Hapalindole Cyclohexane Core with Multiple Contiguous Stereogenic Centers.","The Journal of organic chemistry","2019","84","3","1605","1613","10.1021/acs.joc.8b02712","","x-ray","0.71073","MoKα","","0.1071","0.0592","","","0.1291","0.1518","","","","","","1.047","","","","has coordinates","236316","2020-10-21","18:00:00",""
"4037548","10.7773","0.0006","11.0593","0.0009","12.3513","0.0011","102.885","0.007","108.768","0.006","102.871","0.006","1287.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N O4 S -","- C27 H30 Br N O4 S -","- C54 H60 Br2 N2 O8 S2 -","2","1","","Li, Lu; Yang, Zhao; Yang, Jiao; Zhang, Quanzheng; Tan, Qiuyuan; Zhang, Changhui; Zhang, Min","Neighboring Hydroxyl Group-Assisted Allylboration and Lewis Acid-Mediated Carbonyl-Ene Reaction for Access to a Hapalindole Cyclohexane Core with Multiple Contiguous Stereogenic Centers.","The Journal of organic chemistry","2019","84","3","1605","1613","10.1021/acs.joc.8b02712","","","0.71073","MoKα","","0.0942","0.0573","","","0.1305","0.1466","","","","","","1.04","","","","has coordinates","236317","2020-10-21","18:00:00",""
"4037549","11.923","0.002","18.737","0.004","19.416","0.004","90","","90","","90","","4337.6","1.5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C192 H248 N8 O32 -","8","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.074","0.0621","","","0.1764","0.1876","","","","","","1.046","","","","has coordinates","236319","2020-10-21","18:00:00",""
"4037550","7.9305","0.0016","8.026","0.0016","10.9367","0.0014","73.997","0.014","75.084","0.014","62.95","0.02","588.8","0.2","120","0.1","120","0.1","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C28 H29 N O5 -","1","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.0639","0.0573","","","0.1398","0.1529","","","","","","0.9614","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037551","8.9323","0.0018","5.448","0.0011","38.734","0.008","90","","94.87","0.03","90","","1878.1","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.108","0.0854","","","0.2358","0.2588","","","","","","1.06","","","","has coordinates","236323","2020-10-21","18:00:00",""
"4037552","11.6427","0.0006","26.7219","0.0012","16.0346","0.0008","90","","100.857","0.002","90","","4899.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C232 H216 N8 O40 -","8","2","","Varshnaya, Rohit Kumar; Banerjee, Prabal","Lewis Acid-Catalyzed [3+3] Annulation of Donor-Acceptor Cyclopropanes and Indonyl Alcohols: One Step Synthesis of Substituted Carbazoles with Promising Photophysical Properties.","The Journal of organic chemistry","2019","84","3","1614","1623","10.1021/acs.joc.8b02733","","","0.71073","MoKα","","0.1553","0.0825","","","0.1491","0.1751","","","","","","1.095","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037553","19.56339","0.00013","7.68013","0.00007","16.52524","0.00011","90","","93.4366","0.0006","90","","2478.44","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0393","0.0379","","","0.1036","0.1042","","","","","","1.066","","","","has coordinates","236327","2020-10-21","18:00:00",""
"4037554","8.79462","0.00016","14.7893","0.0002","19.5287","0.0003","90","","90","","90","","2540.03","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0484","0.0456","","","0.1197","0.1217","","","","","","1.071","","","","has coordinates","236328","2020-10-21","18:00:00",""
"4037555","8.3634","0.001","9.4209","0.001","10.7953","0.0012","95.936","0.004","94.797","0.004","115.518","0.003","755.66","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C34 H44 N4 O4 -","2","1","","Chithanna, Sivanna; Yang, Ding-Yah","Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines.","The Journal of organic chemistry","2019","84","3","1339","1347","10.1021/acs.joc.8b02819","","x-ray","0.71073","MoKα","","0.054","0.044","","","0.1176","0.1259","","","","","","1.049","","","","has coordinates","236330","2020-10-21","18:00:00",""
"4037556","8.2655","0.0007","9.2448","0.0008","10.7843","0.0009","102.597","0.003","109.073","0.003","105.449","0.003","707.31","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Chithanna, Sivanna; Yang, Ding-Yah","Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines.","The Journal of organic chemistry","2019","84","3","1339","1347","10.1021/acs.joc.8b02819","","x-ray","0.71073","MoKα","","0.0407","0.0362","","","0.0976","0.1022","","","","","","0.968","","","","has coordinates","236333","2020-10-21","18:00:00",""
"4037557","12.8547","0.0016","16.926","0.002","7.0925","0.0009","90","","102.502","0.003","90","","1506.6","0.3","153","","153.08","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying","Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","3","1348","1362","10.1021/acs.joc.8b02820","","","1.54178","CuKα","","0.0998","0.0989","","","0.2813","0.2819","","","","","","1.087","","","","has coordinates","236335","2020-10-21","18:00:00",""
"4037558","12.6874","0.0003","7.3742","0.0002","27.9567","0.0007","90","","98.825","0.002","90","","2584.65","0.11","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying","Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","3","1348","1362","10.1021/acs.joc.8b02820","","x-ray","1.54184","CuKα","","0.0737","0.0625","","","0.1687","0.1789","","","","","","1.07","","","","has coordinates","236336","2020-10-21","18:00:00",""
"4037559","23.323","0.0002","25.0931","0.0002","7.6786","0.0001","90","","90","","90","","4493.87","0.08","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C100 H122 O25 -","- C100 H120 O25 -","- C200 H240 O50 -","2","0.5","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0562","0.0526","","","0.1599","0.1637","","","","","","1.056","","","","has coordinates,has disorder","236338","2020-10-21","18:00:00",""
"4037560","8.9473","0.0008","13.6391","0.0012","9.5262","0.0008","90","","105.518","0.005","90","","1120.13","0.17","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C52 H64 O12 -","2","1","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0332","0.0332","","","0.0876","0.0876","","","","","","1.057","","","","has coordinates","236340","2020-10-21","18:00:00",""
"4037561","7.9644","0.0001","10.5027","0.0001","12.5674","0.0002","91.463","0.001","90.407","0.001","100.694","0.001","1032.56","0.02","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H29 O6.5 -","- C25 H29 O6.5 -","- C50 H58 O13 -","2","2","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","x-ray","1.54184","CuKα","","0.0312","0.0311","","","0.082","0.082","","","","","","1.062","","","","has coordinates","236342","2020-10-21","18:00:00",""
"4037562","14.3428","0.0012","9.8491","0.0008","15.27","0.0013","90","","94.761","0.002","90","","2149.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Zhao, Yulei; Zhang, Zheng; Liu, Xu; Wang, Zongkang; Cao, Ziping; Tian, Laijin; Yue, Mingbo; You, Jinmao","TBAF-Catalyzed O-Nucleophilic Cyclization of Enaminones: A Process for the Synthesis of Dihydroisobenzofuran Derivatives.","The Journal of organic chemistry","2019","84","3","1379","1386","10.1021/acs.joc.8b02842","","","0.71073","MoKα","","0.1239","0.049","","","0.1364","0.1948","","","","","","0.911","","","","has coordinates","236344","2020-10-21","18:00:00",""
"4037563","11.5522","0.0007","13.2766","0.0006","11.993","0.0005","90","","100.086","0.005","90","","1810.99","0.16","203.01","0.1","203.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H30 F2 N8 O14 -","- C36 H30 F2 N8 O14 -","- C72 H60 F4 N16 O28 -","2","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.0599","0.0523","","","0.1356","0.143","","","","","","1.038","","","","has coordinates","236347","2020-10-21","18:00:00",""
"4037564","17.54012","0.00018","27.5274","0.0002","24.5429","0.0002","90","","102.616","0.0009","90","","11564","0.18","250","0.1","250","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N12 O8 -","- C56 H80 N12 O8 -","- C448 H640 N96 O64 -","8","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.0928","0.0845","","","0.2597","0.274","","","","","","1.04","","","","has coordinates,has disorder","236349","2020-10-21","18:00:00",""
"4037565","19.8342","0.0004","20.3805","0.0005","24.4985","0.0005","107.004","0.002","100.146","0.0018","107.036","0.002","8675.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C168 H240 N36 O24 -","- C168 H240 N36 O24 -","- C336 H480 N72 O48 -","2","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.1857","0.1508","","","0.362","0.3775","","","","","","2.462","","","","has coordinates,has disorder","236351","2020-10-21","18:00:00",""
"4037566","7.5751","0.0006","15.3923","0.0012","14.2928","0.0013","90","","90.148","0.008","90","","1666.5","0.2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Chen, Zhengwang; Liang, Pei; Ma, Xiaoyue; Luo, Haiqing; Xu, Guohai; Liu, Tanggao; Wen, Xiaowei; Zheng, Jing; Ye, Hui","Catalyst-Free Annulation of 2-Pyridylacetates and Ynals with Molecular Oxygen: An Access to 3-Acylated Indolizines.","The Journal of organic chemistry","2019","84","3","1630","1639","10.1021/acs.joc.8b02883","","","0.71073","MoKα","","0.0733","0.0549","","","0.1247","0.1368","","","","","","1.046","","","","has coordinates","236353","2020-10-21","18:00:00",""
"4037567","11.156","0.0006","13.669","0.0007","15.093","0.0008","106.191","0.002","100.862","0.002","108.089","0.002","2003.41","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H17.5 Cl1.5 N O5 -","- C20.5 H17.5 Cl1.5 N O5 -","- C82 H70 Cl6 N4 O20 -","4","2","","Hu, Zhongyan; Zhang, Lingjuan; Li, Juanjuan; Yang, Wenhui; Wei, Qianwen; Xu, Xianxiu","Silver-Catalyzed Nucleophilic Addition of β-Dicarbonyls to Isocyano Group: Facile Access to Indolin-3-ol Derivatives.","The Journal of organic chemistry","2019","84","3","1563","1569","10.1021/acs.joc.8b03058","","","0.71069","MoKα","","0.1142","0.0783","","","0.2048","0.2462","","","","","","1.051","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037568","7.3816","0.0002","18.2822","0.0005","25.5946","0.0008","90","","90","","90","","3454.04","0.17","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0672","0.0547","","","0.1246","0.1334","","","","","","1.091","","","","has coordinates,has disorder","236356","2020-10-21","18:00:00",""
"4037569","8.8482","0.0004","9.1945","0.0005","22.0415","0.0009","81.339","0.004","78.471","0.004","73.473","0.004","1676.01","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","2","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0736","0.0625","","","0.1436","0.1498","","","","","","1.137","","","","has coordinates,has disorder","236358","2020-10-21","18:00:00",""
"4037570","7.1881","0.0019","16.816","0.006","10.435","0.004","90","","99.549","0.012","90","","1243.9","0.7","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Modha, Sachin G.; Pöthig, Alexander; Dreuw, Andreas; Bach, Thorsten","[6π] Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope.","The Journal of organic chemistry","2019","84","3","1139","1153","10.1021/acs.joc.8b03144","","x-ray","1.54178","CuKα","","0.0356","0.0333","","","0.0815","0.0832","","","","","","1.06","","","","has coordinates","236360","2020-10-21","18:00:00",""
"4037571","9.338","0.0004","15.7753","0.0007","8.6495","0.0004","90","","112.182","0.002","90","","1179.85","0.09","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Modha, Sachin G.; Pöthig, Alexander; Dreuw, Andreas; Bach, Thorsten","[6π] Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope.","The Journal of organic chemistry","2019","84","3","1139","1153","10.1021/acs.joc.8b03144","","x-ray","0.71073","MoKα","","0.0365","0.0318","","","0.0751","0.0783","","","","","","1.074","","","","has coordinates","236361","2020-10-21","18:00:00",""
"4037572","20.541","0.0012","5.8794","0.0004","10.1091","0.0006","90","","99.746","0.003","90","","1203.24","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Muñoz-Molina, José María; Pérez, Pedro J","Ruthenium-Catalyzed Heck-Type Alkenylation of Alkyl Bromides.","The Journal of organic chemistry","2019","84","12","8289","8296","10.1021/acs.joc.9b00898","","x-ray","0.71073","MoKα","","0.0711","0.0507","","","0.1341","0.1464","","","","","","1.068","","","","has coordinates","236366","2020-10-21","18:00:00",""
"4037573","10.0433","0.0001","17.29","0.0001","20.8133","0.0001","109.894","0.001","97.03","0.001","101.883","0.001","3252.13","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br N2 O5.5 S -","- C38 H30 Br N2 O5.5 S -","- C152 H120 Br4 N8 O22 S4 -","4","2","","Li, Xiaoping; Yan, Juzhang; Qin, Jialiang; Lin, Shilin; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Enantioselective Synthesis of Benzofuran-Fused N-Heterocycles via Chiral Squaramide Catalyzed [4 + 2] Cyclization of Azadienes with Azlactones.","The Journal of organic chemistry","2019","84","12","8035","8045","10.1021/acs.joc.9b00911","","","1.54178","CuKα","","0.034","0.0271","","","0.0676","0.073","","","","","","1.024","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037574","9.6195","0.0003","10.6241","0.0004","12.2816","0.0005","79.29","0.001","84.563","0.001","71.676","0.001","1169.87","0.07","150","2","149.98","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H19 N -","- C31 H19 N -","- C62 H38 N2 -","2","1","","Chen, Lu-Lu; Zhang, Jing-Wen; Yang, Wan-Wan; Fu, Ji-Ya; Zhu, Jun-Yan; Wang, Yan-Bo","Synthesis of 1-Cyano-3-acylnaphthalenes via Formal [4+2] Benzannulation of 2-(2-Alkynylphenyl)acetonitriles and Alkynones.","The Journal of organic chemistry","2019","84","12","8090","8099","10.1021/acs.joc.9b00948","","","0.71073","MoKα","","0.0619","0.0453","","","0.1056","0.1153","","","","","","1.037","","","","has coordinates","236371","2020-10-21","18:00:00",""
"4037575","15.5288","0.0004","15.8554","0.0004","9.4331","0.0003","90","","101.848","0.003","90","","2273.09","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N O -","- C31 H21 N O -","- C124 H84 N4 O4 -","4","1","","Chen, Lu-Lu; Zhang, Jing-Wen; Yang, Wan-Wan; Fu, Ji-Ya; Zhu, Jun-Yan; Wang, Yan-Bo","Synthesis of 1-Cyano-3-acylnaphthalenes via Formal [4+2] Benzannulation of 2-(2-Alkynylphenyl)acetonitriles and Alkynones.","The Journal of organic chemistry","2019","84","12","8090","8099","10.1021/acs.joc.9b00948","","x-ray","1.54184","CuKα","","0.0656","0.0498","","","0.1284","0.144","","","","","","1.041","","","","has coordinates","236372","2020-10-21","18:00:00",""
"4037576","5.7414","0.0001","16.5338","0.0004","23.6498","0.0006","90","","90","","90","","2245.01","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br O3 S Se -","- C23 H23 Br O3 S Se -","- C92 H92 Br4 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0484","0.0351","","","0.0595","0.0636","","","","","","1.034","","","","has coordinates","236374","2020-10-21","18:00:00",""
"4037577","5.76106","0.00011","16.4713","0.0004","23.1761","0.0006","90","","90","","90","","2199.23","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O3 S Se -","- C24 H24 O3 S Se -","- C96 H96 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0566","0.0393","","","0.0775","0.0839","","","","","","1.064","","","","has coordinates","236375","2020-10-21","18:00:00",""
"4037578","9.9188","0.0002","9.9188","0.0002","74.552","0.002","90","","90","","120","","6352","0.2","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C25 H21 F3 N2 O -","- C25 H21 F3 N2 O -","- C300 H252 F36 N24 O12 -","12","2","","Wang, Xin-Wei; Chen, Mu-Wang; Wu, Bo; Wang, Baomin; Zhou, Yong-Gui","Chiral Phosphoric Acid-Catalyzed Synthesis of Fluorinated 5,6-Dihydroindolo[1,2- c]quinazolines with Quaternary Stereocenters.","The Journal of organic chemistry","2019","84","12","8300","8308","10.1021/acs.joc.9b00985","","","1.54178","CuKα","","0.0602","0.0432","","","0.0969","0.1092","","","","","","1.041","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037579","6.4612","0.0002","11.7915","0.0004","15.9166","0.0005","90","","100.808","0.002","90","","1191.13","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0458","0.0381","","","0.0949","0.0993","","","","","","1.115","","","","has coordinates","236379","2020-10-21","18:00:00",""
"4037580","8.7751","0.0004","10.6282","0.0005","10.8238","0.0005","99.719","0.002","100.404","0.002","98.862","0.002","960.72","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0587","0.051","","","0.1218","0.1269","","","","","","1.128","","","","has coordinates","236380","2020-10-21","18:00:00",""
"4037581","9.5833","0.0004","12.0583","0.0005","13.2284","0.0006","103.165","0.002","101.617","0.002","90.07","0.002","1456.21","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","2","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.1579","0.0964","","","0.2553","0.2765","","","","","","1.045","","","","has coordinates","236382","2020-10-21","18:00:00",""
"4037582","7.8437","0.0002","11.9146","0.0003","20.1565","0.0006","90","","90","","90","","1883.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0366","0.0326","","","0.0781","0.0807","","","","","","1.105","","","","has coordinates","236383","2020-10-21","18:00:00",""
"4037583","5.5475","0.0012","22.29","0.005","8.951","0.002","90","","92.56","0.003","90","","1105.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Zhao, Peng; Wu, Xia; Geng, Xiao; Wang, Can; Zhou, You; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>/PhI(OAc)<sub>2</sub> Copromoted Amination Reaction: Synthesis of α-Dicarbonylsulfoximine Derivatives by Incorporating an Intact Dimethyl Sulfoxide.","The Journal of organic chemistry","2019","84","12","8322","8329","10.1021/acs.joc.9b01160","","","0.71073","MoKα","","0.051","0.0457","","","0.1431","0.1468","","","","","","1.095","","","","has coordinates","236385","2020-10-21","18:00:00",""
"4037584","18.901","0.003","18.901","0.003","17.635","0.003","90","","90","","90","","6300.1","1.8","113","2","113","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C42 H30 F2 Ge -","- C42 H30 F2 Ge -","- C336 H240 F16 Ge8 -","8","0.5","","Okamura, Kazuma; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Gear Slippage in Molecular Bevel Gears Bridged with a Group 14 Element.","The Journal of organic chemistry","2019","84","22","14636","14643","10.1021/acs.joc.9b02214","","","0.71073","MoKα","","0.0618","0.0493","","","0.1335","0.1393","","","","","","1.059","","","","has coordinates","236389","2020-10-21","18:00:00",""
"4037589","11.1405","0.0016","14.6954","0.0016","15.232","0.002","89.364","0.005","79.407","0.004","75.874","0.004","2375.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O4 -","- C25 H30.5 N2 O4 -","- C100 H122 N8 O16 -","4","2","","Vinayagam, Varathan; Mariappan, Arumugam; Jana, Mrinmoy; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Diastereoselective Ring-Opening of 7-Azabenzonorbornadienes with Aromatic Ketoximes: Synthesis of Benzophenanthridine Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02582","","","0.71073","MoKα","","0.1138","0.0609","","","0.1617","0.1996","","","","","","1.062","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037590","7.3","0.0015","13.91","0.003","14.63","0.003","89.86","0.03","87.29","0.03","81.82","0.03","1468.8","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H30 O4 -","- C46 H30 O4 -","- C92 H60 O8 -","2","1","","Ikemoto, Koki; Tokuhira, Toshiki; Uetani, Akari; Harabuchi, Yu; Sato, Sota; Maeda, Satoshi; Isobe, Hiroyuki","Fluorescence enhancement of aromatic macrocycles by lowering excited singlet state energies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02379","","","0.85","synchrotron","","0.0517","0.0402","","","0.1171","0.1215","","","","","","1.018","","","","has coordinates","242384","2020-10-21","18:00:00",""
"4037591","16.242","0.003","8.6494","0.0013","30.796","0.005","90","","91.409","0.003","90","","4325","1.2","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H27 Cl3 F6 N6 -","- C53 H27 Cl3 F6 N6 -","- C212 H108 Cl12 F24 N24 -","4","1","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.1297","0.0559","","","0.1097","0.1375","","","","","","0.968","","","","has coordinates,has disorder","242385","2020-10-21","18:00:00",""
"4037592","13.7267","0.0003","16.6061","0.0003","18.4124","0.0003","90","","106.634","0.008","90","","4021.4","0.2","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl3 F6 N4 -","- C47 H37 Cl3 F6 N4 -","- C188 H148 Cl12 F24 N16 -","4","1","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71075","MoKα","","0.0646","0.056","","","0.1388","0.144","","","","","","1.025","","","","has coordinates","242386","2020-10-21","18:00:00",""
"4037593","5.02838","0.00014","15.2818","0.0005","17.3664","0.0006","90","","97.708","0.007","90","","1322.42","0.08","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F6 N4 -","- C38 H20 F6 N4 -","- C76 H40 F12 N8 -","2","0.5","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71075","MoKα","","0.0598","0.0415","","","0.0867","0.0929","","","","","","1.046","","","","has coordinates","242387","2020-10-21","18:00:00",""
"4037594","26.063","0.009","7.813","0.003","30.718","0.01","90","","94.713","0.006","90","","6234","4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 F12 N4 -","- C40 H18 F12 N4 -","- C320 H144 F96 N32 -","8","2","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.2822","0.1068","","","0.1559","0.2525","","","","","","0.991","","","","has coordinates","242388","2020-10-21","18:00:00",""
"4037595","17.947","0.0016","7.9948","0.0007","17.5113","0.0016","90","","116.963","0.0016","90","","2239.5","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 F6 N6 -","- C60 H42 F6 N6 -","- C120 H84 F12 N12 -","2","0.5","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.0919","0.054","","","0.1485","0.1731","","","","","","1.008","","","","has coordinates","242389","2020-10-21","18:00:00",""
"4037596","16.1709","0.0011","16.1709","0.0011","53.531","0.004","90","","90","","90","","13998.2","1.7","90","","90","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C50 H36 Cl6 F12 N4 -","- C50 H36 Cl6 F12 N4 -","- C600 H432 Cl72 F144 N48 -","12","0.75","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.072","0.0627","","","0.1583","0.167","","","","","","1.036","","","","has coordinates,has disorder","242390","2020-10-21","18:00:00",""
"4037597","11.7586","0.0014","9.4191","0.0011","9.2033","0.0011","90","","104.092","0.001","90","","988.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O -","- C13 H12 O -","- C52 H48 O4 -","4","1","","Tummatorn, Jumreang; Batsomboon, Paratchata; Clark, Ronald J.; Alabugin, Igor V.; Dudley, Gregory B.","Strain-promoted azide-alkyne cycloadditions of benzocyclononynes.","The Journal of organic chemistry","2012","77","5","2093","2097","10.1021/jo300188y","","","0.71073","MoKα","","0.042","0.0385","","","0.1019","0.1052","","","","","","1.068","","","","has coordinates","243435","2020-10-21","18:00:00",""
"4037598","13.1194","0.0018","7.826","0.0011","14.852","0.002","90","","114.635","0.001","90","","1386.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tummatorn, Jumreang; Batsomboon, Paratchata; Clark, Ronald J.; Alabugin, Igor V.; Dudley, Gregory B.","Strain-promoted azide-alkyne cycloadditions of benzocyclononynes.","The Journal of organic chemistry","2012","77","5","2093","2097","10.1021/jo300188y","","","0.71073","MoKα","","0.0486","0.0425","","","0.1097","0.1147","","","","","","1.009","","","","has coordinates","243436","2020-10-21","18:00:00",""
"4037599","16.6113","0.0001","12.4437","0.0001","17.761","0.0002","90","","90","","90","","3671.31","0.06","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'3',5'-Dibromo-3,5-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C176 H112 Br16 N16 -","8","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","1.5418","CuKα","","0.0255","0.025","","","0.0673","0.0676","","","","","","1.101","","","","has coordinates","243437","2020-10-21","18:00:00",""
"4037600","8.2955","0.0002","14.6494","0.0003","35.3289","0.0007","90","","94.144","0.002","90","","4282.09","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Br2 N2 O2 -","- C24 H18 Br2 N2 O2 -","- C192 H144 Br16 N16 O16 -","8","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.71073","MoKα","","0.0594","0.045","","","0.0673","0.0711","","","","","","1.095","","","","has coordinates","243439","2020-10-21","18:00:00",""
"4037601","7.7417","0.0004","11.2941","0.0006","10.329","0.0004","90","","90","","90","","903.12","0.08","110","2","110","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","'3,5'-Dibromo-5,3'-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C44 H28 Br4 N4 -","2","0.5","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0426","0.0372","","","0.0905","0.0945","","","","","","1.071","","","","has coordinates","243440","2020-10-21","18:00:00",""
"4037602","11.8083","0.0002","11.954","0.0002","19.8145","0.0003","90","","90","","90","","2796.94","0.08","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Br2 Fe2 N2 -","- C34 H22 Br2 Fe2 N2 -","- C136 H88 Br8 Fe8 N8 -","4","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0435","0.035","","","0.0639","0.0666","","","","","","1.097","","","","has coordinates","243441","2020-10-21","18:00:00",""
"4037603","8.078","0.0001","11.2993","0.0001","15.5039","0.0002","102.689","0.001","98.153","0.001","90.893","0.001","1365.01","0.03","110","2","110","2","","","","","","","","5","P 1","P 1","1","","'5,5'-Dibromo-3,3'-diiodo-[4,4']bipyridinyl'","","- C10 H4 Br2 I2 N2 -","- C10 H4 Br2 I2 N2 -","- C40 H16 Br8 I8 N8 -","4","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0361","0.0317","","","0.0685","0.0707","","","","","","1.063","","","","has coordinates","243442","2020-10-21","18:00:00",""
"4037604","14.743","0.003","15.881","0.003","9.4082","0.0018","90","","102.849","0.004","90","","2147.6","0.7","170","2","170","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 -","- C60 H50 -","- C120 H100 -","2","0.5","","Lee, Yeon Ok; Pradhan, Tuhin; Yoo, Sangwook; Kim, Tae Hyun; Kim, Joohoon; Kim, Jong Seung","Enhanced electrogenerated chemiluminescence of phenylethynylpyrene derivatives: use of weakly electron-donating group as a substituent.","The Journal of organic chemistry","2012","77","24","11007","11013","10.1021/jo3010974","","","0.71073","MoKα","","0.1782","0.0505","","","0.1043","0.1238","","","","","","0.89","","","","has coordinates","243443","2020-10-21","18:00:00",""
"4037605","4.3177","0.0002","16.1033","0.0009","15.9891","0.001","90","","94.126","0.005","90","","1108.83","0.11","296","","296","","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C44 H44 N4 O24 -","4","1","","Kaur, Divneet; Luk, Hoi L.; Coldren, William; Srinivas, Pavan M.; Sridhar, Lakshetti; Prabhakar, Sripadi; Raghunathan, Partha; Guru Row, T. N.; Hadad, Christopher M.; Platz, Matthew S.; Eswaran, Sambasivan V.","Concomitant nitrene and carbene insertion accompanying ring expansion: spectroscopic, X-ray, and computational studies.","The Journal of organic chemistry","2014","79","3","1199","1205","10.1021/jo402621w","","x-ray","0.71073","MoKα","","0.065","0.05","","","0.1076","0.1231","","","","","","1.069","","","","has coordinates","243444","2020-10-21","18:00:00",""
"4037606","7.064","0.003","12.199","0.005","13.628","0.005","71.951","0.016","77.552","0.019","80.597","0.018","1084.4","0.8","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","Keto Indolo quinoxaline (common name)","1. [1,3]dioxolo[4',5':5,6]indolo[1,2-a]quinoxalin-6-yl (4-(tert-butyl)phenyl)methanone (IUPAC name)","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C54 H44 N4 O6 -","2","1","","Samala, Srinivas; Arigela, Rajesh K.; Kant, Ruchir; Kundu, Bijoy","Diversity-oriented synthesis of ketoindoloquinoxalines and indolotriazoloquinoxalines from 1-(2-nitroaryl)-2-alkynylindoles.","The Journal of organic chemistry","2014","79","6","2491","2500","10.1021/jo402783p","","","0.71075","MoKα","","0.0904","0.065","","","0.1892","0.2097","","","","","","1.015","","","","has coordinates","243445","2020-10-21","18:00:00",""
"4037607","22.2452","0.0012","8.0381","0.0005","12.3549","0.0006","90","","98.746","0.005","90","","2183.5","0.2","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 N2 O2 -","- C26 H16 Cl2 N2 O2 -","- C104 H64 Cl8 N8 O8 -","4","0.5","","Song, Hongyu; Chen, Dong; Pi, Chao; Cui, Xiuling; Wu, Yangjie","Palladium(II)-catalyzed direct regioselectively oxidative acylation of azobenzenes with toluene derivatives.","The Journal of organic chemistry","2014","79","7","2955","2962","10.1021/jo5000219","","","1.5418","CuKα","","0.0644","0.0505","","","0.1383","0.1515","","","","","","1.051","","","","has coordinates","243446","2020-10-21","18:00:00",""
"4037608","24.4859","0.0005","11.3635","0.0003","14.26","0.001","90","","125.123","0.009","90","","3245.3","0.4","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H76 N16 O12 -","- C60 H76 N16 O12 -","- C120 H152 N32 O24 -","2","0.5","","Katayama, Katsushi; Okamura, Takuya; Sunadome, Takuya; Nakagawa, Koji; Takeda, Hiroshi; Shiro, Motoo; Matsuda, Akira; Ichikawa, Satoshi","Synthesis and biological evaluation of quinaldopeptin.","The Journal of organic chemistry","2014","79","6","2580","2590","10.1021/jo500039d","","","1.54187","CuKα","","","0.0628","","","","0.1826","","","","","","1.003","","","","has coordinates","243447","2020-10-21","18:00:00",""
"4037609","11.096","0.003","11.096","0.003","31.919","0.008","90","","90","","90","","3929.9","1.8","293","2","293","2","","","","","","","see text","4","P 41 21 2","P 4abw 2nw","92","","","","- C24 H22 N2 S -","- C24 H22 N2 S -","- C192 H176 N16 S8 -","8","1","","Goel, Atul; Sharma, Ashutosh; Rawat, Madhu; Anand, R. S.; Kant, Ruchir","Synthesis of fluorescent C2-bridged teraryls and quateraryls for blue, sky-blue, and green color light-emitting devices.","The Journal of organic chemistry","2014","79","22","10873","10880","10.1021/jo501891w","","","0.71075","MoKα","","0.0398","0.0356","","","0.0807","0.0833","","","","","","1.049","","","","has coordinates","243448","2020-10-21","18:00:00",""
"4037610","20.428","0.003","40.293","0.005","9.1395","0.0011","90","","90","","90","","7522.8","1.7","100","0.5","100","0.5","","","","","","","","4","F d d 2","F 2 -2d","43","frosj01","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C368 H400 N16 O32 -","16","1","","Jacob, Steven D.; Brooks, Joshua L.; Frontier, Alison J.","No acid required: 4π and 6π electrocyclization reactions of dienyl diketones for the synthesis of cyclopentenones and 2H-Pyrans.","The Journal of organic chemistry","2014","79","21","10296","10302","10.1021/jo501914w","","","0.71073","MoKα","","0.1072","0.0544","","","0.0904","0.1041","","","","","","0.838","","","","has coordinates","243449","2020-10-21","18:00:00",""
"4037611","9.6295","0.0004","11.0331","0.0004","15.6854","0.0005","90","","90","","90","","1666.47","0.11","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C76 H64 N8 O8 S4 -","4","1","","Zhang, Duo; Cui, Xiuling; Zhang, Qianqian; Wu, Yangjie","Pd-catalyzed direct C-H bond sulfonylation of azobenzenes with arylsulfonyl chlorides.","The Journal of organic chemistry","2015","80","3","1517","1522","10.1021/jo502451k","","","1.54184","CuKα","","0.0428","0.038","","","0.0956","0.1005","","","","","","1.04","","","","has coordinates","243450","2020-10-21","18:00:00",""
"4037612","17.1992","0.001","11.0779","0.0006","10.6606","0.0006","90","","97.526","0.001","90","","2013.7","0.2","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","1","","Kimber, M. C.; Try, A. C.; Painter, L.; Harding, M. M.; Turner, P.","Synthesis of functionalized chiral carbocyclic cleft molecules complementary to Tröger's base derivatives.","The Journal of organic chemistry","2000","65","10","3042","3046","10.1021/jo991741p","","","0.71073","MoKα","","0.1096","0.0599","","","0.1152","0.1369","","","","","","1.072","","","","has coordinates","243451","2020-10-21","18:00:00",""
"4037613","8.2666","0.0007","8.808","0.001","32.691","0.001","90","","90","","90","","2380.3","0.3","294","2","294","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C124 H96 O16 -","4","0.5","","Kimber, M. C.; Try, A. C.; Painter, L.; Harding, M. M.; Turner, P.","Synthesis of functionalized chiral carbocyclic cleft molecules complementary to Tröger's base derivatives.","The Journal of organic chemistry","2000","65","10","3042","3046","10.1021/jo991741p","","","1.54178","CuKα","","0.0414","0.0332","","","0.0934","0.0987","","","","","","1.026","","","","has coordinates","243451","2020-10-21","18:00:00",""
"4037614","11.763","0.001","10.521","0.002","11.45","0.001","90","","92.85","0.01","90","","1415.3","0.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N2 O6 -","- C17 H10 N2 O6 -","- C68 H40 N8 O24 -","4","0.5","","Kimber, M. C.; Try, A. C.; Painter, L.; Harding, M. M.; Turner, P.","Synthesis of functionalized chiral carbocyclic cleft molecules complementary to Tröger's base derivatives.","The Journal of organic chemistry","2000","65","10","3042","3046","10.1021/jo991741p","","","1.54178","CuKα","","0.0637","0.0397","","","0.1146","0.1273","","","","","","1.037","","","","has coordinates","243451","2020-10-21","18:00:00",""
"4037615","14.1687","0.0019","5.1867","0.0007","22.746","0.003","90","","100.692","0.002","90","","1642.6","0.4","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","0.5","","Kimber, M. C.; Try, A. C.; Painter, L.; Harding, M. M.; Turner, P.","Synthesis of functionalized chiral carbocyclic cleft molecules complementary to Tröger's base derivatives.","The Journal of organic chemistry","2000","65","10","3042","3046","10.1021/jo991741p","","","0.71073","MoKα","","0.0698","0.056","","","0.1536","0.1655","","","","","","1.074","","","","has coordinates","243451","2020-10-21","18:00:00",""
"4037616","19.766","0.004","9.0401","0.0015","4.6202","0.0008","90","","90","","90","","825.6","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 Br F3 -","- C8 H6 Br F3 -","- C32 H24 Br4 F12 -","4","0.5","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.0386","0.027","","","0.0566","0.0597","","","","","","1.054","","","","has coordinates","243745","2020-10-21","18:00:00",""
"4037617","23.336","0.008","7.0039","0.0017","17.87","0.006","90","","130.76","","90","","2212.3","1.2","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H46.52 Cl5 F12 K N4 O21.27 -","- C24 H46.524 Cl5 F12 K N4 O21.262 -","- C48 H93.048 Cl10 F24 K2 N8 O42.524 -","2","0.5","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.0948","0.0755","","","0.1904","0.2064","","","","","","1.072","","","","has coordinates,has disorder","243746","2020-10-21","18:00:00",""
"4037618","5.9984","0.0018","12.944","0.006","13.935","0.006","66.928","0.008","80.968","0.01","83.515","0.009","981.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 F3 O2 -","- C10 H13 F3 O2 -","- C40 H52 F12 O8 -","4","2","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.1308","0.0596","","","0.1217","0.15","","","","","","0.99","","","","has coordinates","243747","2020-10-21","18:00:00",""
"4037619","9.4","0.004","6.986","0.004","10.481","0.006","90","","113.12","0.02","90","","633","0.6","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 F3 N O -","- C5 H6 F3 N O -","- C20 H24 F12 N4 O4 -","4","1","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.051","0.0372","","","0.0856","0.0947","","","","","","1.059","","","","has coordinates","243748","2020-10-21","18:00:00",""
"4037620","6.189","0.002","10.596","0.004","21.448","0.007","90","","90.847","0.011","90","","1406.4","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 Cl F3 N -","- C4 H7 Cl F3 N -","- C32 H56 Cl8 F24 N8 -","8","2","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.1092","0.0609","","","0.141","0.1606","","","","","","1.046","","","","has coordinates,has disorder","243749","2020-10-21","18:00:00",""
"4037621","10.48162","0.00016","25.1927","0.0003","10.92227","0.00018","90","","112.693","0.0019","90","","2660.87","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O2 Si -","- C34 H28 O2 Si -","- C136 H112 O8 Si4 -","4","1","","Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong","Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02383","","x-ray","1.54184","CuKα","","0.0381","0.0346","","","0.0887","0.0907","","","","","","1.052","","","","has coordinates","243750","2020-10-21","18:00:00",""
"4037622","11.3399","0.0003","13.8595","0.0004","22.0282","0.0006","99.791","0.002","101.6","0.002","99.044","0.002","3275.62","0.16","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 Si -","- C40 H40 Si -","- C160 H160 Si4 -","4","2","","Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong","Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02383","","x-ray","1.54184","CuKα","","0.0688","0.0526","","","0.1364","0.1462","","","","","","1.056","","","","has coordinates,has disorder","243751","2020-10-21","18:00:00",""
"4037623","7.2092","0.0001","10.1801","0.0002","17.1836","0.0004","81.981","0.002","79.04","0.002","82.22","0.002","1218.29","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 F2 Si -","- C32 H22 F2 Si -","- C64 H44 F4 Si2 -","2","1","","Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong","Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02383","","x-ray","1.54184","CuKα","","0.0347","0.0335","","","0.0884","0.0893","","","","","","1.034","","","","has coordinates","243752","2020-10-21","18:00:00",""
"4037624","12.066","0.003","10.127","0.003","18.528","0.005","90","","90.135","0.018","90","","2264","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br N2 O3 S -","- C24 H21 Br N2 O3 S -","- C96 H84 Br4 N8 O12 S4 -","4","1","","Das, Deb K.; Kannaujiya, Vinod Kumar; Sadhu, Milon Mohan; Ray, Sumit Kumar; Singh, Vinod K.","BF3·OEt2 Catalyzed Vinyl Azides Addition to in situ Generated N-Acyl Iminium Salts: Synthesis of 3-Oxoisoindoline-1-acetamides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02127","","","0.71073","MoKα","","0.0861","0.0499","","","0.1151","0.1397","","","","","","0.983","","","","has coordinates","243802","2020-10-21","18:00:00",""
"4037625","8.094","0.0007","7.7986","0.0006","24.204","0.002","90","","94.247","0.002","90","","1523.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 -","- C18 H15 N5 -","- C72 H60 N20 -","4","1","","Tseng, Ching-Chun; Tsai, Shuo-En; Li, Sin-Min; Wong, Fung Fuh","One-Pot Acid-promoted Synthesis of 6-Aminopyrazolopyrimidines from 1<i>H</i>-Pyrazol-5-yl-<i>N</i>,<i>N</i>-dimethylformamidines or 5-Amino-1<i>H</i>-pyrazole-4-carbaldehydes with Cyanamide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02653","","","0.71073","MoKα","","0.0691","0.0502","","","0.1265","0.1394","","","","","","1.064","","","","has coordinates","243803","2020-10-21","18:00:00",""
"4037626","12.8305","0.0012","9.6","0.0009","17.8131","0.0016","90","","119.99","0.003","90","","1900.3","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Yuan, Yu-Chao; Goujon, Marion; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","C-H Bond Alkylation of Cyclic Amides with Maleimides via a Site-Selective-Determining Six-Membered Ruthenacycle.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02690","","x-ray","0.71073","MoKα","","0.101","0.0872","","","0.232","0.2434","","","","","","1.147","","","","has coordinates","245136","2020-10-21","18:00:00",""
"4037627","6.1597","0.0005","21.6415","0.0017","9.9582","0.0008","90","","98.754","0.001","90","","1312.02","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl (Z)-4-(1-hydroxy-4,4-dimethyl-3-oxopent-1-en-1-yl)benzoate","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Liu, Xiaochen; Hong, Dongsub; Sapir, Netanel G.; Yang, Wen; Hersh, William H.; Leung, Pak-Hing; Yang, Dingqiao; Chen, Yu","Iron-Catalyzed Transfer Hydrogenation in Aged <i>N</i>-Methyl-2-pyrrolidone: Reductive Ring-Opening of 3,5-Disubstituted Isoxazoles and Isoxazolines.","The Journal of organic chemistry","2019","84","24","16204","16213","10.1021/acs.joc.9b02733","","","0.71073","MoKα","","0.0387","0.0362","","","0.0921","0.0942","","","","","","1.029","","","","has coordinates","246577","2020-10-21","18:00:00",""
"4037628","12.6965","0.0013","17.3542","0.0018","19.577","0.002","78.42","0.003","87.087","0.003","80.742","0.003","4169.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H105.5 Cl1.5 N8 Si4 -","- C91 H105.5 Cl1.5 N8 Si4 -","- C182 H211 Cl3 N16 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.191","0.1222","","","0.3172","0.3785","","","","","","1.026","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037629","15.2399","0.0007","16.3922","0.0009","17.7725","0.001","101.974","0.0018","113.986","0.0015","106.368","0.0015","3619.9","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H98 N4 Si4 -","- C78 H98 N4 Si4 -","- C156 H196 N8 Si8 -","2","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1012","0.0629","","","0.155","0.1807","","","","","","1.028","","","","has coordinates","246575","2020-10-21","18:00:00",""
"4037630","12.4305","0.0009","25.215","0.002","21.1193","0.0019","90","","93.47","0.003","90","","6607.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 N4 Si4 -","- C70 H94 N4 Si4 -","- C280 H376 N16 Si16 -","4","1","","Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun","U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.","The Journal of organic chemistry","2020","85","1","291","295","10.1021/acs.joc.9b02895","","","0.71073","MoKα","","0.1802","0.0836","","","0.1983","0.2565","","","","","","1.023","","","","has coordinates,has disorder","246575","2020-10-21","18:00:00",""
"4037631","14.2282","0.0014","9.0871","0.0009","16.8947","0.0016","90","","94.998","0.003","90","","2176.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti","Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone.","The Journal of organic chemistry","2019","84","24","16124","16138","10.1021/acs.joc.9b02608","","","0.71073","MoKα","","0.1987","0.0801","","","0.1603","0.2108","","","","","","1.01","","","","has coordinates","246578","2020-10-21","18:00:00",""
"4037632","5.757","0.004","12.135","0.008","11.539","0.007","90","","102.075","0.007","90","","788.3","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti","Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone.","The Journal of organic chemistry","2019","84","24","16124","16138","10.1021/acs.joc.9b02608","","x-ray","0.71073","MoKα","","0.0378","0.0347","","","0.096","0.099","","","","","","1.039","","","","has coordinates","246578","2020-10-21","18:00:00",""
"4037633","54.6587","0.0011","5.86885","0.00011","29.3845","0.0004","90","","99.241","0.002","90","","9303.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Boc-5-amino-pent-3-(E)-enoyl-NHiPr","isopropyl 5-(tert-butoxycarbonyl)aminopent-3-(E)-enoylamide","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C312 H576 N48 O72 -","24","3","","Marafon, Giulia; Moretto, Alessandro; Zanuy, David; Alemán, Carlos; Crisma, Marco; Toniolo, Claudio","Effect on the Conformation of a Terminally Blocked, (<i>E</i>) β,γ-Unsaturated δ-Amino Acid Residue Induced by Carbon Methylation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02544","","","1.54184","CuKα","","0.0821","0.0548","","","0.1502","0.166","","","","","","1.044","","","","has coordinates","245143","2020-10-21","18:00:00",""
"4037634","5.99","0.002","8.937","0.002","17.928","0.003","88.95","0.05","87.04","0.08","80.67","0.07","945.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Boc-5-amino-2,2,5,5-tetramethyl-pent-3-(E)-enoyl-NHiPr","","","- C17 H32 N2 O3 -","- C17 H32 N2 O3 -","- C34 H64 N4 O6 -","2","1","","Marafon, Giulia; Moretto, Alessandro; Zanuy, David; Alemán, Carlos; Crisma, Marco; Toniolo, Claudio","Effect on the Conformation of a Terminally Blocked, (<i>E</i>) β,γ-Unsaturated δ-Amino Acid Residue Induced by Carbon Methylation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02544","","","1.54178","CuKα","","0.0736","0.0692","","","0.1924","0.2017","","","","","","1.059","","","","has coordinates","245144","2020-10-21","18:00:00",""
"4037635","9.1653","0.0003","9.4255","0.0003","10.5148","0.0003","107.58","0.003","91.726","0.003","106.465","0.003","823.74","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Azidocarbonyl-5-amino-2,2,5,5-tetramethyl-pent-3-(E)-enoyl-NHiPr","","","- C13 H23 N5 O2 -","- C13 H23 N5 O2 -","- C26 H46 N10 O4 -","2","1","","Marafon, Giulia; Moretto, Alessandro; Zanuy, David; Alemán, Carlos; Crisma, Marco; Toniolo, Claudio","Effect on the Conformation of a Terminally Blocked, (<i>E</i>) β,γ-Unsaturated δ-Amino Acid Residue Induced by Carbon Methylation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02544","","","1.54184","CuKα","","0.055","0.0523","","","0.1533","0.1567","","","","","","1.079","","","","has coordinates,has disorder","245145","2020-10-21","18:00:00",""
"4037636","6.6742","0.0002","7.4741","0.0003","16.3336","0.0006","90","","90.847","0.003","90","","814.69","0.05","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 B N -","- C24 H16 B N -","- C48 H32 B2 N2 -","2","1","","Zhang, Peng-Fei; Zhuang, Fang-Dong; Sun, Ze-Hao; Lu, Yang; Wang, Jie-Yu; Pei, Jian","Rapid Construction of Fold-Line-Shaped BN-Embedded Polycyclic Aromatic Compounds through Diels-Alder Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02956","","x-ray","0.71073","MoKα","","0.0579","0.0532","","","0.1359","0.139","","","","","","1.042","","","","has coordinates,has disorder","245146","2020-10-21","18:00:00",""
"4037637","8.2149","0.0016","6.3407","0.0013","13.524","0.003","90","","95.51","0.03","90","","701.2","0.3","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H14 B N -","- C20 H14 B N -","- C40 H28 B2 N2 -","2","1","","Zhang, Peng-Fei; Zhuang, Fang-Dong; Sun, Ze-Hao; Lu, Yang; Wang, Jie-Yu; Pei, Jian","Rapid Construction of Fold-Line-Shaped BN-Embedded Polycyclic Aromatic Compounds through Diels-Alder Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02956","","","0.71073","MoKα","","0.0663","0.0616","","","0.1529","0.1577","","","","","","1.075","","","","has coordinates","245147","2020-10-21","18:00:00",""
"4037638","18.3228","0.0009","9.5884","0.0005","19.9324","0.001","90","","92.554","0.005","90","","3498.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O -","- C21 H25 N O -","- C168 H200 N8 O8 -","8","1","","Long, Jinguo; Le, Liyuan; Iwasaki, Takanori; Qiu, Renhua; Kambe, Nobuaki","Copper-catalyzed amination of C(sp3)-H bonds: from anilides to indolines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02404","","x-ray","0.71073","MoKα","","0.0445","0.0394","","","0.0949","0.0986","","","","","","1.045","","","","has coordinates","245148","2020-10-21","18:00:00",""
"4037639","9.9918","0.0004","11.8706","0.0005","12.7025","0.0005","64.07","0.001","69.591","0.001","74.657","0.001","1258.62","0.09","155","2","155","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 N O4 S -","- C30 H29 N O4 S -","- C60 H58 N2 O8 S2 -","2","1","","Liu, Yi-Wen; Mao, Zhuo-Ya; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Approach to Tertiary-Type β-Hydroxyl Carboxamides Through Sc(OTf)<sub>3</sub>-Catalyzed Addition of Ynamides and Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02854","","","1.54178","cukα","","0.0351","0.0349","","","0.0931","0.0933","","","","","","1.064","","","","has coordinates","245149","2020-10-21","18:00:00",""
"4037640","9.7668","0.0009","6.5552","0.0005","13.0878","0.0012","90","","102.392","0.003","90","","818.4","0.12","151","2","151","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Liu, Yi-Wen; Mao, Zhuo-Ya; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Approach to Tertiary-Type β-Hydroxyl Carboxamides Through Sc(OTf)<sub>3</sub>-Catalyzed Addition of Ynamides and Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02854","","","0.71073","mokα","","0.0444","0.0367","","","0.0801","0.0848","","","","","","1.061","","","","has coordinates","245150","2020-10-21","18:00:00",""
"4037641","10.7086","0.0003","15.3363","0.0004","19.0255","0.0005","90","","90","","90","","3124.56","0.15","153","2","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Tan, Chang-Yin; Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Xu, Peng-Fei","Asymmetric Organocatalytic [4 + 1] Annulations Involving Polarity Reversal Process: A Tandem Catalytic Approach to Highly Functionalized Spiropyrazolone Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02684","","","1.54178","CuKα","","0.0302","0.0296","","","0.0755","0.0761","","","","","","1.051","","","","has coordinates","245151","2020-10-21","18:00:00",""
"4037642","10.6986","0.0006","19.3964","0.0011","15.012","0.0008","90","","109.655","0.002","90","","2933.7","0.3","150","2","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H27 Cl N3 O4 -","- C34 H27 Cl N3 O4 -","- C136 H108 Cl4 N12 O16 -","4","2","","Tan, Chang-Yin; Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Xu, Peng-Fei","Asymmetric Organocatalytic [4 + 1] Annulations Involving Polarity Reversal Process: A Tandem Catalytic Approach to Highly Functionalized Spiropyrazolone Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02684","","","1.54178","CuKα","","0.0306","0.0296","","","0.0732","0.074","","","","","","1.044","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4037643","5.7417","0.0009","9.3943","0.0015","27.095","0.004","90","","90","","90","","1461.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Necardo, Cristiana; Alfano, Antonella Ilenia; Del Grosso, Erika; Pelliccia, Sveva; Galli, Ubaldina; Novellino, Ettore; Meneghetti, Fiorella; Giustiniano, Mariateresa; Tron, Gian Cesare","Aryl Azides as Forgotten Electrophiles in the Van Leusen Reaction: A Multicomponent Transformation Affording 4-Tosyl-1-arylimidazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02546","","","0.71073","MoKα","","0.0403","0.0348","","","0.0875","0.0929","","","","","","1.031","","","","has coordinates","245153","2020-10-21","18:00:00",""
"4037644","10.8374","0.0009","15.4836","0.0013","18.6142","0.0015","90","","90","","90","","3123.5","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-<i>Oxo</i>-Migration/Cyclization of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02525","","","0.71073","MoKα","","0.1343","0.0553","","","0.1519","0.1961","","","","","","1.032","","","","has coordinates,has disorder","245154","2020-10-21","18:00:00",""
"4037645","8.7013","0.0008","6.5826","0.0007","38.629","0.004","90","","95.329","0.002","90","","2203","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H19.5 Br Cl N O4 -","- C23 H19.5 Br Cl N O4 -","- C92 H78 Br4 Cl4 N4 O16 -","4","2","","Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-<i>Oxo</i>-Migration/Cyclization of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02525","","","0.71073","MoKα","","0.1344","0.0859","","","0.2115","0.2286","","","","","","1.063","","","","has coordinates,has disorder","245155","2020-10-21","18:00:00",""
"4037646","12.88588","0.0002","7.93205","0.00012","23.1683","0.0004","90","","97.0468","0.0015","90","","2350.18","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Zhang, Xu; Cao, Wen-Bin; Li, Hai-Yan; Xu, Xiao-Ping; Ji, Shun-Jun","Synthesis of Polysubstituted Maleimides <i>via</i> Metal-Free Cascade Reaction of Isocyanides and α-Diazoketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02830","","","1.54184","CuKα","","0.0772","0.0642","","","0.1756","0.1902","","","","","","1.049","","","","has coordinates","245156","2020-10-21","18:00:00",""
"4037647","6.40981","0.00016","7.8759","0.0002","21.6611","0.0006","93.1783","0.0015","94.9086","0.0015","105.547","0.0015","1046.14","0.05","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N3 O4 S -","- C23 H23 N3 O4 S -","- C46 H46 N6 O8 S2 -","2","1","","Tabata, Hidetsugu; Funaki, Kaoru; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Elucidation of the Active Conformation of Antiproliferative Sulfonamides, 5<i>N</i>-Arylsulfonyl-1,5-benzodiazepin-2-ones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02833","","","1.54187","CuKα","","0.1894","0.0846","","","0.1432","0.2065","","","","","","1.173","","","","has coordinates","245157","2020-10-21","18:00:00",""
"4037648","10.3226","0.0001","10.16952","0.0001","24.1342","0.0004","90","","90","","90","","2533.51","0.05","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Tabata, Hidetsugu; Funaki, Kaoru; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Elucidation of the Active Conformation of Antiproliferative Sulfonamides, 5<i>N</i>-Arylsulfonyl-1,5-benzodiazepin-2-ones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02833","","","1.54187","CuKα","","","0.0363","","","","0.1096","","","","","","1.249","","","","has coordinates","245158","2020-10-21","18:00:00",""
"4037649","16.249","0.005","6.4275","0.0018","19.982","0.006","90","","99.581","0.012","90","","2057.8","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","jslmc415","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","x-ray","0.71073","MoKα","","0.1843","0.075","","","0.1664","0.2248","","","","","","0.959","","","","has coordinates","245159","2020-10-21","18:00:00",""
"4037650","35.4935","0.001","10.4305","0.0003","9.3331","0.0003","90","","97.7407","0.0015","90","","3423.77","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","js1mc434 - 17SLA009","","","- C21 H30 O2 -","- C21 H30 O2 -","- C168 H240 O16 -","8","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","","0.71073","MoKα","","0.0884","0.0509","","","0.1299","0.1454","","","","","","1.035","","","","has coordinates","245160","2020-10-21","18:00:00",""
"4037651","8.9003","0.0003","12.0894","0.0005","45.652","0.0018","90","","90","","90","","4912.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","jslmc1059","","","- C28 H28 Br2 O4 -","- C28 H28 Br2 O4 -","- C224 H224 Br16 O32 -","8","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","","1.54178","CuKα","","0.1383","0.0874","","","0.2157","0.2469","","","","","","1.079","","","","has coordinates","245161","2020-10-21","18:00:00",""
"4037652","16.8212","0.0012","15.5272","0.0011","6.9008","0.0005","90","","96.655","0.004","90","","1790.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C88 H96 O16 -","4","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","x-ray","1.54184","CuKα","","0.0351","0.0345","","","0.093","0.0935","","","","","","1.024","","","","has coordinates","245162","2020-10-21","18:00:00",""
"4037653","11.082","0.002","11.691","0.002","13.348","0.003","71.65","0.03","70.54","0.03","64.18","0.03","1438.1","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H41 Cl N2 O2 S -","- C31 H41 Cl N2 O2 S -","- C62 H82 Cl2 N4 O4 S2 -","2","1","","Deng, Zhiqiang; Li, Guo-Xing; He, Gang; Chen, Gong","Photoredox-Mediated Remote C(sp<sup>3</sup>)-H Heteroarylation of <i>N</i>-Alkyl Sulfonamides.","The Journal of organic chemistry","2019","84","24","15777","15787","10.1021/acs.joc.9b02502","","","0.71073","MoKα","","0.0776","0.048","","","0.1183","0.16","","","","","","0.994","","","","has coordinates","246579","2020-10-21","18:00:00",""
"4037654","10.6558","0.0002","11.2377","0.0002","19.3781","0.0004","90","","90","","90","","2320.46","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Tarannum, Saima; Sk, Sahid; Das, Subhomoy; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Stereoselective Syntheses of Highly Functionalized Imidazolidines and Oxazolidines via Ring-Opening-Cyclization of Activated Aziridines and Epoxides with Amines and Aldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02278","","","0.71073","MoKα","","0.0314","0.0285","","","0.0787","0.0893","","","","","","1.157","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037655","11.0013","0.0016","11.2543","0.0016","11.7014","0.0018","99.691","0.002","100.013","0.002","115.188","0.002","1242.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","2","","Chen, Rongxiang; Wang, Kai-Kai; Wang, Zhan-Yong; Miao, Changqing; Wang, Doudou; Zhang, An-An; Liu, Lantao","Synthesis of γ-Lactones by TBAI-Promoted Intermolecular Carboesterification of Carboxylic Acids with Alkenes and Alcohols.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02568","","","0.71073","MoKα","","0.0661","0.044","","","0.1165","0.1331","","","","","","1.012","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037656","8.471","0.003","11.434","0.005","12.271","0.005","114.971","0.012","96.921","0.012","95.275","0.012","1056","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N4 O2 -","- C26 H20 N4 O2 -","- C52 H40 N8 O4 -","2","1","","Shah, Tariq A.; De, Pinaki Bhusan; Pradhan, Sourav; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed Regioselective C2 Amidation of Indoles Using Acyl Azides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02244","","","0.71073","MoKα","","0.117","0.0695","","","0.162","0.2173","","","","","","0.9","","","","has coordinates","245166","2020-10-21","18:00:00",""
"4037657","7.2982","0.0006","9.6873","0.0008","11.2859","0.0009","103.888","0.002","100.511","0.002","92.732","0.002","758.08","0.11","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 F N4 O -","- C19 H13 F N4 O -","- C38 H26 F2 N8 O2 -","2","1","","Shah, Tariq A.; De, Pinaki Bhusan; Pradhan, Sourav; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed Regioselective C2 Amidation of Indoles Using Acyl Azides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02244","","","0.71073","MoKα","","0.0513","0.0425","","","0.1217","0.1364","","","","","","1.07","","","","has coordinates","245167","2020-10-21","18:00:00",""
"4037658","11.3905","0.0002","6.8267","0.0002","18.0192","0.0004","90","","102.296","0.001","90","","1369.02","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl N O5 -","- C33 H26 Cl N O5 -","- C66 H52 Cl2 N2 O10 -","2","1","","Zhang, Xingyu; Feng, Manli; Yang, Gaosheng; Chai, Zhuo","Sc(OTf)3-Catalyzed Chemodivergent Annulations of γ-Butyrolactone Fused Cyclopropanes with Anthranils.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02444","","","1.54178","CuKα","","0.0496","0.0371","","","0.0708","0.076","","","","","","1.099","","","","has coordinates","245168","2020-10-21","18:00:00",""
"4037659","10.318","0.003","8.418","0.002","26.443","0.008","90","","93.828","0.004","90","","2291.6","1.1","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C120 H96 Cl4 N4 O8 -","4","1","","Zhang, Xingyu; Feng, Manli; Yang, Gaosheng; Chai, Zhuo","Sc(OTf)3-Catalyzed Chemodivergent Annulations of γ-Butyrolactone Fused Cyclopropanes with Anthranils.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02444","","","0.71073","MoKα","","0.0966","0.0711","","","0.142","0.1505","","","","","","1.125","","","","has coordinates","245169","2020-10-21","18:00:00",""
"4037660","11.4226","0.0011","10.6852","0.0011","20.1313","0.0018","90","","104.995","0.005","90","","2373.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O7 -","- C27 H22 N2 O7 -","- C108 H88 N8 O28 -","4","1","","Zhang, Xingyu; Feng, Manli; Yang, Gaosheng; Chai, Zhuo","Sc(OTf)3-Catalyzed Chemodivergent Annulations of γ-Butyrolactone Fused Cyclopropanes with Anthranils.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02444","","","1.54178","CuKα","","0.1548","0.0659","","","0.1589","0.202","","","","","","1.017","","","","has coordinates","245170","2020-10-21","18:00:00",""
"4037661","5.0931","0.0004","11.8467","0.0008","5.4611","0.0004","90","","111.883","0.009","90","","305.76","0.04","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.0524","0.0359","","","0.0871","0.0936","","","","","","1.088","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037662","7.0167","0.0005","7.0167","0.0005","5.4894","0.0003","90","","90","","120","","234.06","0.03","173","","173","","","","","","","","","4","P 31","P 31","144","","gamma glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.0377","0.0354","","","0.0797","0.0806","","","","","","1.119","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037663","7.0145","0.0004","7.0145","0.0004","5.4826","0.0003","90","","90","","120","","233.62","0.02","173","","173","","","","","","","","","4","P 32","P 32","145","","Glycine beta","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.087","0.0813","","","0.2447","0.2475","","","","","","1.212","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037664","8.3685","0.0003","12.5338","0.0004","5.655","0.0002","90","","99.548","0.004","90","","584.93","0.04","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl glycinate hydrochloride","","- C3 H8 Cl N O2 -","- C3 H8 Cl N O2 -","- C12 H32 Cl4 N4 O8 -","4","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.0583","0.0503","","","0.1502","0.1534","","","","","","1.247","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037665","10.2622","0.0014","14.125","0.002","6.684","0.0009","90","","90","","90","","968.9","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C2 H3 N5 O2 -","- C2 H3 N5 O2 -","- C16 H24 N40 O16 -","8","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.064","0.0377","","","0.0876","0.1001","","","","","","1.085","","","","has coordinates","245172","2020-10-21","18:00:00",""
"4037666","7.2828","0.0005","15.3529","0.0009","8.8881","0.0006","90","","96.054","0.004","90","","988.25","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N13 -","- C6 H3 N13 -","- C24 H12 N52 -","4","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.0851","0.0412","","","0.0774","0.0911","","","","","","0.998","","","","has coordinates","245173","2020-10-21","18:00:00",""
"4037667","8.802","0.0005","6.9928","0.0004","11.5535","0.0007","90","","92.272","0.002","90","","710.57","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N16 O2 -","- C8 H4 N16 O2 -","- C16 H8 N32 O4 -","2","0.5","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.0616","0.0389","","","0.0933","0.1043","","","","","","1.038","","","","has coordinates","245174","2020-10-21","18:00:00",""
"4037668","5.4786","0.0002","8.2604","0.0003","19.415","0.0006","90","","90","","90","","878.63","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N5 O3 S -","- C4 H9 N5 O3 S -","- C16 H36 N20 O12 S4 -","4","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.0441","0.0324","","","0.0737","0.0787","","","","","","1.03","","","","has coordinates","245175","2020-10-21","18:00:00",""
"4037669","8.9974","0.0004","11.1134","0.0005","12.3498","0.0006","109.144","0.003","96.624","0.003","105.578","0.003","1095.29","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C52 H44 O12 S2 -","2","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0451","0.0379","","","0.1004","0.1058","","","","","","1.062","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037670","17.864","0.004","15.417","0.004","7.9315","0.0018","90","","90","","90","","2184.4","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 O7 S -","- C24 H28 O7 S -","- C96 H112 O28 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.05","0.0416","","","0.0894","0.0925","","","","","","1.076","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037671","10.8679","0.001","22.598","0.002","9.3473","0.0008","90","","108.664","0.004","90","","2174.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F O6 S -","- C26 H21 F O6 S -","- C104 H84 F4 O24 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0534","0.0408","","","0.1055","0.1142","","","","","","1.046","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037672","10.1806","0.0011","22.707","0.002","11.1057","0.0013","90","","107.658","0.005","90","","2446.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O6 S -","- C29 H28 O6 S -","- C116 H112 O24 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0414","0.0339","","","0.0862","0.0909","","","","","","1.049","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037673","16.7195","0.0005","15.7342","0.0005","10.2217","0.0003","90","","90.328","0.001","90","","2688.96","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O7 S -","- C30 H32 O7 S -","- C120 H128 O28 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.042","0.0334","","","0.0781","0.0854","","","","","","1.028","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037674","12.9789","0.001","12.9834","0.001","15.1869","0.0012","84.523","0.002","66.41","0.002","78.824","0.002","2300.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Cl O6 S -","- C27 H23 Cl O6 S -","- C108 H92 Cl4 O24 S4 -","4","2","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0427","0.0325","","","0.08","0.0858","","","","","","1.037","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037675","12.6557","0.0011","14.4552","0.0012","16.5189","0.0015","82.644","0.003","87.9","0.003","68.138","0.002","2781.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 O14 S2 -","- C60 H64 O14 S2 -","- C120 H128 O28 S4 -","2","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0996","0.0677","","","0.1712","0.1882","","","","","","1.069","","","","has coordinates,has disorder","245176","2020-10-21","18:00:00",""
"4037676","10.8962","0.0007","16.0021","0.0008","14.7675","0.0009","90","","103.819","0.003","90","","2500.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C104 H88 O24 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0609","0.0447","","","0.1029","0.1106","","","","","","1.041","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037677","5.685","0.0004","15.5496","0.0013","20.7033","0.0015","90","","91.102","0.001","90","","1829.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 S2 -","- C18 H20 O4 S2 -","- C72 H80 O16 S8 -","4","1","","Fan, Jian; Zhao, Yiming; Zhang, Jitan; Xie, Meihua; Zhang, Yuzhong","Acid-Controlled Access to β-Sulfenyl Ketones and ,β-Disulfonyl Ketones by Pummerer Reaction of β-Keto Sulfones and Sulfoxides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02766","","","0.71073","MoKα","","0.0673","0.0578","","","0.1613","0.1709","","","","","","1.055","","","","has coordinates","245222","2020-10-21","18:00:00",""
"4037678","10.9523","0.0009","27.121","0.002","7.7458","0.0006","90","","121.221","0.007","90","","1967.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H18 Br N O3 -","- C23 H18 Br N O3 -","- C92 H72 Br4 N4 O12 -","4","1","","Wang, Yu-Chao; Liu, Jin-Biao; Zhou, Hongwei; Rojsitthisak, Pornchai; Qiu, Guanyinsheng; Xie, Wenlin","Ortho-Hydroxylative ipso-Cyclization of N-arylpropiolamide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02590","","","0.71073","MoKα","","0.0304","0.0274","","","0.0643","0.0658","","","","","","1.007","","","","has coordinates","245287","2020-10-21","18:00:00",""
"4037679","14.642","0.004","6.9063","0.0019","18.044","0.005","90","","102.016","0.003","90","","1784.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 N O4 -","- C18 H17 Br2 N O4 -","- C72 H68 Br8 N4 O16 -","4","1","","Wang, Yu-Chao; Liu, Jin-Biao; Zhou, Hongwei; Rojsitthisak, Pornchai; Qiu, Guanyinsheng; Xie, Wenlin","Ortho-Hydroxylative ipso-Cyclization of N-arylpropiolamide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02590","","","0.71073","MoKα","","0.0472","0.0303","","","0.0645","0.0688","","","","","","1.008","","","","has coordinates","245288","2020-10-21","18:00:00",""
"4037680","7.9602","0.0002","15.4039","0.0004","12.2247","0.0003","90","","98.6554","0.0015","90","","1481.9","0.06","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0636","0.0459","","0.1095","0.1025","0.1095","","","","","","0.9935","","","","has coordinates","245336","2020-10-21","18:00:00",""
"4037681","6.4446","0.0001","14.5466","0.0002","37.4103","0.0004","90","","90","","90","","3507.1","0.08","150","","150","","","","","","","","local","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C152 H128 N16 O40 S8 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0481","0.0453","","0.1043","0.1029","0.1043","","","","","","1.0424","","","","has coordinates","245337","2020-10-21","18:00:00",""
"4037682","7.1854","0.0005","10.793","0.0008","12.3568","0.0007","81.329","0.006","88.911","0.005","79.292","0.006","930.81","0.11","150","","150","","","","","","","","local","5","P -1","-P 1","2","","","","- C17 H19 Cl2 N7 O2 -","- C17 H19 Cl2 N7 O2 -","- C34 H38 Cl4 N14 O4 -","2","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.088","0.075","","0.2009","0.1905","0.2009","","","","","","0.9984","","","","has coordinates","245338","2020-10-21","18:00:00",""
"4037683","3.836","0.0001","11.6306","0.0004","32.4071","0.0011","90","","91.612","0.003","90","","1445.27","0.08","150","","150","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0516","0.0482","","0.1353","0.1318","0.1353","","","","","","1.0021","","","","has coordinates","245339","2020-10-21","18:00:00",""
"4037684","13.4569","0.0002","6.5269","0.0001","17.6639","0.0002","90","","109.247","0.0016","90","","1464.73","0.04","150","","150","","","","","","","","Research School of Chemistry","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0345","0.0321","","0.0812","0.0794","0.0812","","","","","","0.9931","","","","has coordinates","245340","2020-10-21","18:00:00",""
"4037685","13.1847","0.0002","7.5178","0.0001","16.1336","0.0002","90","","98.2249","0.0008","90","","1582.71","0.04","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 O2 S -","- C19 H13 N3 O2 S -","- C76 H52 N12 O8 S4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0409","0.0357","","0.0994","0.0958","0.0994","","","","","","0.9875","","","","has coordinates","245341","2020-10-21","18:00:00",""
"4037686","14.0236","0.0002","15.8376","0.0002","19.3464","0.0002","90","","107.46","0.0007","90","","4098.88","0.09","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C216 H168 N24 -","12","3","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0519","0.0381","","0.096","0.0883","0.096","","","","","","0.972","","","","has coordinates","245342","2020-10-21","18:00:00",""
"4037687","17.2396","0.0002","17.2396","0.0002","8.5097","0.0002","90","","90","","90","","2529.12","0.07","200","","200","","","","","","","","local","3","P -4 21 c","P -4 2n","114","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C120 H128 N16 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0367","0.033","","0.0843","0.0815","0.0843","","","","","","0.9965","","","","has coordinates","245343","2020-10-21","18:00:00",""
"4037688","9.5218","0.0002","8.2073","0.0002","20.3649","0.0003","90","","96.7633","0.0013","90","","1580.41","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0693","0.0443","","0.1156","0.1036","0.1156","","","","","","0.9467","","","","has coordinates","245344","2020-10-21","18:00:00",""
"4037689","5.845","0.0001","10.0578","0.0002","14.217","0.0003","90","","90","","90","","835.79","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.061","0.0428","","0.0909","0.0803","0.0909","","","","","","1.0238","","","","has coordinates","245345","2020-10-21","18:00:00",""
"4037690","16.1616","0.0006","9.5535","0.0003","18.608","0.0006","90","","90","","90","","2873.07","0.17","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 -","- C19 H13 N3 -","- C152 H104 N24 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0745","0.0457","","0.1187","0.1017","0.1187","","","","","","0.9902","","","","has coordinates","245346","2020-10-21","18:00:00",""
"4037691","63.464","0.002","6.8824","0.0001","30.4144","0.0012","90","","129.298","0.006","90","","10280.4","1","150","","150","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N7 O5 S -","- C24 H19 N7 O5 S -","- C384 H304 N112 O80 S16 -","16","2","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0472","0.0403","","0.1048","0.1003","0.1048","","","","","","0.9816","","","","has coordinates","245347","2020-10-21","18:00:00",""
"4037692","15.3482","0.0006","5.9203","0.0002","17.8258","0.0007","90","","90.31","0.003","90","","1619.73","0.11","150","","150","","","","","","","","local","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N2 O2 S -","- C18 H13 Br N2 O2 S -","- C72 H52 Br4 N8 O8 S4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.7107","MoKα","","0.0406","0.0341","","0.0911","0.0871","0.0911","","","","","","1.0073","","","","has coordinates","245348","2020-10-21","18:00:00",""
"4037693","8.0748","0.0002","8.0842","0.0001","12.4871","0.0003","82.5503","0.0012","87.7791","0.001","67.7136","0.0012","747.83","0.03","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C18 H14 N2 O3 S -","- C18 H14 N2 O3 S -","- C36 H28 N4 O6 S2 -","2","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0397","0.0355","","0.0999","0.0966","0.0999","","","","","","0.989","","","","has coordinates","245349","2020-10-21","18:00:00",""
"4037694","9.8349","0.0002","11.6854","0.0003","17.3039","0.0003","87.6157","0.0012","86.7426","0.0014","86.4995","0.0011","1980.28","0.07","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C22 H25 N O3 S -","- C22 H25 N O3 S -","- C88 H100 N4 O12 S4 -","4","2","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0675","0.0451","","0.1091","0.1005","0.1091","","","","","","0.9807","","","","has coordinates","245350","2020-10-21","18:00:00",""
"4037695","21.002","0.003","11.9195","0.0015","8.3067","0.0011","90","","97.29","0.005","90","","2062.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O6 S -","- C24 H22 O6 S -","- C96 H88 O24 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0488","0.0383","","","0.096","0.1084","","","","","","1.053","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037696","20.5754","0.0016","11.9457","0.0008","8.2774","0.0006","90","","93.216","0.004","90","","2031.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F O6 S -","- C23 H19 F O6 S -","- C92 H76 F4 O24 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0489","0.038","","","0.0921","0.0997","","","","","","1.056","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037697","8.6975","0.0007","11.1079","0.0009","19.6779","0.0017","90","","90","","90","","1901.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br O4 S -","- C22 H17 Br O4 S -","- C88 H68 Br4 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0342","0.0283","","","0.0543","0.0561","","","","","","1.012","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037698","24.1977","0.0012","9.9696","0.0005","12.6028","0.0006","90","","90","","90","","3040.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 F3 O4 S -","- C16 H11 F3 O4 S -","- C128 H88 F24 O32 S8 -","8","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0574","0.0543","","","0.1316","0.1359","","","","","","1.039","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037699","8.3801","0.0012","9.4312","0.0012","11.0839","0.0015","97.183","0.006","105.437","0.006","113.837","0.006","745.01","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F4 O4 S -","- C16 H10 F4 O4 S -","- C32 H20 F8 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0489","0.0439","","","0.1125","0.1165","","","","","","1.107","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037700","10.573","0.0009","16.5389","0.0014","20.6478","0.0018","90","","90.648","0.002","90","","3610.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C184 H160 N16 O8 -","8","1","","Zhao, Yulei; Liu, Xu; Zheng, Lijun; Du, Yulan; Shi, Xinrui; Liu, Yunlin; Yan, Zhengquan; You, Jinmao; Jiang, Yuan-Ye","One-pot Methylenation-Cyclization Employing Two Molecules of CO2 with Arylamines and Enaminones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02858","","","0.71073","MoKα","","0.1012","0.0519","","","0.1367","0.1555","","","","","","1.06","","","","has coordinates","245353","2020-10-21","18:00:00",""
"4037701","8.3991","0.0006","8.9","0.0007","14.7773","0.0012","100.999","0.002","98.098","0.002","106.921","0.003","1014.46","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C48 H42 N6 O6 -","2","1","","Zhao, Yulei; Liu, Xu; Zheng, Lijun; Du, Yulan; Shi, Xinrui; Liu, Yunlin; Yan, Zhengquan; You, Jinmao; Jiang, Yuan-Ye","One-pot Methylenation-Cyclization Employing Two Molecules of CO2 with Arylamines and Enaminones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02858","","","0.71073","MoKα","","0.0845","0.0486","","","0.1089","0.1207","","","","","","1.036","","","","has coordinates,has disorder","245354","2020-10-21","18:00:00",""
"4037702","13.1789","0.0004","13.9012","0.0005","16.9206","0.0006","90","","90","","90","","3099.9","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3 in manuscript","","","- C16 H18 B Br O2 -","- C16 H18 B Br O2 -","- C128 H144 B8 Br8 O16 -","8","1","","Regulska, Elzbieta; Ruppert, Heiko; Rominger, Frank; Romero-Nieto, Carlos","Synthesis of Blue-Luminescent Seven-Membered Phosphorus Heterocycles","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02723","","","0.71073","MoKα","","0.0832","0.0555","","","0.132","0.1491","","","","","","1.027","","","","has coordinates","245355","2020-10-21","18:00:00",""
"4037703","17.3124","0.0012","8.7717","0.0006","20.9073","0.0014","90","","90","","90","","3175","0.4","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","5 in manuscript","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C160 H96 Br16 -","8","2","","Regulska, Elzbieta; Ruppert, Heiko; Rominger, Frank; Romero-Nieto, Carlos","Synthesis of Blue-Luminescent Seven-Membered Phosphorus Heterocycles","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02723","","","0.71073","MoKα","","0.0585","0.0409","","","0.0928","0.0991","","","","","","1.033","","","","has coordinates,has disorder","245355","2020-10-21","18:00:00",""
"4037704","8.3598","0.0001","11.9459","0.0001","32.5899","0.0004","90","","90","","90","","3254.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N3 O6 -","- C15 H14 Cl N3 O6 -","- C120 H112 Cl8 N24 O48 -","8","2","","Ding, Ya-Li; Zhao, Yun-Long; Niu, Shuang-Shuo; Wu, Pei; Cheng, Ying","Asymmetric Synthesis of Multifunctionalized 2,3-Benzodiazepines by a One-pot N-Heterocyclic Carbene/Chiral Palladium Sequential Catalysis.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02693","","x-ray","1.54184","CuKα","","0.0367","0.0315","","","0.077","0.0834","","","","","","1.099","","","","has coordinates","245356","2020-10-21","18:00:00",""
"4037705","6.626","0.0007","9.2576","0.001","9.4803","0.001","86.984","0.003","81.532","0.003","88.372","0.003","574.27","0.11","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Tripathi, Krishna N.; Belal, Md; Singh, Ravi P.","Organo Photoinduced Decarboxylative Alkylation of Coumarins with N-(Acyloxy)phthalimide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b00977","","","0.71073","MoKα","","0.0922","0.0516","","","0.1359","0.173","","","","","","0.691","","","","has coordinates","245357","2020-10-21","18:00:00",""
"4037706","8.02","0.005","8.024","0.005","9.517","0.005","74.721","0.015","66.617","0.015","61.92","0.014","493.7","0.5","161","2","161","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C24 H18 N2 O4 -","2","1","","Tripathi, Krishna N.; Belal, Md; Singh, Ravi P.","Organo Photoinduced Decarboxylative Alkylation of Coumarins with N-(Acyloxy)phthalimide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b00977","","","0.71073","MoKα","","0.1335","0.052","","","0.127","0.1938","","","","","","0.697","","","","has coordinates","245358","2020-10-21","18:00:00",""
"4037707","9.09016","0.00017","13.0151","0.0002","18.0663","0.0004","76.5013","0.0016","80.0816","0.0016","80.5167","0.0015","2029.92","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H106 Br2 F6 P2 Pd2 -","- C80 H106 Br2 F6 P2 Pd2 -","- C80 H106 Br2 F6 P2 Pd2 -","1","0.5","","Janot, Christopher; Chagnoleau, Jean-Baptiste; Halcovitch, Nathan R.; Muir, James C.; Aissa, Christophe","Palladium-Catalyzed Synthesis of α-Carbonyl-α'-(Hetero)aryl Sulfoxonium Ylides: Scope and Insight into the Mechanism.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03032","","x-ray","1.54184","CuKα","","0.0357","0.0353","","","0.0988","0.0995","","","","","","1.064","","","","has coordinates,has disorder","245406","2020-10-21","18:00:00",""
"4037708","24.575","0.007","5.6892","0.0011","32.315","0.012","90","","128.16","0.02","90","","3552","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C160 H152 N8 O24 S8 -","8","1","","Yang, Shichao; Wang, Lei; Wang, Lulu; Li, Hongji","Visible-Light Photoredox-Catalyzed Regioselective Sulfonylation of Alkenes Assisted by Oximes via [1,5]-H Migration.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02646","","","0.71073","MoKα","","0.1214","0.0551","","","0.1183","0.1485","","","","","","0.969","","","","has coordinates","245407","2020-10-21","18:00:00",""
"4037709","18.549","0.0002","15.9048","0.0002","7.709","0.0001","90","","90","","90","","2274.29","0.05","295","3","295","3","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H20 Br F3 N2 O -","- C26 H20 Br F3 N2 O -","- C104 H80 Br4 F12 N8 O4 -","4","1","","Xu, Xinyao; He, Yanmin; Zhou, Jingqi; Li, Xinjuan; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Michael Addition of Pyrazol-5-ones to β-Trifluoromethyl-α,β-unsaturated ketones: Stereocontrolled Construction of Vicinal Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02676","","x-ray","1.54184","CuKα","","0.032","0.0286","","","0.0731","0.0761","","","","","","1.032","","","","has coordinates","245408","2020-10-21","18:00:00",""
"4037710","10.6797","0.0001","14.616","0.0001","28.3819","0.0002","90","","90","","90","","4430.26","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F4 N2 O2 -","- C26 H20 F4 N2 O2 -","- C208 H160 F32 N16 O16 -","8","2","","Xu, Xinyao; He, Yanmin; Zhou, Jingqi; Li, Xinjuan; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Michael Addition of Pyrazol-5-ones to β-Trifluoromethyl-α,β-unsaturated ketones: Stereocontrolled Construction of Vicinal Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02676","","x-ray","1.54184","CuKα","","0.0454","0.0436","","","0.1195","0.1214","","","","","","1.035","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037711","9.639","0.003","11.716","0.004","13.177","0.005","89.481","0.004","78.344","0.004","70.108","0.004","1367.6","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 Cl N2 O6 -","- C31 H25 Cl N2 O6 -","- C62 H50 Cl2 N4 O12 -","2","1","","Zi, Quan-Xing; Yang, Chang-Long; Li, Kun; Luo, Qin; Lin, Jun; Yan, Sheng-Jiao","Multicomponent cascade reaction by metal-free aerobic oxidation for synthesis of highly functionalized 2-amino-4-cumarinyl-5-arylpyrroles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02063","","","0.71073","MoKα","","0.0897","0.0494","","","0.1063","0.1224","","","","","","1.019","","","","has coordinates","245410","2020-10-21","18:00:00",""
"4037712","8.589","0.002","15.353","0.004","22.146","0.006","90","","90","","90","","2920.3","1.3","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19 Cl F2 N2 O5 -","- C29 H19 Cl F2 N2 O5 -","- C116 H76 Cl4 F8 N8 O20 -","4","1","","Zi, Quan-Xing; Yang, Chang-Long; Li, Kun; Luo, Qin; Lin, Jun; Yan, Sheng-Jiao","Multicomponent cascade reaction by metal-free aerobic oxidation for synthesis of highly functionalized 2-amino-4-cumarinyl-5-arylpyrroles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02063","","","0.71073","MoKα","","0.185","0.1082","","","0.2631","0.2952","","","","","","1.587","","","","has coordinates,has disorder","245411","2020-10-21","18:00:00",""
"4037713","12.2966","0.0013","6.8639","0.0005","18.5829","0.0015","90","","90","","90","","1568.4","0.2","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H24 O -","- C21 H24 O -","- C84 H96 O4 -","4","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.0954","0.0645","","","0.1396","0.1683","","","","","","1.05","","","","has coordinates","245412","2020-10-21","18:00:00",""
"4037714","6.576","0.0002","10.0588","0.0003","10.2181","0.0004","90","","98.527","0.003","90","","668.42","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O -","- C18 H20 O -","- C36 H40 O2 -","2","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.0391","0.0355","","","0.0922","0.095","","","","","","0.975","","","","has coordinates","245413","2020-10-21","18:00:00",""
"4037715","9.4293","0.0016","10.2165","0.0015","17.616","0.002","90","","100.763","0.015","90","","1667.2","0.4","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.1545","0.0755","","","0.1486","0.2022","","","","","","1.048","","","","has coordinates","245414","2020-10-21","18:00:00",""
"4037716","9.3778","0.0006","21.6474","0.0013","6.9697","0.0005","90","","107.023","0.007","90","","1352.89","0.16","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.094","0.0592","","","0.1291","0.1577","","","","","","1.04","","","","has coordinates","245415","2020-10-21","18:00:00",""
"4037717","13.575","0.0007","20.2391","0.0011","20.8569","0.0011","90","","90.607","0.002","90","","5730","0.5","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C143 H121 Cl2 O13 -","- C143 H121 Cl2 O13 -","- C286 H242 Cl4 O26 -","2","1","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","1.54178","CuKα","","0.0454","0.0433","","","0.1199","0.1221","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037718","21.4937","0.0008","9.3227","0.0004","21.3572","0.0009","90","","104.637","0.002","90","","4140.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 S2 -","- C26 H18 O2 S2 -","- C208 H144 O16 S16 -","8","2","","Nejedlý, Jindřich; Šámal, Michal; Rybáček, Jiří; Sánchez, Isabel Gay; Houska, Václav; Warzecha, Tomáš; Vacek, Jaroslav; Sieger, Ladislav; Buděšínský, Miloš; Bednárová, Lucie; Fiedler, Pavel; Císařová, Ivana; Starý, Ivo; Stará, Irena G","Synthesis of Racemic, Diastereopure, and Enantiopure Carba- or Oxa[5]-, [6]-, [7]-, and -[19]helicene (Di)thiol Derivatives.","The Journal of organic chemistry","2020","85","1","248","276","10.1021/acs.joc.9b02965","","","0.71073","MoKα","","0.0521","0.038","","","0.0878","0.0935","","","","","","1.027","","","","has coordinates","246576","2020-10-21","18:00:00",""
"4037719","8.9116","0.0003","15.1687","0.0005","24.1124","0.0008","90","","90","","90","","3259.45","0.19","100","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N4 O8 -","- C34 H36 N4 O8 -","- C136 H144 N16 O32 -","4","1","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.0596","0.0482","","","0.1137","0.1207","","","","","","1.109","","","","has coordinates","245538","2020-10-21","18:00:00",""
"4037720","18.3998","0.0013","22.4395","0.0013","9.6817","0.0006","90","","90","","90","","3997.4","0.4","100","","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C192 H176 N32 O16 -","8","1","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.0281","0.0267","","","0.0662","0.0674","","","","","","1.076","","","","has coordinates","245539","2020-10-21","18:00:00",""
"4037721","49.8772","0.0019","13.6789","0.0005","26.949","0.0009","90","","105.632","0.002","90","","17706.3","1.1","100","","100.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H46 N4 O10 -","- C40 H46 N4 O10 -","- C640 H736 N64 O160 -","16","4","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.1728","0.1294","","","0.36","0.4066","","","","","","1.407","","","","has coordinates,has disorder","245540","2020-10-21","18:00:00",""
"4037722","12.484","0.002","15.984","0.003","20.269","0.003","90","","90","","90","","4044.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 Se -","- C22 H23 N O3 Se -","- C176 H184 N8 O24 Se8 -","8","2","","Wu, Di; Qiu, Jiashen; Li, Chengqiu; Yuan, Lexia; Yin, Hongquan; Chen, Fu-Xue","Lewis Acid-Catalyzed Asymmetric Selenocyanation of β-Ketoesters with N-Selenocyanatosaccharin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02786","","","0.71073","MoKα","","0.0787","0.0437","","","0.097","0.1131","","","","","","0.965","","","","has coordinates","245541","2020-10-21","18:00:00",""
"4037723","7.438","0.003","12.712","0.005","12.921","0.005","117.435","0.012","102.417","0.012","96.662","0.013","1025.8","0.7","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F2 N2 O2 -","- C26 H20 F2 N2 O2 -","- C52 H40 F4 N4 O4 -","2","1","","Mitra, Trisha; Kundu, Mrinalkanti; Roy, Brindaban","Additive Free, Pd-Catalyzed 3-Amino-1-Methyl-1H-Pyridin-2-one Directed C(sp2)-H Arylation and Methylation In Water.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02122","","","0.71073","MoKα","","0.1279","0.1059","","","0.2543","0.2883","","","","","","1.043","","","","has coordinates","245542","2020-10-21","18:00:00",""
"4037724","12.52766","0.00017","5.30576","0.00008","26.7682","0.0004","90","","97.703","0.0014","90","","1763.19","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Mao, Chun-Li; Zhao, Sheng; Zang, Zhong-Lin; Xiao, Lin; Zhou, Cheng-He; He, Yun; Cai, Gui-Xin","Pd-Catalyzed remote site- and stereo-selective C(alkenyl)-H alkenylation of unactivated cycloalkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02797","","","1.54184","CuKα","","0.063","0.0588","","","0.1653","0.1708","","","","","","1.058","","","","has coordinates","245561","2020-10-21","18:00:00",""
"4037725","14.0592","0.0004","21.5785","0.0006","22.5867","0.0007","107.463","0.0006","97.4559","0.0007","91.0639","0.0006","6469.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51.13 H50.27 N4 O4.57 -","- C51.1333 H50.2667 N4 O4.56667 -","- C306.8 H301.6 N24 O27.4 -","6","3","","Henderson, Will R.; Zhu, Yu; Fagnani, Danielle E.; Liu, Guancen; Abboud, Khalil A.; Castellano, Ronald K.","Self-Assembling [n.n]Paracyclophanes: A Structure-Property Relationship Study.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03120","","","0.71073","MoKα","","0.1021","0.0504","","","0.1299","0.1464","","","","","","0.935","","","","has coordinates,has disorder","245562","2020-10-21","18:00:00",""
"4037726","7.3315","0.0004","10.8147","0.0008","11.6977","0.0009","111.608","0.007","93.223","0.006","100.174","0.006","841.26","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N4 O2 S -","- C19 H14 N4 O2 S -","- C38 H28 N8 O4 S2 -","2","1","","Zhi, Changlei; Wang, Qiuling; Liu, Shuang; Xue, Yuting; Shi, Linlin; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Cu-Catalyzed Direct C7-Sulfonylation of Indolines with Arylsulfonyl Chlorides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02954","","x-ray","1.54184","CuKα","","0.0477","0.0413","","","0.1167","0.1252","","","","","","1.051","","","","has coordinates","245563","2020-10-21","18:00:00",""
"4037727","14.393","0.0004","7.2772","0.0002","16.8277","0.0005","90","","107.223","0.003","90","","1683.51","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O2 S -","- C19 H17 N3 O2 S -","- C76 H68 N12 O8 S4 -","4","1","","Zhi, Changlei; Wang, Qiuling; Liu, Shuang; Xue, Yuting; Shi, Linlin; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Cu-Catalyzed Direct C7-Sulfonylation of Indolines with Arylsulfonyl Chlorides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02954","","x-ray","1.54184","CuKα","","0.0506","0.0425","","","0.1186","0.1278","","","","","","1.036","","","","has coordinates","245564","2020-10-21","18:00:00",""
"4037728","24.832","0.003","10.9943","0.0011","14.9873","0.0014","90","","118.674","0.003","90","","3589.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C168 H184 N8 O16 -","8","1","","Li, Hui; Cui, Chun-Xiao; Zhang, Guang-Hua; Li, Xiao-Qiang; Yang, Jun","Regioselective Synthesis of Functionalized Dihydropyrones via Petasis Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02651","","","0.71073","MoKα","","0.0743","0.0492","","","0.1332","0.1432","","","","","","1.052","","","","has coordinates,has disorder","246203","2020-10-21","18:00:00",""
"4037729","14.299","0.0019","10.1735","0.0013","22.696","0.003","90","","90","","90","","3301.6","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Li, Hui; Cui, Chun-Xiao; Zhang, Guang-Hua; Li, Xiao-Qiang; Yang, Jun","Regioselective Synthesis of Functionalized Dihydropyrones via Petasis Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02651","","","0.71073","MoKα","","0.0681","0.046","","","0.113","0.1241","","","","","","1.018","","","","has coordinates","246204","2020-10-21","18:00:00",""
"4037730","8.2304","0.0011","13.6434","0.0017","10.9178","0.0012","90","","91.93","0.004","90","","1225.3","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C56 H44 F4 N8 O8 -","4","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0445","0.0363","","","0.0994","0.1043","","","","","","1.078","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037731","7.3","0.002","9.493","0.004","10.779","0.005","103.929","0.012","98.125","0.012","97.414","0.016","707.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0605","0.0448","","","0.1415","0.1591","","","","","","1.133","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037732","7.6992","0.0012","8.7622","0.0004","9.7258","0.0006","66.365","0.005","74.766","0.011","84.533","0.008","579.93","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C26 H22 N6 O4 -","2","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.1208","0.0923","","","0.3067","0.3195","","","","","","1.245","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037733","10.1364","0.0008","30.2806","0.0019","7.3026","0.0005","90","","106.248","0.007","90","","2151.9","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","4","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.2323","0.0697","","","0.1111","0.1606","","","","","","0.862","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037734","20.5404","0.0006","8.9927","0.0003","20.6948","0.0006","90","","90","","90","","3822.6","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Br N3 O2 -","- C22 H18 Br N3 O2 -","- C176 H144 Br8 N24 O16 -","8","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0905","0.0547","","","0.1078","0.119","","","","","","1.058","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037735","7.7957","0.0002","8.5442","0.0003","10.0862","0.0003","68.141","0.003","83.048","0.003","88.471","0.003","618.81","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0799","0.0535","","","0.1443","0.1784","","","","","","1.058","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037736","3.8196","0.0005","16.069","0.002","15.35","0.002","90","","92.661","0.006","90","","941.1","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N3 -","- C12 H7 N3 -","- C48 H28 N12 -","4","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0687","0.0433","","","0.0982","0.1071","","","","","","1.08","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037737","11.4837","0.0012","13.9123","0.0015","14.7681","0.0016","90","","102.717","0.004","90","","2301.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C96 H104 N8 O20 -","4","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","0.71073","MoKα","","0.1606","0.0623","","","0.1565","0.2028","","","","","","1.014","","","","has coordinates","246206","2020-10-21","18:00:00",""
"4037738","8.6937","0.001","11.3319","0.0013","12.5649","0.0015","69.2","0.003","87.711","0.004","88.616","0.004","1156.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N3 O5 -","- C24 H27 N3 O5 -","- C48 H54 N6 O10 -","2","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","0.71073","MoKα","","0.1713","0.0687","","","0.1675","0.2092","","","","","","1.037","","","","has coordinates","246207","2020-10-21","18:00:00",""
"4037739","10.213","0.0002","11.0231","0.0002","11.7635","0.0002","63.729","0.001","81.832","0.001","64.098","0.001","1066.08","0.04","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","1.54178","CuKα","","0.1027","0.0733","","","0.1337","0.1495","","","","","","1.118","","","","has coordinates,has disorder","246208","2020-10-21","18:00:00",""
"4037740","12.933","0.003","8.557","0.002","21.466","0.005","90","","106.644","0.007","90","","2276.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N3 O5 -","- C23 H25 N3 O5 -","- C92 H100 N12 O20 -","4","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","0.71073","MoKα","","0.1972","0.0797","","","0.1951","0.2382","","","","","","1.101","","","","has coordinates","246209","2020-10-21","18:00:00",""
"4037741","9.9238","0.0002","18.8348","0.0004","25.339","0.0005","90","","100.574","0.0011","90","","4655.76","0.17","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C200 H224 N16 O40 -","8","2","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","1.54178","CuKα","","0.0914","0.0603","","","0.1422","0.1642","","","","","","1.08","","","","has coordinates","246210","2020-10-21","18:00:00",""
"4037742","10.4973","0.0013","10.866","0.0014","12.6553","0.0016","86.754","0.004","68.669","0.004","86.726","0.005","1341.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cl2 N2 O4 -","- C31 H26 Cl2 N2 O4 -","- C62 H52 Cl4 N4 O8 -","2","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","1.54178","CuKα","","0.0598","0.0529","","","0.1407","0.1478","","","","","","1.08","","","","has coordinates,has disorder","246211","2020-10-21","18:00:00",""
"4037743","9.5128","0.0003","11.4465","0.0003","16.0517","0.0004","100.298","0.002","103.162","0.002","93.773","0.002","1664.13","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44.26 Cl N7 O8.13 -","- C32 H44.258 Cl N7 O8.129 -","- C64 H88.516 Cl2 N14 O16.258 -","2","1","","Tyszka-Gumkowska, Agata; Jurczak, Janusz","A General Method for High-Pressure-Promoted Postfunctionalization of Unclosed Cryptands: Potential Phase-Transfer Catalysts.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02985","","","1.54184","CuKα","","0.0514","0.0512","","","0.1402","0.1405","","","","","","1.032","","","","has coordinates","246278","2020-10-21","18:00:00",""
"4037744","15.9831","0.0001","8.1753","0.0001","28.593","0.0002","90","","92.563","0.001","90","","3732.41","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 Cl N8 O7 -","- C35 H51 Cl N8 O7 -","- C140 H204 Cl4 N32 O28 -","4","1","","Tyszka-Gumkowska, Agata; Jurczak, Janusz","A General Method for High-Pressure-Promoted Postfunctionalization of Unclosed Cryptands: Potential Phase-Transfer Catalysts.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02985","","","1.54184","CuKα","","0.0316","0.0307","","","0.0798","0.0805","","","","","","1.034","","","","has coordinates,has disorder","246279","2020-10-21","18:00:00",""
"4037745","11.0874","0.001","7.3311","0.0006","13.1798","0.0012","90","","99.6754","0.0019","90","","1056.05","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrrole-Ar","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Wang, Pengzhi; Lu, Futai; Lindsey, Jonathan S.","Use of the Nascent Isocyclic Ring to Anchor Assembly of the Full Skeleton of Model Chlorophylls","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02770","","","0.71073","MoKα","","0.0643","0.046","","","0.1192","0.1319","","","","","","1.046","","","","has coordinates","246280","2020-10-21","18:00:00",""
"4037746","3.9928","0.0002","20.0972","0.0006","28.7175","0.001","90","","90","","90","","2304.41","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Br-py-Ar","","","- C13 H12 Br N O -","- C13 H12 Br N O -","- C104 H96 Br8 N8 O8 -","8","2","","Wang, Pengzhi; Lu, Futai; Lindsey, Jonathan S.","Use of the Nascent Isocyclic Ring to Anchor Assembly of the Full Skeleton of Model Chlorophylls","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02770","","","0.71073","MoKα","","0.0473","0.0352","","","0.0684","0.0721","","","","","","1.021","","","","has coordinates","246281","2020-10-21","18:00:00",""
"4037747","7.3347","0.0007","9.2667","0.0009","10.0931","0.0009","81.472","0.003","79.362","0.003","74.83","0.003","647.1","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bc Half","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Wang, Pengzhi; Lu, Futai; Lindsey, Jonathan S.","Use of the Nascent Isocyclic Ring to Anchor Assembly of the Full Skeleton of Model Chlorophylls","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02770","","","0.71073","MoKα","","0.0654","0.042","","","0.0906","0.1011","","","","","","1.071","","","","has coordinates","246282","2020-10-21","18:00:00",""
"4037748","8.9625","0.0017","7.5595","0.0014","23.901","0.004","90","","95.83","0.005","90","","1611","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F2 N O2 -","- C19 H15 F2 N O2 -","- C76 H60 F8 N4 O8 -","4","1","","Qi, Linjun; Li, Renhao; Yao, Xinrong; Zhen, Qianqian; Ye, Pengqing; Shao, Yinlin; Chen, Jiuxi","Syntheses of Pyrroles, Pyridines, and Ketonitriles via Catalytic Carbopalladation of Dinitriles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02999","","","0.71073","MoKα","","0.1164","0.0793","","","0.151","0.1639","","","","","","1.174","","","","has coordinates","246283","2020-10-21","18:00:00",""
"4037749","8.2482","0.0004","10.0471","0.0005","12.1109","0.0005","96.3456","0.0014","99.423","0.0013","112.278","0.0012","899.67","0.07","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C42 H48 N4 O6 -","2","1","","Zhou, Yi-Guo; Wong, Henry N. C.; Peng, Xiao-Shui","Total Syntheses of (-)-Deoxoapodine, (-)-Kopsifoline D, and (-)-Beninine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02918","","","0.71073","MoKα","","0.0477","0.0391","","","0.0992","0.1062","","","","","","1.034","","","","has coordinates","246284","2020-10-21","18:00:00",""
"4037750","8.5202","0.0004","11.2279","0.0006","17.8067","0.0008","90","","102.046","0.0013","90","","1665.95","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Zhou, Yi-Guo; Wong, Henry N. C.; Peng, Xiao-Shui","Total Syntheses of (-)-Deoxoapodine, (-)-Kopsifoline D, and (-)-Beninine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02918","","","0.71073","MoKα","","0.0577","0.0479","","","0.1315","0.1404","","","","","","1.083","","","","has coordinates","246285","2020-10-21","18:00:00",""
"4037751","12.2439","0.0006","8.4591","0.0003","13.4174","0.0006","90","","113.527","0.005","90","","1274.15","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F N2 O2 -","- C15 H10 F N2 O2 -","- C60 H40 F4 N8 O8 -","4","1","","Putta, Venkata Pattabhi Rama Kishore; Vodnala, Nagaraju; Gujjarappa, Raghuram; Tyagi, Ujjawal; Garg, Aakriti; Gupta, Sreya; Pujar, Prasad P.; Malakar, Chandi Charan","Reagent-Controlled Divergent Synthesis of 2-Amino-1,3-Benzoxazines and 2-Amino-1,3-Benzothiazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02384","","x-ray","1.54184","CuKα","","0.0705","0.0572","","","0.1804","0.19","","","","","","1.173","","","","has coordinates","246286","2020-10-21","18:00:00",""
"4037752","7.6249","0.0004","13.6933","0.0009","14.7998","0.0012","113.811","0.007","96.971","0.006","102.713","0.005","1340.26","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F N2 O S -","- C15 H11 F N2 O S -","- C60 H44 F4 N8 O4 S4 -","4","2","","Putta, Venkata Pattabhi Rama Kishore; Vodnala, Nagaraju; Gujjarappa, Raghuram; Tyagi, Ujjawal; Garg, Aakriti; Gupta, Sreya; Pujar, Prasad P.; Malakar, Chandi Charan","Reagent-Controlled Divergent Synthesis of 2-Amino-1,3-Benzoxazines and 2-Amino-1,3-Benzothiazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02384","","x-ray","1.54184","CuKα","","0.0517","0.0408","","","0.1076","0.1182","","","","","","1.015","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037753","18.9348","0.0006","20.293","0.0006","5.3935","0.0002","90","","90","","90","","2072.42","0.12","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H18 Br N O3 S -","- C23 H18 Br N O3 S -","- C92 H72 Br4 N4 O12 S4 -","4","1","","Hu, Sha; Wang, Jiaqi; Huang, Guanxin; Zhu, Kejie; Chen, Fener","Organocatalytic Asymmetric Domino oxa-Michael-Mannich-[1,3]-Amino Rearrangement Reaction of N-Tosylsalicylimines to α,β-Unsaturated Aldehydes by Diarylprolinol Silyl Ethers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02939","","","1.34138","GaKα","","0.0198","0.0194","","","0.0521","0.0523","","","","","","1.079","","","","has coordinates","246316","2020-10-21","18:00:00",""
"4037754","6.5917","0.001","29.503","0.005","50.546","0.008","90","","90","","90","","9830","3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H150.16 N O35.58 -","- C96 H139 N O35.579 -","- C384 H556 N4 O142.316 -","4","1","","Fukaya, Keisuke; Urabe, Daisuke; Hiraizumi, Masato; Noguchi, Keiichi; Matsumoto, Takashi; Sakurai, Kaori","Computational and Experimental Analysis on the Conformational Preferences of Anticancer Saponin OSW-1","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02085","","","1.54187","CuKα","","0.0887","0.072","","","0.2001","0.2219","","","","","","1.068","","","","has coordinates,has disorder","246346","2020-10-21","18:00:00",""
"4037755","14.9756","0.0005","11.223","0.0004","16.6743","0.0006","90","","112.726","0.002","90","","2584.89","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl N O Se2 -","- C31 H20 Cl N O Se2 -","- C124 H80 Cl4 N4 O4 Se8 -","4","1","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(I) Catalyzed Synthesis of Functionalized Indolizinones from Substituted Pyridine Homologated Ynones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02853","","","0.71073","MoKα","","0.0288","0.0213","","","0.0505","0.0544","","","","","","1.052","","","","has coordinates","246347","2020-10-21","18:00:00",""
"4037756","9.6681","0.0004","10.7087","0.0004","21.7096","0.0008","90.444","0.002","93.759","0.002","102.371","0.002","2190.2","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O Se2 -","- C27 H19 N O Se2 -","- C108 H76 N4 O4 Se8 -","4","2","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(I) Catalyzed Synthesis of Functionalized Indolizinones from Substituted Pyridine Homologated Ynones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02853","","","0.71073","MoKα","","0.0292","0.0215","","","0.0498","0.0525","","","","","","1.026","","","","has coordinates","246348","2020-10-21","18:00:00",""
"4037757","13.9056","0.0011","21.112","0.0018","8.1751","0.0007","90","","104.28","0.008","90","","2325.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 B2 N2 O -","- C30 H22 B2 N2 O -","- C120 H88 B8 N8 O4 -","4","0.5","","Tian, Dawei; Li, Qian; Zhao, Yifan; Wang, Zijia; Li, Wenbin; Xia, Shuling; Xing, Siyang; Zhu, Bolin; Zhang, Jianying; Cui, Chunming","Synthesis of bis-BN-naphthalene-fused Oxepins and Their Photoluminescence Including White-Light Emission.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02594","","x-ray","0.71073","MoKα","","0.0745","0.0444","","","0.1013","0.1176","","","","","","1.006","","","","has coordinates","246440","2020-10-21","18:00:00",""
"4037758","15.0689","0.0007","8.5804","0.0004","23.393","0.0011","90","","93.598","0.004","90","","3018.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 B2 Br N2 O2 -","- C37 H27 B2 Br N2 O2 -","- C148 H108 B8 Br4 N8 O8 -","4","1","","Tian, Dawei; Li, Qian; Zhao, Yifan; Wang, Zijia; Li, Wenbin; Xia, Shuling; Xing, Siyang; Zhu, Bolin; Zhang, Jianying; Cui, Chunming","Synthesis of bis-BN-naphthalene-fused Oxepins and Their Photoluminescence Including White-Light Emission.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02594","","x-ray","1.54184","CuKα","","0.1076","0.0698","","","0.1819","0.2161","","","","","","0.999","","","","has coordinates","246441","2020-10-21","18:00:00",""
"4037759","13.7773","0.0003","22.8718","0.0006","7.7764","0.00018","90","","97.718","0.002","90","","2428.24","0.1","120.68","0.12","120.68","0.12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 B2 Cl2 N2 O -","- C30 H20 B2 Cl2 N2 O -","- C120 H80 B8 Cl8 N8 O4 -","4","0.5","","Tian, Dawei; Li, Qian; Zhao, Yifan; Wang, Zijia; Li, Wenbin; Xia, Shuling; Xing, Siyang; Zhu, Bolin; Zhang, Jianying; Cui, Chunming","Synthesis of bis-BN-naphthalene-fused Oxepins and Their Photoluminescence Including White-Light Emission.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02594","","x-ray","1.54184","CuKα","","0.032","0.0302","","","0.0777","0.0795","","","","","","1.061","","","","has coordinates","246442","2020-10-21","18:00:00",""
"4037760","9.5748","0.0002","14.0946","0.0003","15.6037","0.0003","90","","90","","90","","2105.77","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N4 O2 -","- C22 H32 N4 O2 -","- C88 H128 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0498","0.0473","","","0.115","0.1179","","","","","","1.067","","","","has coordinates,has disorder","246483","2020-10-21","18:00:00",""
"4037761","16.178","0.003","16.45","0.003","19.2","0.004","90","","90","","90","","5109.7","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N4 O2.5 -","- C25 H39 N4 O2.5 -","- C200 H312 N32 O20 -","8","2","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","0.71073","MoKα","","0.1505","0.1456","","","0.3638","0.3757","","","","","","1.639","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037762","9.9079","0.0003","14.3041","0.0005","16.03","0.0006","90","","90","","90","","2271.83","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N4 O2 -","- C23 H34 N4 O2 -","- C92 H136 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0675","0.0553","","","0.1537","0.1674","","","","","","1.052","","","","has coordinates","246485","2020-10-21","18:00:00",""
"4037763","9.6765","0.0003","17.4857","0.0006","18.9347","0.0008","90","","90","","90","","3203.8","0.2","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 N4 O2 -","- C30 H48 N4 O2 -","- C120 H192 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0851","0.0721","","","0.2129","0.2328","","","","","","1.042","","","","has coordinates","246486","2020-10-21","18:00:00",""
"4037764","6.7411","0.0014","8.5273","0.0017","9.4191","0.0019","83.71","0.03","88.23","0.03","76.21","0.03","522.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Br N3 S -","- C10 H6 Br N3 S -","- C20 H12 Br2 N6 S2 -","2","1","","Sun, Kai; Li, Yali; Feng, Ranran; Mu, Shiqiang; Wang, Xin; Zhang, Bing","C-H Imidation and Dual C-H Bond Aminobromination of Five-Membered Heterocycles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02941","","","0.71073","MoKα","","0.079","0.0508","","","0.163","0.1871","","","","","","1","","","","has coordinates","246487","2020-10-21","18:00:00",""
"4037765","10.128","0.001","15.5124","0.0019","8.2549","0.001","90","","101.942","0.011","90","","1268.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O3 S2 -","- C11 H14 O3 S2 -","- C44 H56 O12 S8 -","4","1","","He, Yuan; Lou, Jiang; Wu, Ping; Zhou, Yong-Gui; Yu, Zhengkun","Copper-Catalyzed Annulative Coupling of <i>S</i>,<i>S</i>-Disubstituted Enones with Diazo Compounds to Access Highly Functionalized Thiophene Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02982","","","0.71073","MoKα","","0.0607","0.0398","","","0.0941","0.1106","","","","","","1.037","","","","has coordinates","246488","2020-10-21","18:00:00",""
"4037766","10.0039","0.0012","7.6805","0.0009","23.592","0.003","90","","113.206","0.006","90","","1666","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O5 S -","- C16 H18 O5 S -","- C64 H72 O20 S4 -","4","1","","Zhang, Huan-Qing; Xi, Ji-Ming; Liao, Wei-Wei","Organocatalytic Isomerization/Allylic Alkylation of O-Acylated Hemithioacetals and Its Application in Tandem Sequence to Access 2,7-Dioxabicyclo[2.2.1]heptan-3-one derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03172","","","0.71073","MoKα","","0.0789","0.0656","","","0.2429","0.2586","","","","","","1.075","","","","has coordinates","246489","2020-10-21","18:00:00",""
"4037767","28.732","0.008","7.653","0.0018","18.497","0.005","90","","98.205","0.017","90","","4025.6","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O5 S -","- C22 H22 O5 S -","- C176 H176 O40 S8 -","8","1","","Zhang, Huan-Qing; Xi, Ji-Ming; Liao, Wei-Wei","Organocatalytic Isomerization/Allylic Alkylation of O-Acylated Hemithioacetals and Its Application in Tandem Sequence to Access 2,7-Dioxabicyclo[2.2.1]heptan-3-one derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03172","","","0.71073","MoKα","","0.0552","0.0399","","","0.1008","0.1091","","","","","","1.027","","","","has coordinates","246490","2020-10-21","18:00:00",""
"4037768","15.261","0.004","7.494","0.002","11.699","0.003","90","","108.2","0.004","90","","1271","0.6","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Cheng, Bin; Li, Yuntong; Li, Hui; Zhang, Xinping; Wang, Taimin; Li, Yun; Zhai, Hongbin","Switchable Ring-Contractive Extrusion Reactions of 2,5-Dihydro-1,4,5-thiadiazepine S-Oxides: Entries to Pyridazines or Pyrazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03003","","","0.71073","MoKα","","0.0497","0.0387","","","0.1025","0.1117","","","","","","1.046","","","","has coordinates","246491","2020-10-21","18:00:00",""
"4037769","13.8348","0.0008","14.2875","0.0008","15.0081","0.001","75.879","0.006","87.44","0.005","65.866","0.006","2620.4","0.3","293.65","0.1","293.65","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C88 H128 N16 O32 -","8","4","","Cheng, Bin; Li, Yuntong; Li, Hui; Zhang, Xinping; Wang, Taimin; Li, Yun; Zhai, Hongbin","Switchable Ring-Contractive Extrusion Reactions of 2,5-Dihydro-1,4,5-thiadiazepine S-Oxides: Entries to Pyridazines or Pyrazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03003","","","0.71073","MoKα","","0.1475","0.0815","","","0.1875","0.2496","","","","","","1.036","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037770","19.1406","0.0004","9.6406","0.0002","11.2647","0.0003","90","","105.952","0.003","90","","1998.6","0.08","123.15","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H7 B Cl2 F8 -","- C22 H7 B Cl2 F8 -","- C88 H28 B4 Cl8 F32 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1062","0.1084","","","","","","1.0411","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037771","10.6793","0.0002","11.2817","0.0002","16.7507","0.0004","86.433","0.002","84.296","0.002","88.897","0.002","2004.08","0.07","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 B F15 N2 O P -","- C41 H39 B F15 N2 O P -","- C82 H78 B2 F30 N4 O2 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","0.71073","MoKα","","0.0404","0.0336","","","0.0843","0.0879","","","","","","1.0298","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037772","10.534","0.0003","21.0599","0.0006","20.872","0.0006","90","","95.002","0.002","90","","4612.7","0.2","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H41 B Cl2 F15 N2 O3 P -","- C43 H41 B Cl2 F15 N2 O3 P -","- C172 H164 B4 Cl8 F60 N8 O12 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","0.71073","MoKα","","0.0516","0.0397","","","0.0906","0.0951","","","","","","1.0293","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037773","12.5964","0.0005","21.5652","0.0012","18.5448","0.0009","90","","95.214","0.004","90","","5016.7","0.4","298.15","","298.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 B F15 N2 O3 P -","- C42 H39 B F15 N2 O3 P -","- C168 H156 B4 F60 N8 O12 P4 -","4","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.1189","0.0676","","","0.1836","0.2225","","","","","","0.9904","","","","has coordinates,has disorder","246704","2020-10-21","18:00:00",""
"4037774","11.0128","0.0003","12.0642","0.0003","20.6781","0.0006","83.247","0.002","75.607","0.002","66.202","0.003","2434.35","0.13","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Al F15 N2 O3 P -","- C49 H47 Al F15 N2 O3 P -","- C98 H94 Al2 F30 N4 O6 P2 -","2","1","","Asada, Takahiro; Hoshimoto, Yoichi; Kawakita, Takahiro; Kinoshita, Takuya; Ogoshi, Sensuke","Axial Chirality around N‒P Bonds Induced by Complexation between E(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> (E = B, Al) and an N-Phosphine-Oxide-Substituted Imidazolinylidene: A Key Intermediate in the Catalytic Phosphinoylation of CO<sub>2</sub>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03210","","x-ray","1.54184","CuKα","","0.0604","0.0557","","","0.1509","0.1544","","","","","","1.0508","","","","has coordinates","246704","2020-10-21","18:00:00",""
"4037775","9.5211","0.0003","7.4342","0.0003","12.6425","0.0005","90","","103.291","0.001","90","","870.89","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H17 N O -","- C24 H17 N O -","- C48 H34 N2 O2 -","2","1","","Wang, Jie; Zhao, Zi-Biao; Zhao, Yanan; Luo, Gen; Zhu, Zhou-Hao; Luo, Yi; Zhou, Yong-Gui","Chiral and Regenerable NAD(P)H Models Enabled Biomimetic Asymmetric Reduction: Design, Synthesis, Scope and Mechanistic Studies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03054","","","1.54178","CuKα","","0.0404","0.04","","","0.1115","0.1128","","","","","","1.027","","","","has coordinates","246705","2020-10-21","18:00:00",""
"4037776","8.6813","0.0002","10.6444","0.0003","19.1425","0.0006","90","","90","","90","","1768.91","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Wang, Jie; Zhao, Zi-Biao; Zhao, Yanan; Luo, Gen; Zhu, Zhou-Hao; Luo, Yi; Zhou, Yong-Gui","Chiral and Regenerable NAD(P)H Models Enabled Biomimetic Asymmetric Reduction: Design, Synthesis, Scope and Mechanistic Studies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03054","","","1.54178","CuKα","","0.0427","0.0375","","","0.0948","0.1001","","","","","","1.076","","","","has coordinates","246706","2020-10-21","18:00:00",""
"4037777","11.143","0.0006","11.416","0.0007","15.0232","0.001","69.8144","0.0018","79.5318","0.0018","62.4336","0.0015","1589.51","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H26 O6 -","- C44 H26 O6 -","- C88 H52 O12 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.0965","0.0518","","","0.1222","0.1459","","","","","","1.044","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037778","10.7698","0.0007","11.5546","0.0009","14.496","0.001","100.952","0.002","97.886","0.002","117.45","0.002","1518.44","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H24 O6 -","- C43 H24 O6 -","- C86 H48 O12 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.0847","0.0528","","","0.1172","0.1318","","","","","","1.022","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037779","10.8951","0.0007","10.9386","0.0008","15.9614","0.0011","103.223","0.002","92.067","0.002","116.954","0.002","1629.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H26 O7 -","- C44 H26 O7 -","- C88 H52 O14 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.0974","0.0496","","","0.1092","0.1196","","","","","","1.048","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037780","11.4229","0.0018","13.954","0.002","14.475","0.002","62.71","0.004","70.598","0.004","87.255","0.004","1918.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H23 Br O6 -","- C43 H23 Br O6 -","- C86 H46 Br2 O12 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.122","0.0579","","","0.1519","0.1785","","","","","","1.031","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037781","11.974","0.003","14.879","0.004","15.811","0.004","76.21","0.006","84.283","0.006","66.517","0.005","2509.1","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H30 O7 -","- C53 H30 O7 -","- C106 H60 O14 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.2925","0.1801","","","0.4824","0.5167","","","","","","1.029","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037782","10.733","0.002","17.911","0.003","24.904","0.005","90","","103.969","0.008","90","","4645.9","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C53 H30 O8 -","- C53 H30 O8 -","- C212 H120 O32 -","4","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.1464","0.0675","","","0.1743","0.1973","","","","","","0.919","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037783","12.9504","0.0012","13.7825","0.0013","17.6013","0.0017","90","","96.011","0.003","90","","3124.4","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 O7 -","- C44 H26 O7 -","- C176 H104 O28 -","4","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.1052","0.0544","","","0.1096","0.1268","","","","","","1.021","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037784","12.2221","0.0019","12.352","0.002","16.801","0.003","82.105","0.005","72.856","0.005","81.232","0.005","2383.9","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H16 O5 -","- C34 H16 O5 -","- C136 H64 O20 -","4","2","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.2913","0.076","","","0.1717","0.251","","","","","","0.941","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037785","7.3339","0.0018","14.441","0.003","23.516","0.005","90","","90","","90","","2490.6","1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H15 Br O5 -","- C34 H15 Br O5 -","- C136 H60 Br4 O20 -","4","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.142","0.0639","","","0.1109","0.1321","","","","","","1.015","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037786","9.017","0.003","9.923","0.003","21.325","0.008","90","","90","","90","","1908.1","1.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Liu, Shi; Gellman, Samuel H.","Preparation of β2-Homologous Amino Acids Bearing Polar Side Chains via a Collective Synthesis Strategy","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02562","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0566","","","0.1548","0.1562","","","","","","1.077","","","","has coordinates","246708","2020-10-21","18:00:00",""
"4037787","12.383","0.002","12.964","0.003","56.938","0.011","90","","90","","90","","9140","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C448 H384 F48 N16 O48 S16 -","16","2","","Das, Eshani; Basak, Amit","Regioselective Synthesis of Benzo-fused Tetrahydroisoquinoline-based Biaryls through a Tandem One-pot Halogenation of p-Benzynes from Enediynes and Suzuki-Miyaura Coupling.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02874","","","0.71073","MoKα","","0.2018","0.1029","","","0.2018","0.2505","","","","","","1.056","","","","has coordinates","246709","2020-10-21","18:00:00",""
"4037788","22.03","0.002","36.178","0.004","30.846","0.003","90","","96.738","0.002","90","","24415","4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DGR-328A_200K","","","- C95.5 H58 B N6 O -","- C95.5 H58 B N6 O -","- C764 H464 B8 N48 O8 -","8","2","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.32","0.21","","","0.5116","0.5797","","","","","","1.401","","","","has coordinates","246710","2020-10-21","18:00:00",""
"4037789","11.4506","0.0002","21.5684","0.0005","22.2284","0.0005","90","","102.738","0.001","90","","5354.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","EC3-metoxiSubPz","","","- C64 H55 B N6 O7 -","- C64 H55 B N6 O7 -","- C256 H220 B4 N24 O28 -","4","1","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.1179","0.068","","","0.1989","0.2489","","","","","","1.063","","","","has coordinates","246710","2020-10-21","18:00:00",""
"4037790","11.5995","0.0003","17.9668","0.0004","37.0913","0.0008","90","","90","","90","","7730","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","345TMTSubPz","","","- C76 H79 B N6 O19 -","- C76 H79 B N6 O19 -","- C304 H316 B4 N24 O76 -","4","1","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.1338","0.0938","","","0.263","0.3011","","","","","","1.169","","","","has coordinates,has disorder","246710","2020-10-21","18:00:00",""
"4037791","25.0623","0.0009","25.2909","0.0008","19.4705","0.0007","90","","101.146","0.002","90","","12108.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","FenilvinilSubPz","","","- C140 H110 B2 N12 O2 -","- C137 H98 B2 N12 O2 -","- C548 H392 B8 N48 O8 -","4","0.5","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.2759","0.1651","","","0.3962","0.5012","","","","","","1.206","","","","has coordinates","246710","2020-10-21","18:00:00",""
"4037792","9.9788","0.0002","12.3213","0.0002","19.5547","0.0004","90","","90","","90","","2404.29","0.08","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0518","0.0473","","","0.1276","0.1339","","","","","","1.062","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037793","13.05917","0.00018","6.51103","0.00008","14.0462","0.0002","90","","94.0015","0.0014","90","","1191.42","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.0999","0.1025","","","","","","1.078","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037794","12.8813","0.0004","9.1977","0.0002","13.198","0.0003","90","","98.139","0.003","90","","1547.93","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 He0.25 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0558","0.0487","","","0.1281","0.1367","","","","","","1.035","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037795","8.3364","0.0006","8.483","0.0005","10.7484","0.0007","82.823","0.005","86.862","0.005","89.82","0.005","753.01","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C36 H30 N6 O8 -","2","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0645","0.0476","","","0.126","0.1439","","","","","","1.086","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037796","16.7548","0.00016","7.45702","0.00007","27.245","0.0002","90","","104.133","0.001","90","","3300.98","0.05","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.046","0.043","","","0.1119","0.1158","","","","","","1.035","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037797","8.77594","0.00011","10.37922","0.00011","16.1674","0.0002","90","","90","","90","","1472.65","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0421","0.0373","","","0.0954","0.0984","","","","","","1.051","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037798","10.7991","0.0005","11.9747","0.0005","19.5546","0.001","90","","90","","90","","2528.7","0.2","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0519","0.0468","","","0.1398","0.1485","","","","","","1.069","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037799","13.0647","0.0013","9.431","0.0012","24.873","0.003","90","","90","","90","","3064.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C144 H136 Cl8 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.152","0.1073","","","0.2708","0.3532","","","","","","1.137","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037800","7.6804","0.0003","9.7291","0.0004","16.249","0.0007","84.504","0.001","88.521","0.001","71.516","0.001","1146.24","0.08","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 O6 S2 -","- C22 H14 O6 S2 -","- C44 H28 O12 S4 -","2","1","","Patel, Dinesh G.; Mitchell, Travis B.; Myers, Shea Douglas; Carter, Dorothy A.; Novak, Frank A.","A Suzuki Approach to Quinone Based Diarylethene Photochromes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02632","","","0.71073","MoKα","","0.0347","0.031","","","0.089","0.0922","","","","","","1.046","","","","has coordinates","246783","2020-10-21","18:00:00",""
"4037801","24.614","0.007","11.524","0.003","7.454","0.002","90","","90","","90","","2114.3","1","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H14 O6 S2 -","- C22 H14 O6 S2 -","- C88 H56 O24 S8 -","4","1","","Patel, Dinesh G.; Mitchell, Travis B.; Myers, Shea Douglas; Carter, Dorothy A.; Novak, Frank A.","A Suzuki Approach to Quinone Based Diarylethene Photochromes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02632","","","0.41328","synchrotron","","0.0569","0.0475","","","0.1155","0.1217","","","","","","1.057","","","","has coordinates","246784","2020-10-21","18:00:00",""
"4037802","9.795","","9.845","","10.769","","88.79","","63.77","","60.84","","788.074","","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H53 N3 O5 -","- C28 H53 N3 O5 -","- C28 H53 N3 O5 -","1","1","","Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude","Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02916","","","0.71073","MoKα","","0.0841","0.057","","","0.1396","0.1569","","","","","","1.035","","","","has coordinates","246785","2020-10-21","18:00:00",""
"4037803","13.584","0.003","16.196","0.004","24.572","0.006","90","","90","","90","","5406","2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H91 N5 O9 -","- C48 H91 N5 O9 -","- C192 H364 N20 O36 -","4","1","","Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude","Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02916","","","0.71073","MoKα","","0.18","0.0655","","","0.139","0.1808","","","","","","1.015","","","","has coordinates","246785","2020-10-21","18:00:00",""
"4037804","9.7654","0.0002","17.1242","0.0003","17.5385","0.0003","90","","105.677","0.002","90","","2823.77","0.09","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 O8 Rh2 -","- C28 H28 N4 O8 Rh2 -","- C112 H112 N16 O32 Rh8 -","4","1","","Yang, Hsiang-Ming; Liu, Ming-Lun; Tu, Jing-Wen; Miura-Stempel, Emily; Campbell, Michael G.; Chuang, Gary Jing","Bimetallic Photoredox Catalysis: Visible Light-Promoted Aerobic Hydroxylation of Arylboronic Acids with a Dirhodium(II) Catalyst.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02777","","x-ray","0.71073","MoKα","","0.0444","0.0363","","","0.0721","0.075","","","","","","1.105","","","","has coordinates","246786","2020-10-21","18:00:00",""
"4037805","8.3171","0.0004","10.6442","0.0005","15.5771","0.0009","90","","90","","90","","1379.02","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Xie, Qinxia; Long, Hai-Jiao; Zhang, Qiong-Yin; Tang, Pei; Deng, Jun","Enantioselective Syntheses of 4H-3,1-Benzoxazines via Catalytic Asymmetric Chlorocyclization of o-Vinylanilides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02395","","","0.71073","MoKα","","0.0646","0.0477","","","0.0985","0.1109","","","","","","1.112","","","","has coordinates","246787","2020-10-21","18:00:00",""
"4037806","9.6432","0.0005","12.4568","0.0006","14.2518","0.0007","90","","90","","90","","1711.97","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O -","- C21 H16 Cl N O -","- C84 H64 Cl4 N4 O4 -","4","1","","Xie, Qinxia; Long, Hai-Jiao; Zhang, Qiong-Yin; Tang, Pei; Deng, Jun","Enantioselective Syntheses of 4H-3,1-Benzoxazines via Catalytic Asymmetric Chlorocyclization of o-Vinylanilides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02395","","","0.71073","MoKα","","0.0628","0.0438","","","0.0879","0.0989","","","","","","1.07","","","","has coordinates","246788","2020-10-21","18:00:00",""
"4037816","8.0145","0.0007","8.3149","0.0006","11.3067","0.0009","104.662","0.007","93.314","0.007","98.017","0.007","718.4","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F2 N4 S2 -","- C14 H12 F2 N4 S2 -","- C28 H24 F4 N8 S4 -","2","1","","Jiang, Wei; Zhuge, Juanping; Li, Jianxiao; Histand, Gary; Lin, Dongen","Direct Sulfenylation of the Purines C8-H Bond with Thiophenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03115","","x-ray","0.71073","MoKα","","0.0426","0.0358","","","0.0857","0.0907","","","","","","1.089","","","","has coordinates","246844","2020-10-21","18:00:00",""
"4037817","4.2319","0.0003","14.2453","0.0009","19.5737","0.0012","90","","90","","90","","1179.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F N2 O2 -","- C13 H13 F N2 O2 -","- C52 H52 F4 N8 O8 -","4","1","","Wang, Rongkang; Ding, Tianqi; Jiang, Lvqi; He, Wujuan; Yi, Wenbin","Fluoromethoxymethylation of Nitrogen Heterocyclic Compounds with Fluoromethyl Iodide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03193","","","0.71073","MoKα","","0.0384","0.0342","","","0.0886","0.0909","","","","","","1.055","","","","has coordinates","246845","2020-10-21","18:00:00",""
"4037818","6.5997","0.0003","7.7561","0.0004","21.4326","0.001","90","","90","","90","","1097.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Li, Dazhi; Liang, Ce; Jiang, Zaixing; Zhang, JunZheng; Zhuo, Wang-Tao; Zou, Fan-Yue; Wang, Wan-Peng; Gao, Guo-Lin; Song, Jinzhu","Visible-Light Promoted C2 Selective Arylation of Quinoline and Pyridine N-Oxides with Diaryliodonium Tetrafluoroborate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02933","","x-ray","0.71073","MoKα","","0.0686","0.0475","","","0.0963","0.1113","","","","","","1.05","","","","has coordinates","246887","2020-10-21","18:00:00",""
"4037819","10.392","0.002","13.142","0.004","11.663","0.003","90","","114.467","0.015","90","","1449.8","0.7","173","","172.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Phelan, Zaki K.; Weiss, Philip S.; He, Yiqun; Guan, Ziyang; Thamattoor, Dasan M.; Griffith, Daniel R.","Synthetic Entry to the 2-azatricyclo[4.3.2.04,9]undecane Ring System via Tropone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02921","","x-ray","0.71076","MoKα","","0.0988","0.0504","","","0.0955","0.1112","","","","","","1.041","","","","has coordinates","246922","2020-10-21","18:00:00",""
"4037820","13.5796","0.0003","9.3714","0.0002","15.1038","0.0004","90","","115.716","0.002","90","","1731.73","0.08","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 N2 O4 -","- C19 H13 F3 N2 O4 -","- C76 H52 F12 N8 O16 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.1183","0.0644","","","0.1667","0.2024","","","","","","1.019","","","","has coordinates","246923","2020-10-21","18:00:00",""
"4037821","12.8854","0.0002","16.3596","0.0003","7.595","0.0001","90","","91.524","0.001","90","","1600.46","0.04","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.0823","0.0492","","","0.122","0.1388","","","","","","1.044","","","","has coordinates","246924","2020-10-21","18:00:00",""
"4037822","10.4236","0.0007","9.8837","0.0006","21.6288","0.0014","90","","102.082","0.003","90","","2178.9","0.2","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl N2 O2 Ru -","- C24 H23 Cl N2 O2 Ru -","- C96 H92 Cl4 N8 O8 Ru4 -","4","1","","Kim, Kunyoung; Han, Sang Hoon; Jeoung, Daeun; Ghosh, Prithwish; Kim, Saegun; Kim, Seung Jun; Ku, Jin-Mo; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03228","","","0.71073","MoKα","","0.0559","0.0395","","","0.0886","0.096","","","","","","1.043","","","","has coordinates","246925","2020-10-21","18:00:00",""
"4037823","13.267","0.002","11.839","0.0019","16.549","0.003","90","","110.301","0.005","90","","2437.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl N4 O2 S -","- C28 H21 Cl N4 O2 S -","- C112 H84 Cl4 N16 O8 S4 -","4","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.0688","0.0501","","","0.1473","0.1747","","","","","","1.162","","","","has coordinates","246979","2020-10-21","18:00:00",""
"4037824","11.0736","0.0009","14.0744","0.0011","17.649","0.0013","90","","90","","90","","2750.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 Br N4 O2 S -","- C32 H21 Br N4 O2 S -","- C128 H84 Br4 N16 O8 S4 -","4","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.1132","0.0416","","","0.0828","0.0984","","","","","","0.835","","","","has coordinates","287943","2023-12-01","18:00:39",""
"4037825","8.314","0.002","10.671","0.003","11.777","0.003","94.821","0.006","91.645","0.006","106.762","0.005","995.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl N3 Rh -","- C22 H25 Cl N3 Rh -","- C44 H50 Cl2 N6 Rh2 -","2","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.0423","0.0367","","","0.097","0.1084","","","","","","0.872","","","","has coordinates","246981","2020-10-21","18:00:00",""
"4037826","23.621","0.006","10.647","0.003","16.385","0.004","90","","93.303","0.013","90","","4113.9","1.9","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl O4 -","- C24 H21 Cl O4 -","- C192 H168 Cl8 O32 -","8","1","","Zhang, Jianfang; Yang, Qin; Zhu, Yang; Wang, Jianbo; Deng, Guisheng","Synthesis and Rhodium(II)-Mediated Cascade Cyclopropanation/Rearrangement/Isomerization of Diazo 2,3,5-Trisubstituted Furans: the Construction of Pentasubstituted Aromatic Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03093","","","0.71073","MoKα","","0.0609","0.0483","","","0.1282","0.14","","","","","","1.035","","","","has coordinates,has disorder","246982","2020-10-21","18:00:00",""
"4037827","7.8165","0.0011","8.0726","0.0015","11.719","0.0015","97.711","0.013","101.614","0.012","116.715","0.016","625.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sahu, Archana Kumari; Unnava, Ramanjaneyulu; Shit, Sudip; Saikia, Anil K.","In(OTf)3 Catalyzed One-Pot Tandem Mannich and Conia-Ene Cyclization Reaction of N-Propargyl Amido Alcohols with 1,3-Dicarbonyl Compounds: An Approach to Construct the Tetrahydro-1H-pyrrolo[2,1-a]isoindolone-1,1-dicarboxylate and its Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02686","","","0.71073","MoKα","","0.0911","0.0567","","","0.1184","0.1467","","","","","","1.099","","","","has coordinates","246983","2020-10-21","18:00:00",""
"4037828","8.4181","0.0008","10.0355","0.0009","10.2655","0.001","90","","107.956","0.002","90","","824.99","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Sahu, Archana Kumari; Unnava, Ramanjaneyulu; Shit, Sudip; Saikia, Anil K.","In(OTf)3 Catalyzed One-Pot Tandem Mannich and Conia-Ene Cyclization Reaction of N-Propargyl Amido Alcohols with 1,3-Dicarbonyl Compounds: An Approach to Construct the Tetrahydro-1H-pyrrolo[2,1-a]isoindolone-1,1-dicarboxylate and its Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02686","","","0.71073","MoKα","","0.0404","0.0369","","","0.0911","0.0941","","","","","","1.073","","","","has coordinates","246984","2020-10-21","18:00:00",""
"4037829","7.6568","0.0017","15.768","0.003","22.082","0.005","90","","96.89","0.004","90","","2646.8","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 N2 O2 -","- C31 H26 Cl2 N2 O2 -","- C124 H104 Cl8 N8 O8 -","4","1","","Urushibara, Ko; Yamada, Tatsunori; Yokoyama, Akihiro; Mori, Hirotoshi; Masu, Hyuma; Azumaya, Isao; Kagechika, Hiroyuki; Yokozawa, Tsutomu; Tanatani, Aya","Development of Helical Aromatic Amide Foldamers with a Diphenylacetylene Backbone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02758","","","0.71073","MoKα","","0.1725","0.0775","","","0.1851","0.2316","","","","","","0.987","","","","has coordinates","246985","2020-10-21","18:00:00",""
"4037830","7.7894","0.0013","9.2514","0.0015","23.546","0.004","79.555","0.003","88.839","0.003","69.208","0.002","1558.2","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","KU-2-127","","","- C40 H30 N2 O4 -","- C40 H30 N2 O4 -","- C80 H60 N4 O8 -","2","1","","Urushibara, Ko; Yamada, Tatsunori; Yokoyama, Akihiro; Mori, Hirotoshi; Masu, Hyuma; Azumaya, Isao; Kagechika, Hiroyuki; Yokozawa, Tsutomu; Tanatani, Aya","Development of Helical Aromatic Amide Foldamers with a Diphenylacetylene Backbone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02758","","","0.71073","MoKα","","0.0931","0.0504","","","0.1153","0.1317","","","","","","1.022","","","","has coordinates","246986","2020-10-21","18:00:00",""
"4037831","8.9602","0.0018","16.318","0.003","12.487","0.003","90","","103.42","0.03","90","","1775.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F2 N -","- C23 H21 F2 N -","- C92 H84 F8 N4 -","4","1","","Zhao, Yu-Quan; Tian, Jun-Jie; Ai, Chong-Ren; Wang, Xiao-Chen","Diiodomethane-Mediated Generation of <i>N</i>-Aryliminium Ions and Subsequent [4 + 2] Cycloadditions with Olefins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03148","","","0.71073","MoKα","","0.0583","0.0481","","","0.1359","0.1465","","","","","","1.037","","","","has coordinates","247159","2020-10-21","18:00:00",""
"4037832","8.3094","0.0003","10.6542","0.0003","16.6643","0.0003","102.728","0.0019","90.133","0.002","102.615","0.003","1402.33","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","N-Phenyl-2-(pyridin-2-yl)benzamide","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","2","","McKay, Alasdair I.; Altalhi, Weam A. O.; McInnes, Lachlan E.; Czyz, Milena L.; Canty, Allan J.; Donnelly, Paul S.; O’Hair, Richard A. J.","Identification of the Side Products That Diminish the Yields of the Monoamidated Product in Metal-Catalyzed C‒H Amidation of 2-Phenylpyridine with Arylisocyanates","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02831","","x-ray","1.54184","CuKα","","0.0539","0.0463","","","0.1249","0.1303","","","","","","1.071","","","","has coordinates","247160","2020-10-21","18:00:00",""
"4037833","7.7093","0.0005","9.5441","0.0005","12.4195","0.0004","94.235","0.003","93.075","0.004","113.306","0.005","833.52","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","1,3,5-tri(4-fluorophenyl)biuret","","","- C20 H14 F3 N3 O2 -","- C20 H14 F3 N3 O2 -","- C40 H28 F6 N6 O4 -","2","1","","McKay, Alasdair I.; Altalhi, Weam A. O.; McInnes, Lachlan E.; Czyz, Milena L.; Canty, Allan J.; Donnelly, Paul S.; O’Hair, Richard A. J.","Identification of the Side Products That Diminish the Yields of the Monoamidated Product in Metal-Catalyzed C‒H Amidation of 2-Phenylpyridine with Arylisocyanates","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02831","","x-ray","1.54184","CuKα","","0.0501","0.0465","","","0.1284","0.1308","","","","","","1.113","","","","has coordinates","247160","2020-10-21","18:00:00",""
"4037834","11.447","0.0002","6.2048","0.0002","20.0037","0.0005","90","","94.868","0.002","90","","1415.66","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H13 N O -","- C21 H13 N O -","- C84 H52 N4 O4 -","4","2","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0718","0.0547","","","0.0991","0.1052","","","","","","1.067","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037835","10.7953","0.0004","5.0922","0.0002","25.8426","0.0009","90","","94.918","0.003","90","","1415.38","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O -","- C21 H13 N O -","- C84 H52 N4 O4 -","4","1","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0808","0.0634","","","0.1404","0.1508","","","","","","1.098","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037836","5.6018","0.0002","10.0673","0.0005","16.0613","0.0008","106.886","0.004","91.313","0.004","99.947","0.004","851.12","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.1071","0.0953","","","0.165","0.1697","","","","","","1.314","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037837","19.9231","0.0003","10.1765","0.0002","15.8477","0.0004","90","","93.433","0.002","90","","3207.31","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28.67 Br2 N2 O7.33 Pd -","- C34 H28.6666 Br2 N2 O7.3333 Pd -","- C136 H114.666 Br8 N8 O29.3332 Pd4 -","4","0.5","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0512","0.0413","","","0.0924","0.0963","","","","","","1.127","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037838","18.3076","0.0003","7.827","0.0001","22.6989","0.0004","90","","90","","90","","3252.61","0.09","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H28 N2 O6 Pd -","- C34 H28 N2 O6 Pd -","- C136 H112 N8 O24 Pd4 -","4","0.5","","Shanahan, Rachel M.; Hickey, Aobha; Bateman, Lorraine M.; Light, Mark E.; McGlacken, Gerard P.","One-Pot Cross-Coupling/C‒H Functionalization Reactions: Quinoline as a Substrate and Ligand through N‒Pd Interaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03321","","x-ray","0.71073","MoKα","","0.0586","0.0561","","","0.0984","0.0996","","","","","","1.251","","","","has coordinates","247161","2020-10-21","18:00:00",""
"4037839","12.4962","0.0006","12.937","0.0005","13.6763","0.0006","86.435","0.004","77.596","0.004","77.317","0.004","2106.4","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O6 -","- C19 H16 Br N O6 -","- C76 H64 Br4 N4 O24 -","4","2","","Zhang, Minli; Li, Tong; Cui, Chaoxing; Song, Xixi; Chang, Junbiao","Stereoselective Sequential Spirocyclopropanation/Cloke-Wilson Rearrangement Reactions for Synthesis of <i>trans</i>-β,γ-Disubstituted γ-Butyrolactones Using Alkylidene Meldrum's Acid and Benzyl Halides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02978","","x-ray","1.54184","CuKα","","0.0773","0.0593","","","0.1621","0.18","","","","","","1.054","","","","has coordinates,has disorder","247162","2020-10-21","18:00:00",""
"4037840","7.8723","0.0007","11.7079","0.0008","12.5625","0.0009","96.684","0.006","91.881","0.007","101.786","0.007","1123.84","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O4 S2 -","- C26 H22 O4 S2 -","- C52 H44 O8 S4 -","2","1","","Tang, Ling; Yang, Qin; Zhang, Jianfang; Deng, Guisheng","Regioselective Reversal Cyclization To Access either Eight-Membered Sulfur-Containing Heterocycle-Fused γ-Pyrones or 2-(1,4-Dithianyl)-4-pyrones from the Same Precursors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03303","","x-ray","1.54184","CuKα","","0.0822","0.055","","","0.1658","0.1788","","","","","","1.151","","","","has coordinates","247163","2020-10-21","18:00:00",""
"4037841","6.3222","0.0002","13.4523","0.0004","16.5443","0.0004","102.351","0.003","100.885","0.003","94.385","0.003","1339.72","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 O4 S3 -","- C24 H19 O4 S3 -","- C48 H38 O8 S6 -","2","1","","Tang, Ling; Yang, Qin; Zhang, Jianfang; Deng, Guisheng","Regioselective Reversal Cyclization To Access either Eight-Membered Sulfur-Containing Heterocycle-Fused γ-Pyrones or 2-(1,4-Dithianyl)-4-pyrones from the Same Precursors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03303","","x-ray","1.54184","CuKα","","0.0923","0.0811","","","0.2376","0.249","","","","","","1.061","","","","has coordinates","247164","2020-10-21","18:00:00",""
"4037842","6.0928","0.0003","6.9436","0.0004","21.7386","0.0008","90","","90","","90","","919.67","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H7 Br N4 -","- C8 H7 Br N4 -","- C32 H28 Br4 N16 -","4","1","","Rajamanickam, Suresh; Sah, Chitranjan; Mir, Bilal Ahmad; Ghosh, Subhendu; Sethi, Garima; Yadav, Vinita; Venkataramani, Sugumar; Patel, Bhisma K.","Bu<sub>4</sub>NI-Catalyzed, Radical-Induced Regioselective <i>N</i>-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02875","","","0.71073","MoKα","","0.0576","0.0418","","","0.0883","0.0984","","","","","","1.001","","","","has coordinates","247165","2020-10-21","18:00:00",""
"4037843","11.253","0.003","11.145","0.003","10.015","0.002","90","","96.67","0.005","90","","1247.5","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Rajamanickam, Suresh; Sah, Chitranjan; Mir, Bilal Ahmad; Ghosh, Subhendu; Sethi, Garima; Yadav, Vinita; Venkataramani, Sugumar; Patel, Bhisma K.","Bu<sub>4</sub>NI-Catalyzed, Radical-Induced Regioselective <i>N</i>-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02875","","","0.71073","MoKα","","0.047","0.0376","","","0.0782","0.0798","","","","","","1.997","","","","has coordinates","247166","2020-10-21","18:00:00",""
"4037844","10.1498","0.0015","11.446","0.0016","12.8648","0.0018","110.09","0.002","102.591","0.002","95.859","0.002","1344.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","12i","","- C27 H29 Cl4 N3 O3 -","- C27 H29 Cl4 N3 O3 -","- C54 H58 Cl8 N6 O6 -","2","1","","Pertejo, Pablo; Carreira-Barral, Israel; Peña-Calleja, Pablo; Quesada, Roberto; García-Valverde, María","Post-Ugi Transformations for the Access to Pyrrolobenzodiazepine Scaffolds with Different Degrees of Unsaturation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02995","","","0.71073","MoKα","","0.0687","0.0466","","","0.1105","0.1181","","","","","","0.954","","","","has coordinates","247167","2020-10-21","18:00:00",""
"4037845","9.9494","0.0007","9.2406","0.0006","21.1428","0.0013","90","","90","","90","","1943.8","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H21 B N2 O -","- C22 H21 B N2 O -","- C88 H84 B4 N8 O4 -","4","1","","Mao, Lujia; Li, Chunlei; Xiang, Libo; Fu, Dejun; Ma, Wangyang; Ye, Qing","Synthesis of Allenyl-Bdan via the Cu(I)-Catalyzed Borylation of Propargylic Alcohols with the Unsymmetric Diboron Reagent (Bpin-Bdan).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03319","","","0.71073","MoKα","","0.0478","0.0374","","","0.0894","0.0966","","","","","","1.083","","","","has coordinates","247168","2020-10-21","18:00:00",""
"4037846","14.7636","0.0014","5.5546","0.0005","22.076","0.002","90","","101.332","0.003","90","","1775.1","0.3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B Cl N2 -","- C19 H22 B Cl N2 -","- C76 H88 B4 Cl4 N8 -","4","1","","Mao, Lujia; Li, Chunlei; Xiang, Libo; Fu, Dejun; Ma, Wangyang; Ye, Qing","Synthesis of Allenyl-Bdan via the Cu(I)-Catalyzed Borylation of Propargylic Alcohols with the Unsymmetric Diboron Reagent (Bpin-Bdan).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03319","","","0.71073","MoKα","","0.0556","0.0415","","","0.1046","0.1177","","","","","","1.072","","","","has coordinates","247168","2020-10-21","18:00:00",""
"4037847","9.8831","0.0013","10.2552","0.0013","10.8546","0.0013","102.129","0.008","99.415","0.009","118.029","0.008","904.5","0.2","111","2","111.08","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 F3 N O3 -","- C22 H16 F3 N O3 -","- C44 H32 F6 N2 O6 -","2","1","","Zhang, Lei; Duan, Jindian; Xu, Gaochen; Ding, Xiaojuan; Mao, Yiyang; Rong, Binsen; Zhu, Ning; Fang, Zheng; Li, Zhenjiang; Guo, Kai","Copper-Catalyzed N-O Cleavage of α,β-Unsaturated Ketoxime Acetates toward Structurally Diverse Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03238","","","1.34139","GaKα","","0.1004","0.0759","","","0.2165","0.2401","","","","","","1.102","","","","has coordinates","247169","2020-10-21","18:00:00",""
"4037848","11.9806","0.001","28.9942","0.0017","7.2032","0.0007","90","","106.024","0.01","90","","2404.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","2","","You, Changming; Zhang, Zhenming; Tu, Yongliang; Tang, Hong; Wang, Yuanfeng; Long, Da; Zhao, Junfeng","Transition-Metal-Free Approach to Polysubstituted Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03006","","x-ray","0.71073","MoKα","","0.0921","0.0629","","","0.1485","0.1639","","","","","","1.109","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037849","11.0843","0.0003","9.0065","0.0002","18.6072","0.0005","90","","92.364","0.001","90","","1855.99","0.08","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N O P -","- C24 H18 N O P -","- C96 H72 N4 O4 P4 -","4","1","","Ye, Wenqiang; Li, Xiaobin; Ding, Bingbing; Wang, Chenchen; Shrestha, Mohini; Ma, Xiang; Chen, Yifeng; Tian, He","Facile Synthesis of Nitrogen-Containing Six-Membered Benzofuzed Phenophosphazinine Oxides and Studies of the Photophysical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02847","","","0.71073","MoKα","","0.0396","0.0338","","","0.0841","0.0886","","","","","","1.051","","","","has coordinates","247229","2020-10-21","18:00:00",""
"4037850","9.4685","0.0002","18.8225","0.0004","21.6751","0.0004","90","","94.809","0.001","90","","3849.36","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 B N P -","- C24 H21 B N P -","- C192 H168 B8 N8 P8 -","8","2","","Ye, Wenqiang; Li, Xiaobin; Ding, Bingbing; Wang, Chenchen; Shrestha, Mohini; Ma, Xiang; Chen, Yifeng; Tian, He","Facile Synthesis of Nitrogen-Containing Six-Membered Benzofuzed Phenophosphazinine Oxides and Studies of the Photophysical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02847","","","0.71073","MoKα","","0.0654","0.0456","","","0.1055","0.1208","","","","","","1.021","","","","has coordinates","247230","2020-10-21","18:00:00",""
"4037851","19.065","0.0005","8.0448","0.0002","21.6927","0.0005","90","","105.039","0.003","90","","3213.14","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 O11 -","- C34 H28 N6 O11 -","- C136 H112 N24 O44 -","4","0.5","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","0.71073","MoKα","","0.0505","0.0417","","","0.0999","0.1068","","","","","","1.053","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037852","6.7593","0.0002","13.8328","0.0003","12.7123","0.0003","90","","92.793","0.002","90","","1187.19","0.05","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0508","0.0494","","","0.1361","0.137","","","","","","1.103","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037853","13.35","0.001","8.1964","0.0005","11.5379","0.0007","90","","109.66","0.007","90","","1188.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0646","0.046","","","0.1127","0.1267","","","","","","1.05","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037854","5.29","0.00009","16.4483","0.0002","12.6312","0.0002","90","","93.837","0.002","90","","1096.6","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C40 H36 N4 O12 S4 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0465","0.0422","","","0.1305","0.1363","","","","","","1.101","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037855","9.6285","0.0002","11.3962","0.0002","9.9019","0.0003","90","","115.8","0.003","90","","978.21","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","","Bracken, Cormac; Baumann, Marcus","Development of a Continuous Flow Photoisomerization Reaction Converting Isoxazoles into Diverse Oxazole Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03399","","","1.54184","CuKα","","0.0441","0.0417","","","0.1249","0.1295","","","","","","1.084","","","","has coordinates","247231","2020-10-21","18:00:00",""
"4037856","25.037","0.005","8.0888","0.0015","19.202","0.003","90","","118.618","0.005","90","","3413.7","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 O2 -","- C24 H17 O2 -","- C192 H136 O16 -","8","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0536","0.043","","","0.1219","0.1327","","","","","","1.038","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037857","16.3545","0.0007","11.9821","0.0005","7.3657","0.0003","90","","100.21","0.001","90","","1420.54","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0284","0.0231","","","0.0592","0.0632","","","","","","1.077","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037858","8.128","0.0004","10.6123","0.0006","14.7375","0.0008","84.715","0.002","79.253","0.002","75.963","0.002","1210.15","0.11","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 O6 -","- C32 H22 O6 -","- C64 H44 O12 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0577","0.0438","","","0.0998","0.1079","","","","","","1.041","","","","has coordinates,has disorder","247232","2020-10-21","18:00:00",""
"4037859","7.9733","0.001","10.7024","0.0014","14.7112","0.0019","84.455","0.007","80.196","0.006","74.507","0.006","1190.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 O6 S -","- C30 H20 O6 S -","- C60 H40 O12 S2 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0953","0.0715","","","0.1944","0.2046","","","","","","1.115","","","","has coordinates,has disorder","247232","2020-10-21","18:00:00",""
"4037860","7.9744","0.0003","20.0084","0.0006","7.1794","0.0002","90","","103.779","0.002","90","","1112.54","0.06","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F2 O2 -","- C14 H10 F2 O2 -","- C56 H40 F8 O8 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei","Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03298","","","0.71073","MoKα","","0.0356","0.0323","","","0.08","0.0822","","","","","","1.052","","","","has coordinates","247232","2020-10-21","18:00:00",""
"4037861","11.4374","0.0005","25.6538","0.0009","7.4152","0.0003","90","","90","","90","","2175.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C48 H104 Cl8 F24 N8 O24 -","8","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.109","0.0623","","","0.1733","0.1978","","","","","","0.993","","","","has coordinates","247268","2020-10-21","18:00:00",""
"4037862","12.5754","0.0018","7.6962","0.0009","10.3772","0.0015","90","","99.556","0.014","90","","990.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N O2 -","- C6 H11 Cl F3 N O2 -","- C24 H44 Cl4 F12 N4 O8 -","4","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.126","0.084","","","0.224","0.2528","","","","","","1.013","","","","has coordinates","247269","2020-10-21","18:00:00",""
"4037863","25.7809","0.0017","6.5384","0.0007","25.2124","0.0018","90","","90","","90","","4249.9","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H13 Cl F3 N O3 -","- C6 H13 Cl F3 N O3 -","- C96 H208 Cl16 F48 N16 O48 -","16","2","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.0972","0.046","","","0.1097","0.1272","","","","","","0.922","","","","has coordinates","247270","2020-10-21","18:00:00",""
"4037864","11.8335","0.0011","9.7817","0.0006","8.4036","0.0007","90","","109.386","0.009","90","","917.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N O2 -","- C6 H11 Cl F3 N O2 -","- C24 H44 Cl4 F12 N4 O8 -","4","1","","Trofymchuk, Serhii; Bugera, Maksym; Klipkov, Anton A.; Razhyk, Bohdan; Semenov, Sergey; Tarasenko, Karen; Starova, Viktoriia S.; Zaporozhets, Olga A.; Tananaiko, Oksana Y.; Alekseenko, Anatoliy N.; Pustovit, Yurii; Kiriakov, Oleksandr; Gerus, Igor I.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Deoxofluorination of (Hetero)aromatic Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03011","","","0.71073","MoKα","","0.0569","0.0467","","","0.1265","0.1313","","","","","","1.041","","","","has coordinates","247271","2020-10-21","18:00:00",""
"4037865","5.731","0.0003","9.8325","0.0006","21.1541","0.0011","90","","97.167","0.004","90","","1182.72","0.11","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O Se -","- C10 H14 N2 O Se -","- C40 H56 N8 O4 Se4 -","4","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.0825","0.0646","","","0.1859","0.217","","","","","","1.143","","","","has coordinates","247319","2020-10-21","18:00:00",""
"4037866","8.4289","0.0003","8.5315","0.0003","21.5452","0.0008","84.363","0.004","82.348","0.003","64.495","0.003","1384.45","0.09","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 I N2 O4 Se -","- C32 H23 I N2 O4 Se -","- C64 H46 I2 N4 O8 Se2 -","2","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1098","0.0683","","","0.2008","0.2205","","","","","","1.006","","","","has coordinates","247320","2020-10-21","18:00:00",""
"4037867","5.2768","0.0006","20.0266","0.0009","15.2838","0.0007","90","","92.826","0.003","90","","1613.2","0.2","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O Se -","- C16 H17 F N2 O Se -","- C64 H68 F4 N8 O4 Se4 -","4","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1886","0.073","","","0.1576","0.2099","","","","","","0.801","","","","has coordinates","247321","2020-10-21","18:00:00",""
"4037868","6.8326","0.0003","11.2722","0.0004","17.3205","0.0008","79.43","0.003","82.686","0.004","73.523","0.003","1253.49","0.09","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 F3 N3 O3 Se -","- C27 H20 F3 N3 O3 Se -","- C54 H40 F6 N6 O6 Se2 -","2","1","","Vyhivskyi, Oleksandr; Laikov, Dimitri N.; Finko, Alexander V.; Skvortsov, Dmitry A.; Zhirkina, Irina V.; Tafeenko, Victor Aleksandrovich; Zyk, Nikolay Vasil'evich; Majouga, Alexander G.; Beloglazkina, Elena K.","Ullmann-type C-Se cross-coupling in the hydantoin family: Synthesis, mechanistic studies, and tests of biological activity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03045","","","1.54186","CuKα","","0.1179","0.039","","","0.0721","0.0864","","","","","","0.736","","","","has coordinates,has disorder","247322","2020-10-21","18:00:00",""
"4037869","15.7459","0.0008","10.4802","0.0004","20.5472","0.0007","90","","105.505","0.004","90","","3267.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Br Cl N4 O5 -","- C37 H30 Br Cl N4 O5 -","- C148 H120 Br4 Cl4 N16 O20 -","4","1","","Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Tian, Fang; Wang, Li-Xin","Base Catalyzed Abnormal [3 + 2]-Cycloaddition between Isatin N,N'-Cyclic Azomethine Imine 1,3-Dipole and 3-Methyleneoxindole for the One-step Construction of Tetracyclic Bispirooxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03050","","x-ray","1.54184","CuKα","","0.0573","0.0414","","","0.0992","0.1096","","","","","","1.011","","","","has coordinates","247323","2020-10-21","18:00:00",""
"4037870","9.8347","0.0005","22.0058","0.0012","10.1652","0.0006","90","","94.998","0.002","90","","2191.6","0.2","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 Br F3 N O3 -","- C25 H17 Br F3 N O3 -","- C100 H68 Br4 F12 N4 O12 -","4","2","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","","0.71073","MoKα","","0.0329","0.0293","","","0.0685","0.0701","","","","","","1.013","","","","has coordinates","247324","2020-10-21","18:00:00",""
"4037871","10.6343","0.0005","11.7382","0.0005","20.6645","0.001","90","","90","","90","","2579.5","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br F3 N2 O3 -","- C29 H26 Br F3 N2 O3 -","- C116 H104 Br4 F12 N8 O12 -","4","1","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","x-ray","0.71073","MoKα","","0.0375","0.0292","","","0.0636","0.0688","","","","","","1.064","","","","has coordinates","247325","2020-10-21","18:00:00",""
"4037872","11.4939","0.0005","25.4522","0.001","19.9319","0.0009","90","","95.614","0.004","90","","5803","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl N3 O4 S -","- C31 H34 Cl N3 O4 S -","- C248 H272 Cl8 N24 O32 S8 -","8","2","","Liang, Guoduan; Pang, Yadong; Ji, Yanjun; Zhuang, Kaitong; Li, Linji; Xie, Fukai; Yang, Lu; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang","Diastereoselective Syntheses of Spiro[indoline-3,4'-pyridin]-2-yl)carbamates via AgOTf/Ph3P-Catalyzed Tandem Cyclizations of Tryptamine-Ynesulfonamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02839","","x-ray","0.71073","MoKα","","0.0626","0.0451","","","0.0972","0.1069","","","","","","1.038","","","","has coordinates","247326","2020-10-21","18:00:00",""
"4037873","4.2243","0.0008","10.511","0.002","34.796","0.007","90","","93.12","0.03","90","","1542.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Zhang, Jin; Wang, Xiaogang; Chen, Di; Kang, Yifan; Ma, Yangmin; Szostak, Michal","Synthesis of C6-Substituted Isoquinolino[1,2-b]quinazolines via Rh(III)-Catalyzed C-H Annulation with Sulfoxonium Ylides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03065","","","0.71073","MoKα","","0.2948","0.1001","","","0.1626","0.2176","","","","","","0.982","","","","has coordinates","247388","2020-10-21","18:00:00",""
"4037874","27.769","0.002","5.4256","0.0004","11.013","0.0008","90","","109.947","0.003","90","","1559.7","0.2","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H15 F O -","- C21 H15 F O -","- C84 H60 F4 O4 -","4","1","","Gu, Chang-Xue; Chen, Wen-Wen; Xu, Ming-Hua","Pd(II)-Catalyzed Asymmetric Annulation towards the Synthesis of 2,3-Disubstituted Chiral Indenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02958","","","1.54178","CuKα","","0.0336","0.0326","","","0.0883","0.0896","","","","","","1.028","","","","has coordinates","247389","2020-10-21","18:00:00",""
"4037875","11.8432","0.0011","7.9837","0.0009","18.2139","0.0018","90","","103.536","0.01","90","","1674.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 Se -","- C17 H20 N2 O2 Se -","- C68 H80 N8 O8 Se4 -","4","1","","Liu, Hua-Wei; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun","Base-promoted Multicomponent Reactions: A Synthesis of 2-Amino-1,3-Selenazole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03234","","","0.71073","MoKα","","0.1402","0.0605","","","0.1183","0.1574","","","","","","1.015","","","","has coordinates","247390","2020-10-21","18:00:00",""
"4037876","15.8429","0.0016","15.1141","0.0015","9.6013","0.001","90","","95.301","0.003","90","","2289.2","0.4","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C52 H74 O6 -","- C51 H71 O6 -","- C102 H142 O12 -","2","1","","Cornelissen, Milo D.; Pilon, Simone; Steemers, Luuk; Wanner, Martin J.; Frölke, Steven; Zuidinga, Ed; Jorgensen, Steen Ingemann; van der Vlugt, Jarl Ivar; van Maarseveen, Jan H.","A covalent and modular synthesis of homo and hetero [n]rotaxanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03030","","","0.71073","MoKα","","0.2594","0.1643","","","0.2888","0.3261","","","","","","1.639","","","","has coordinates","247391","2020-10-21","18:00:00",""
"4037877","8.7409","0.0019","12.748","0.003","13.057","0.003","105.542","0.006","94.855","0.006","96.174","0.006","1383.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 N3 O3 -","- C31 H38 N3 O3 -","- C62 H76 N6 O6 -","2","1","","Cornelissen, Milo D.; Pilon, Simone; Steemers, Luuk; Wanner, Martin J.; Frölke, Steven; Zuidinga, Ed; Jorgensen, Steen Ingemann; van der Vlugt, Jarl Ivar; van Maarseveen, Jan H.","A covalent and modular synthesis of homo and hetero [n]rotaxanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03030","","","0.71073","MoKα","","0.1835","0.1547","","","0.3741","0.4082","","","","","","3.084","","","","has coordinates","247392","2020-10-21","18:00:00",""
"4037878","9.6913","0.0003","16.8368","0.0003","11.7014","0.0003","90","","108.615","0.003","90","","1809.44","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0773","0.0476","","","0.1099","0.1265","","","","","","1.04","","","","has coordinates","247856","2020-10-21","18:00:00",""
"4037879","14.541","0.005","9.003","0.003","15.044","0.005","90","","99.262","0.006","90","","1943.8","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","","0.71073","MoKα","","0.0598","0.046","","","0.1255","0.1356","","","","","","1.04","","","","has coordinates","247857","2020-10-21","18:00:00",""
"4037880","10.6946","0.0004","9.1589","0.0004","18.4833","0.0009","90","","99.212","0.004","90","","1787.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0996","0.061","","","0.1444","0.1756","","","","","","1.032","","","","has coordinates","247858","2020-10-21","18:00:00",""
"4037881","8.35","0.004","11.844","0.005","27.87","0.013","90","","92.594","0.007","90","","2753","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl N2 O4 S2 -","- C28 H27 Cl N2 O4 S2 -","- C112 H108 Cl4 N8 O16 S8 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","","0.71073","MoKα","","0.0828","0.0667","","","0.1944","0.2095","","","","","","1.036","","","","has coordinates","247859","2020-10-21","18:00:00",""
"4037882","9.9394","0.0009","11.9322","0.001","13.6398","0.0006","70.892","0.006","77.159","0.007","86.585","0.007","1490.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O5 S2 -","- C33 H32 N2 O5 S2 -","- C66 H64 N4 O10 S4 -","2","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.1327","0.0634","","","0.1207","0.1688","","","","","","1.039","","","","has coordinates","247860","2020-10-21","18:00:00",""
"4037883","13.9899","0.0005","8.3035","0.0003","15.1181","0.0006","90","","104.696","0.004","90","","1698.74","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","1","","Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang","Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02953","","x-ray","0.71073","MoKα","","0.0853","0.0512","","","0.1142","0.1335","","","","","","1.061","","","","has coordinates","247861","2020-10-21","18:00:00",""
"4037884","12.1509","0.0003","23.4957","0.0005","20.3383","0.0005","90","","106.84","0.001","90","","5557.5","0.2","170","2","169.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 Cl2 F4 N4 Pd2 -","- C56 H78 Cl2 F4 N4 Pd2 -","- C224 H312 Cl8 F16 N16 Pd8 -","4","1","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","1.34139","GaKα","","0.0829","0.0774","","","0.2103","0.2178","","","","","","1.044","","","","has coordinates","247862","2020-10-21","18:00:00",""
"4037885","16.8572","0.0006","12.4408","0.0004","34.1009","0.0013","90","","103.498","0.001","90","","6954","0.4","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 F2 N2 O2 Pd -","- C33 H48 F2 N2 O2 Pd -","- C264 H384 F16 N16 O16 Pd8 -","8","2","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","0.71073","MoKα","","0.0465","0.0342","","","0.0858","0.0949","","","","","","1.041","","","","has coordinates,has disorder","247863","2020-10-21","18:00:00",""
"4037886","12.505","0.0006","17.9473","0.0007","13.6621","0.0006","90","","94.227","0.002","90","","3057.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F2 N2 O2 Pd -","- C30 H42 F2 N2 O2 Pd -","- C120 H168 F8 N8 O8 Pd4 -","4","1","","Zhao, Haiwei; Herbert, Simon; Kinzel, Tom; Zhang, Wei; Shen, Qilong","Two ligands transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and its Application in One-pot C-H Borylation/Difluoromethylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03296","","","0.71073","MoKα","","0.1006","0.0679","","","0.1832","0.2226","","","","","","1.025","","","","has coordinates","247864","2020-10-21","18:00:00",""
"4037887","11.3777","0.0017","9.7451","0.0015","19.06","0.003","90","","95.769","0.006","90","","2102.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0594","0.0486","","","0.131","0.1392","","","","","","1.052","","","","has coordinates","247865","2020-10-21","18:00:00",""
"4037888","21.3859","0.0014","9.954","0.0008","20.1133","0.0014","90","","90.644","0.002","90","","4281.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C200 H200 N24 O16 -","8","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0522","0.0478","","","0.1226","0.1263","","","","","","1.072","","","","has coordinates","247866","2020-10-21","18:00:00",""
"4037889","9.852","0.005","10.061","0.005","21.49","0.005","90","0.005","98.006","0.005","90","0.005","2109.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Singh, Priyanka; Kaur, Navpreet; Banerjee, Prabal","Regioselective Brønsted Acid Catalyzed Annulation of Cyclopropane Aldehydes with N'-Aryl Anthranil Hydrazides: Domino Construction of Tetrahydropyrrolo[1,2-a]quinazolin-5(1H)ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03170","","","0.71073","MoKα","","0.0802","0.061","","","0.1397","0.1507","","","","","","1.091","","","","has coordinates","247867","2020-10-21","18:00:00",""
"4037890","9.501","0.0001","10.4714","0.0001","13.6454","0.0003","72.685","0.001","72.133","0.001","85.192","0.001","1233.49","0.03","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 N3 O3 S Se -","- C27 H23 N3 O3 S Se -","- C54 H46 N6 O6 S2 Se2 -","2","1","","Obah Kosso, Anne Roly; Kabri, Youssef; Broggi, Julie; Redon, Sébastien; Vanelle, Patrice","Sequential Regioselective Di-organochalcogenations of Imidazo[1,2-<i>a</i>]pyrimidines using I<sub>2</sub>/H<sub>3</sub>PO<sub>4</sub> in DMSO.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02963","","x-ray","1.54184","CuKα","","0.0393","0.0375","","","0.1013","0.1034","","","","","","1.043","","","","has coordinates,has disorder","247868","2020-10-21","18:00:00",""
"4037891","9.7","0.003","6.943","0.002","15.369","0.005","90","","103.485","0.004","90","","1006.5","0.5","89.95","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O6 P -","- C22 H20 N O6 P -","- C44 H40 N2 O12 P2 -","2","1","","Arai, Ryoga; Hirashima, Shin-Ichi; Nakano, Tatsuki; Kawada, Masahiro; Akutsu, Hiroshi; Nakashima, Kosuke; Miura, Tsuyoshi","Asymmetric Conjugate Addition of Phosphonates to Enones Using Cinchona-Diaminomethylenemalononitrile Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02553","","x-ray","0.71073","MoKα","K-L~3~","0.0341","0.0322","","","0.0779","0.0796","","","","","","1.036","","","","has coordinates,has disorder","247869","2020-10-21","18:00:00",""
"4037892","15.549","0.008","11.015","0.006","17.36","0.009","90","","95.236","0.008","90","","2961","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Pirovano, Valentina; Brambilla, Elisa; Moretti, Andrea; Rizzato, Silvia; Abbiati, Giorgio; Nava, Donatella; Rossi, Elisabetta","Synthesis of cyclohepta[b]indoles by (4+3) cycloaddition of 2-vinylindoles or 4H-furo[3,2-b]indoles with oxyallyl cations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03117","","x-ray","0.71073","MoKα","","0.0643","0.0469","","","0.1252","0.1399","","","","","","1.056","","","","has coordinates","247920","2020-10-21","18:00:00",""
"4037893","4.908","0.0002","14.0311","0.0005","18.5729","0.0006","90","","90","","90","","1279.02","0.08","170","2","169.96","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br N2 O S -","- C14 H9 Br N2 O S -","- C56 H36 Br4 N8 O4 S4 -","4","1","","Yang, Xiang; Yang, Qi-Liang; Wang, Xiang-Yang; Xu, Haohan; Mei, Tian-Sheng; Huang, Yan; Fang, Ping","Copper-Catalyzed Electrochemical Selective Bromination Of 8-Aminoquinoline Amide Using NH4Br as the Brominating Reagent.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03223","","","1.34139","GaKα","","0.0325","0.0303","","","0.073","0.0748","","","","","","1.063","","","","has coordinates,has disorder","247921","2020-10-21","18:00:00",""
"4037894","8.1688","0.0004","14.2208","0.0007","15.5925","0.0008","66.668","0.003","89.608","0.003","83.644","0.003","1651.63","0.15","170","2","170.02","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Br3 N2 O -","- C17 H11 Br3 N2 O -","- C68 H44 Br12 N8 O4 -","4","2","","Yang, Xiang; Yang, Qi-Liang; Wang, Xiang-Yang; Xu, Haohan; Mei, Tian-Sheng; Huang, Yan; Fang, Ping","Copper-Catalyzed Electrochemical Selective Bromination Of 8-Aminoquinoline Amide Using NH4Br as the Brominating Reagent.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03223","","","1.34139","GaKα","","0.1364","0.1146","","","0.2734","0.2925","","","","","","0.902","","","","has coordinates","247922","2020-10-21","18:00:00",""
"4037895","8.1864","0.0002","9.8229","0.0003","10.8563","0.0003","94.816","0.001","96.61","0.001","103.827","0.001","836.43","0.04","173","2","172.93","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br2 N3 O -","- C18 H15 Br2 N3 O -","- C36 H30 Br4 N6 O2 -","2","1","","Yang, Xiang; Yang, Qi-Liang; Wang, Xiang-Yang; Xu, Haohan; Mei, Tian-Sheng; Huang, Yan; Fang, Ping","Copper-Catalyzed Electrochemical Selective Bromination Of 8-Aminoquinoline Amide Using NH4Br as the Brominating Reagent.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03223","","","1.34139","GaKα","","0.0307","0.0298","","","0.0796","0.0804","","","","","","1.102","","","","has coordinates","247923","2020-10-21","18:00:00",""
"4037896","5.3666","0.0002","9.7979","0.0005","12.3394","0.0006","112.818","0.005","94.908","0.004","92.972","0.004","593.29","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Kumar, Anil; Prabhu, Kandikere Ramaiah","Rhodium(III)-Catalyzed C-H Activation: A Cascade Approach for the Regioselective Synthesis of Fused Heterocyclic Lactone Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03266","","x-ray","0.71073","MoKα","","0.053","0.0412","","","0.1131","0.121","","","","","","1.095","","","","has coordinates","248006","2020-10-21","18:00:00",""
"4037897","7.6463","0.0011","11.753","0.002","12.203","0.003","117.17","0.02","100.016","0.017","90.347","0.015","956.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","2","","Kumar, Anil; Prabhu, Kandikere Ramaiah","Rhodium(III)-Catalyzed C-H Activation: A Cascade Approach for the Regioselective Synthesis of Fused Heterocyclic Lactone Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03266","","x-ray","0.71073","MoKα","","0.1158","0.0826","","","0.2479","0.2708","","","","","","1.06","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037898","19.0731","0.0005","42.4808","0.0013","7.1555","0.0002","90","","90","","90","","5797.7","0.3","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C63 H74 Cl2 O12 -","- C63 H74 Cl2 O12 -","- C252 H296 Cl8 O48 -","4","1","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0743","0.0473","","","0.0988","0.1111","","","","","","1.037","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037899","11.2613","0.0002","11.2613","0.0002","24.166","0.0009","90","","90","","120","","2654.07","0.12","200","2","200","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Cl3 D I3 O3 -","- C33 H32.9997 Cl3 D I3 O3 -","- C99 H98.9991 Cl9 D3 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0644","0.0587","","","0.1411","0.1463","","","","","","1.094","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037900","16.4649","0.0009","16.4724","0.0009","16.8345","0.0009","85.833","0.004","65.957","0.004","65.08","0.004","3754.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 F9 O9 S3 -","- C35 H33 F9 O9 S3 -","- C140 H132 F36 O36 S12 -","4","2","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.1671","0.0758","","","0.1635","0.2061","","","","","","1.03","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037901","10.0964","0.0009","11.2035","0.001","15.5435","0.0014","81.8372","0.0015","83.712","0.0015","64.6173","0.0013","1570.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 Br6 O3 -","- C32 H30 Br6 O3 -","- C64 H60 Br12 O6 -","2","1","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","0.71073","MoKα","","0.0642","0.0377","","","0.0897","0.0999","","","","","","1.02","","","","has coordinates","248009","2020-10-21","18:00:00",""
"4037902","11.2774","0.0005","11.2774","0.0005","24.1597","0.0016","90","","90","","120","","2661","0.2","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H34 Cl3 I3 O3 -","- C33 H33.9997 Cl3 I3 O3 -","- C99 H101.999 Cl9 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","0.71073","MoKα","","0.0242","0.0224","","","0.0463","0.0472","","","","","","1.069","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037903","7.6901","0.0006","8.959","0.0006","15.0201","0.0011","82.501","0.006","89.134","0.006","82.478","0.006","1017.14","0.13","293","2","293","2","","","","","","","Synthesize","3","P -1","-P 1","2","","","","- C25 H28 O -","- C25 H28 O -","- C50 H56 O2 -","2","1","","Jesin, Irfana; Mercy, A. Antony Haritha; S, Ravindra; Kataria, Ramesh; Nandi, Ganesh Chandra","A mild and metal-free protocol towards the synthesis of triarylmethanes by reactions of (hetero)arylboronic acids and ortho-hydroxyarylaldehydes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02807","","x-ray","0.71073","MoKα","","0.1358","0.0685","","","0.172","0.21","","","","","","1","","","","has coordinates","248010","2020-10-21","18:00:00",""
"4037904","20.0913","0.0009","5.7683","0.0003","8.6111","0.0003","90","","100.739","0.001","90","","980.49","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dibenzyl (2,5-dioxopiperazine-1,4-diyl)dicarbamate","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C40 H40 N8 O12 -","2","0.5","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.0502","0.0414","","","0.1259","0.1391","","","","","","0.836","","","","has coordinates","248053","2020-10-21","18:00:00",""
"4037905","5.8031","0.0006","11.3443","0.0009","22.168","0.003","90","","90","","90","","1459.4","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-methoxy-N-(3-methyl-2,5-dioxopiperazin-1-yl)benzamide","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.0933","0.0548","","","0.1391","0.1728","","","","","","0.885","","","","has coordinates","248054","2020-10-21","18:00:00",""
"4037906","5.9113","0.0004","8.836","0.0005","30.1022","0.0019","90","","91.803","0.002","90","","1571.53","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-isobutyl-2,5-dioxopiperazin-1-yl)benzamide","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.1427","0.0548","","","0.1444","0.2031","","","","","","1.008","","","","has coordinates","248055","2020-10-21","18:00:00",""
"4037907","9.6068","0.0006","6.5971","0.0004","20.956","0.0014","90","","99.521","0.003","90","","1309.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Vázquez-Amaya, Laura Y; Quintero, Leticia; Rodríguez-Molina, Braulio; Sartillo-Piscil, Fernando","Transition-Metal-Free Total Synthesis and Revision of the Absolute Configuration of Pipermethystine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03218","","","1.54178","CuKα","","0.045","0.0394","","","0.0874","0.0914","","","","","","1.081","","","","has coordinates","248093","2020-10-21","18:00:00",""
"4037908","9.411","0.0005","13.234","0.0006","14.8269","0.0007","87.531","0.003","74.064","0.003","87.739","0.003","1773.27","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H16 O2 -","- C25 H16 O2 -","- C100 H64 O8 -","4","2","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.71073","MoKα","","0.0635","0.0392","","","0.086","0.0963","","","","","","1.013","","","","has coordinates","248094","2020-10-21","18:00:00",""
"4037909","13.208","0.004","14.175","0.004","16.004","0.005","92.418","0.003","106.431","0.003","112.587","0.003","2614.7","1.4","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H26 -","- C38 H26 -","- C152 H104 -","4","2","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.71073","MoKα","","0.1422","0.0678","","","0.1481","0.1971","","","","","","1.057","","","","has coordinates,has disorder","248095","2020-10-21","18:00:00",""
"4037910","13.916","0.003","13.548","0.003","18.394","0.004","90","","92.99","0.03","90","","3463.2","1.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 Cl2 N O4 S -","- C41 H31 Cl2 N O4 S -","- C164 H124 Cl8 N4 O16 S4 -","4","1","","Maeng, Chanyoung; Son, Jeong-Yu; Lee, Seung Cheol; Baek, Yonghyeon; Um, Kyusik; Han, Sang Hoon; Ko, Gi Hoon; Han, Gi Uk; Lee, Kyungsup; Lee, Kooyeon; Lee, Phil Ho","Expansion of Azulenes as Nonbenzenoid Aromatic Compounds for C‒H Activation: Rhodium- and Iridium-Catalyzed Oxidative Cyclization of Azulene Carboxylic Acids with Alkynes for the Synthesis of Azulenolactones and Benzoazulenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b03448","","","0.73","synchrotron","","0.1227","0.0967","","","0.2819","0.3061","","","","","","1.106","","","","has coordinates,has disorder","248096","2020-10-21","18:00:00",""
"4037911","4.947","0.006","21.64","0.03","11.754","0.014","90","","100.195","0.018","90","","1238","3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Bian, Qilong; Wu, Cunluo; Yuan, Jiangpei; Shi, Zuodong; Ding, Tao; Huang, Yongwei; Xu, Yuanqing; Xu, Hao","Iron Nitrate-Mediated Selective Synthesis of 3-Acyl-1,2,4-Oxadiazoles from Alkynes and Nitriles: The Dual Roles of Iron Nitrate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03070","","","0.71073","MoKα","","0.1252","0.0509","","","0.1173","0.1462","","","","","","1.015","","","","has coordinates","248097","2020-10-21","18:00:00",""
"4037912","29.091","0.009","8.713","0.003","17.546","0.006","90","","102.525","0.012","90","","4342","3","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N3 O -","- C28 H25 N3 O -","- C224 H200 N24 O8 -","8","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.1131","0.0588","","","0.1141","0.1305","","","","","","1.013","","","","has coordinates,has disorder","248098","2020-10-21","18:00:00",""
"4037913","9.7253","0.0006","7.5932","0.0005","21.9133","0.0011","90","","92.088","0.002","90","","1617.14","0.17","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 S -","- C20 H13 N5 S -","- C80 H52 N20 S4 -","4","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.0623","0.0391","","","0.0915","0.0975","","","","","","1.05","","","","has coordinates","248099","2020-10-21","18:00:00",""
"4037914","14.502","0.005","11.158","0.004","15.629","0.006","90","","116.616","0.009","90","","2261","1.4","250","1","250","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 S -","- C28 H25 N3 S -","- C112 H100 N12 S4 -","4","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.1904","0.0534","","","0.0991","0.118","","","","","","0.897","","","","has coordinates","248100","2020-10-21","18:00:00",""
"4037915","7.8191","0.0007","8.211","0.0008","13.3817","0.0013","80.524","0.003","73.188","0.003","67.372","0.003","757.73","0.13","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 N5 O -","- C20 H13 N5 O -","- C40 H26 N10 O2 -","2","1","","Qu, Yangyang; Pander, Piotr Henryk; Vybornyi, Oleh; Vasylieva, Marharyta; Guillot, Régis; Miomandre, Fabien; Dias, Fernando B.; Skabara, Peter J.; Data, Przemyslaw; Clavier, Gilles; Audebert, Pierre","Donor-acceptor 1,2,4,5-Tetrazines Prepared by Buchwald-Hartwig Cross-Coupling Reaction and Their Photoluminescence Turn-on Property by Inverse Electron Demand Diels-Alder Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02817","","x-ray","0.71073","MoKα","","0.0493","0.0423","","","0.1187","0.1234","","","","","","1.083","","","","has coordinates","248101","2020-10-21","18:00:00",""
"4037916","4.6446","0.0008","8.456","0.002","10.71","0.0016","89.422","0.018","86.974","0.013","80.489","0.018","414.27","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.103","0.0872","","","0.2302","0.2656","","","","","","1.061","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037917","18.5157","0.001","9.4421","0.0005","7.9012","0.0004","90","","101.918","0.005","90","","1351.57","0.13","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0572","0.0473","","","0.1089","0.1168","","","","","","1.061","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037918","6.9199","0.0004","7.5328","0.0005","7.9552","0.0005","96.283","0.006","97.67","0.005","109.017","0.006","383.32","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","","1.54184","CuKα","","0.0551","0.0541","","0.1519","0.1504","0.1519","","","","","","1.0043","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037919","5.6345","0.0004","6.4841","0.0005","25.9775","0.0017","90","","95.661","0.007","90","","944.45","0.12","150","0.1","150","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","0.5","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0445","0.0394","","","0.1005","0.1044","","","","","","1.06","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037920","6.816","0.0004","11.4782","0.0005","11.3108","0.0005","90","","102.768","0.005","90","","863.02","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","0.71073","MoKα","","0.0941","0.0604","","","0.1245","0.148","","","","","","1.08","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037921","3.8928","0.001","9.3628","0.0016","10.7006","0.0014","81.053","0.012","83.731","0.016","79.026","0.018","376.94","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0813","0.0649","","","0.1636","0.176","","","","","","1.029","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037922","3.7878","0.0003","9.6277","0.0008","10.3407","0.0008","63.995","0.008","84.352","0.007","80.203","0.007","333.86","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C14 H14 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0407","0.0362","","","0.0947","0.0985","","","","","","1.051","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037923","6.225","0.0014","7.862","0.003","8.7433","0.0018","103.85","0.02","94.753","0.018","95.55","0.02","411","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 F3 N O3 -","- C7 H6 F3 N O3 -","- C14 H12 F6 N2 O6 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.1294","0.0856","","","0.2063","0.2456","","","","","","1.024","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037924","6.5474","0.0007","7.2418","0.0007","7.6043","0.0007","77.401","0.008","85.073","0.008","78.699","0.009","344.7","0.06","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C16 H14 N2 O4 -","2","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0564","0.045","","","0.1118","0.1211","","","","","","1.051","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037925","9.652","0.0004","9.3307","0.0005","13.2182","0.0006","90","","90","","90","","1190.43","0.1","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C48 H56 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0504","0.0464","","","0.1286","0.133","","","","","","1.082","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037926","7.9702","0.0003","9.4474","0.0003","12.8774","0.0004","90","","99.231","0.003","90","","957.08","0.06","109.85","0.1","109.85","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 -","- C24 H25 N3 -","- C48 H50 N6 -","2","1","","Chen, Yang; Li, Siqi; Hou, Shili; Xu, Jiaxi; Yang, Zhanhui","Chiral Synthesis of McGeachin-Type Bisaminals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03362","","x-ray","1.54184","CuKα","","0.0329","0.0323","","","0.0857","0.0863","","","","","","1.033","","","","has coordinates","248141","2020-10-21","18:00:00",""
"4037927","5.449","0.005","13.428","0.012","18.08","0.017","89.11","0.02","89.82","0.03","89.99","0.03","1323","2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy","Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03160","","","0.71073","MoKα","","0.2965","0.0828","","","0.1505","0.2277","","","","","","0.91","","","","has coordinates","248180","2020-10-21","18:00:00",""
"4037928","5.518","0.009","12.69","0.02","15.56","0.03","73.19","0.05","90","","90","","1043","3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","2","","Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy","Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03160","","","0.71073","MoKα","","0.2583","0.1451","","","0.3266","0.4302","","","","","","0.919","","","","has coordinates","248181","2020-10-21","18:00:00",""
"4037929","17.669","0.002","10.1689","0.0013","18.228","0.002","90","","90","","90","","3275.1","0.7","297.15","","297.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,1,3-triphenylprop-2-en-1-imine","","- C21 H17 N -","- C21 H17 N -","- C168 H136 N8 -","8","1","","Schmidt, Elena Yu; Bidusenko, Ivan A.; Protsuk, Nadezhda I.; Demyanov, Yan; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Transition Metal-Free Superbase-Catalyzed C-H Vinylation of Aldimines with Acetylenes to 1-Azadienes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03192","","x-ray","0.71073","MoKα","","0.1288","0.0602","","","0.1205","0.1433","","","","","","1.102","","","","has coordinates","248182","2020-10-21","18:00:00",""
"4037930","7.2002","0.0013","12.128","0.003","14.45","0.003","83.283","0.014","85.532","0.008","84.093","0.013","1243.7","0.5","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 N6 -","- C34 H22 N6 -","- C68 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54187","CuKα","","0.0507","0.0355","","","0.0855","0.0929","","","","","","1.003","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037931","16.563","0.005","9.251","0.002","19.834","0.005","90","","93.794","0.009","90","","3032.4","1.4","93","2","93","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H30 N6 O2 Zn -","- C38 H30 N6 O2 Zn -","- C152 H120 N24 O8 Zn4 -","4","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54187","CuKα","","0.0985","0.0543","","","0.1293","0.1556","","","","","","1.007","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037932","11.8237","0.0003","7.5942","0.0001","31.358","0.0007","90","","98.836","0.002","90","","2782.27","0.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N6 S2 -","- C34 H28 N6 S2 -","- C136 H112 N24 S8 -","4","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0748","0.0656","","","0.1804","0.1892","","","","","","1.02","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037933","7.1722","0.0001","12.1545","0.0002","12.7903","0.0002","88.7385","0.0015","88.2632","0.0014","85.3929","0.0014","1110.66","0.03","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 N6 -","- C30 H20 N6 -","- C60 H40 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0425","0.0375","","","0.1012","0.1048","","","","","","1.056","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037934","6.9194","0.0002","20.1673","0.0005","20.3722","0.0007","62.739","0.003","85.551","0.002","87.33","0.002","2519.28","0.15","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 N12 O2.5 Zn2 -","- C62 H44 N12 O2.5 Zn2 -","- C124 H88 N24 O5 Zn4 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0519","0.0403","","","0.1046","0.1115","","","","","","1.039","","","","has coordinates,has disorder","248183","2020-10-21","18:00:00",""
"4037935","7.084","0.0003","12.3593","0.0006","12.9315","0.0007","89.408","0.004","89.035","0.004","83.887","0.004","1125.56","0.1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0533","0.0418","","","0.1095","0.1171","","","","","","1.026","","","","has coordinates,has disorder","248183","2020-10-21","18:00:00",""
"4037936","7.1923","0.0002","12.3366","0.0004","12.7515","0.0003","89.057","0.002","88.165","0.002","83.635","0.002","1123.78","0.05","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03467","","","1.54184","CuKα","","0.0563","0.0466","","","0.1257","0.1327","","","","","","1.033","","","","has coordinates","248183","2020-10-21","18:00:00",""
"4037937","5.9601","0.0002","17.5009","0.0006","29.1554","0.0008","90","","90","","90","","3041.12","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 F2 N O6 S -","- C31 H43 F2 N O6 S -","- C124 H172 F8 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0624","0.0594","","","0.1648","0.169","","","","","","1.072","","","","has coordinates","248241","2020-10-21","18:00:00",""
"4037938","5.8864","0.0002","17.578","0.0004","29.0647","0.0007","90","","90","","90","","3007.36","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 F5 N O6 S -","- C28 H40 F5 N O6 S -","- C112 H160 F20 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0277","0.0267","","","0.0669","0.0675","","","","","","1.063","","","","has coordinates","248242","2020-10-21","18:00:00",""
"4037939","14.7777","0.0003","6.0257","0.0001","15.3581","0.0003","90","","99.641","0.001","90","","1348.26","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H43 N O5 S -","- C28 H43 N O5 S -","- C56 H86 N2 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","","1.54178","CuKα","","0.0257","0.0251","","","0.0646","0.0649","","","","","","1.049","","","","has coordinates","248243","2020-10-21","18:00:00",""
"4037940","6.742","0.0001","21.9829","0.0003","9.798","0.0002","90","","94.208","0.001","90","","1448.23","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H46 N2 O5 S -","- C29 H46 N2 O5 S -","- C58 H92 N4 O10 S2 -","2","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0234","0.0233","","","0.0603","0.0604","","","","","","1.032","","","","has coordinates","248244","2020-10-21","18:00:00",""
"4037941","9.0479","0.0002","17.6034","0.0005","19.2922","0.0005","90","","90","","90","","3072.74","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 N3 O5 S -","- C30 H47 N3 O5 S -","- C120 H188 N12 O20 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0748","0.0759","","","","","","1.034","","","","has coordinates","248245","2020-10-21","18:00:00",""
"4037942","10.066","0.0007","13.5727","0.0011","25.2821","0.0017","90","","90","","90","","3454.1","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C168 H144 N32 -","8","1","","Sar, Saibal; Tripathi, Ankita; Dubey, Kshatresh Dutta; Sen, Subhabrata","Iodine-Catalyzed Aerobic Diazenylation-Amination of Indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03392","","","0.71073","MoKα","","0.115","0.0542","","","0.1156","0.1459","","","","","","1.013","","","","has coordinates","248263","2020-10-21","18:00:00",""
"4037943","9.885","0.005","13.354","0.007","21.226","0.01","90","","96.21","0.006","90","","2785","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N Se -","- C18 H13 N Se -","- C144 H104 N8 Se8 -","8","2","","Chen, Wenqi; Zhu, Xiaoming; Wang, Fei; Yang, Yuan; Deng, Guobo; Liang, Yun","Iodine-Catalyzed Three-Component Cascade Reaction for the Synthesis of Substituted 2-Phenylnaphtho[1,3]selenazoles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03154","","","0.71073","MoKα","","0.0553","0.0414","","","0.1038","0.1082","","","","","","1.051","","","","has coordinates","248296","2020-10-21","18:00:00",""
"4037944","12.0249","0.0011","7.4099","0.0006","13.555","0.0012","90","","113.483","0.003","90","","1107.76","0.17","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","JA-TFG-1","","","- C23 H29 N3 O5 -","- C23 H29 N3 O5 -","- C46 H58 N6 O10 -","2","1","","Navo, Claudio D.; Mazo, Nuria; Oroz, Paula; Gutiérrez-Jiménez, Marta I; Marín, Javier; Asenjo, Juan; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Zurbano, María M; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","Synthesis of <i>N</i><i> <sub>β</sub> </i>-Substituted α,β-Diamino Acids via Stereoselective <i>N</i>-Michael Additions to a Chiral Bicyclic Dehydroalanine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03020","","x-ray","0.71076","MoKα","","0.0522","0.0389","","","0.1007","0.1055","","","","","","1.062","","","","has coordinates","248297","2020-10-21","18:00:00",""
"4037945","10.60302","0.00019","10.85734","0.00019","24.9687","0.0004","90","","90","","90","","2874.41","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 F N3 O5 -","- C28 H32 F N3 O5 -","- C112 H128 F4 N12 O20 -","4","1","","Li, Zhanhuan; Peng, Jingyi; He, Chonglong; Xu, Jianfeng; Ren, Hongjun","Squaramide-Catalyzed Asymmetric Mannich Reactions of Azlactones with Isatin-Derived Ketimines: Access to α,β-Diamino Acid Derivatives Bearing Vicinal Quaternary Stereocenters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03000","","","1.54184","CuKα","","0.0398","0.039","","","0.1089","0.1102","","","","","","1.022","","","","has coordinates","248298","2020-10-21","18:00:00",""
"4037946","11.7641","0.0012","15.9708","0.0017","9.3316","0.001","90","","101.481","0.001","90","","1718.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br N2 -","- C20 H17 Br N2 -","- C80 H68 Br4 N8 -","4","1","","Shen, Xuanyu; Shatskiy, Andrey; Chen, Yan; Kärkäs, Markus D; Wang, Xiang-Shan; Liu, Jian-Quan","Silver-Assisted [3 + 2] Annulation of Nitrones with Isocyanides: Synthesis of 2,3,4-Trisubstituted 1,2,4-Oxadiazolidin-5-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03279","","","0.71073","MoKα","","0.0436","0.0336","","","0.0858","0.0905","","","","","","1.032","","","","has coordinates","248348","2020-10-21","18:00:00",""
"4037947","17.9016","0.0014","6.3035","0.0005","17.9016","0.0014","90","","119.03","","90","","1766.3","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Shen, Xuanyu; Shatskiy, Andrey; Chen, Yan; Kärkäs, Markus D; Wang, Xiang-Shan; Liu, Jian-Quan","Silver-Assisted [3 + 2] Annulation of Nitrones with Isocyanides: Synthesis of 2,3,4-Trisubstituted 1,2,4-Oxadiazolidin-5-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03279","","","0.71073","MoKα","","0.047","0.0364","","","0.0902","0.0965","","","","","","1.052","","","","has coordinates","248349","2020-10-21","18:00:00",""
"4037948","7.797","0.0004","8.5423","0.0004","9.3211","0.0004","96.609","0.004","93.905","0.004","91.966","0.004","614.71","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C24 H26 N6 O8 -","2","1","","Pan, Zhengbing; Mao, Kaimin; Zhu, Guangzhou; Wang, Chang; Zhang, Jinpeng; Rong, Liangce","Copper-catalyzed Annulation Reaction of Alkenes and N-alkyl(aryl)-1- (methylthio)-2-nitroethenamine: an Approach for the Synthesis of Isoxazole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03157","","x-ray","0.71073","MoKα","","0.045","0.0384","","","0.0978","0.1026","","","","","","1.048","","","","has coordinates","248350","2020-10-21","18:00:00",""
"4037949","10.7452","0.0001","8.6766","0.0001","34.0401","0.0003","90","","90","","90","","3173.62","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0321","0.0314","","","0.0769","0.0775","","","","","","1.07","","","","has coordinates","248383","2020-10-21","18:00:00",""
"4037950","9.3967","0.0002","14.1104","0.0002","18.2896","0.0004","90","","94.481","0.002","90","","2417.63","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N O6 S -","- C26 H29 N O6 S -","- C104 H116 N4 O24 S4 -","4","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0373","0.0339","","","0.0923","0.094","","","","","","1.061","","","","has coordinates","248384","2020-10-21","18:00:00",""
"4037951","22.723","0.0004","9.998","0.0002","15.819","0.0005","90","","90","","90","","3593.83","0.15","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0554","0.0518","","","0.1388","0.1425","","","","","","1.106","","","","has coordinates","248385","2020-10-21","18:00:00",""
"4037952","19.1173","0.0004","20.3155","0.0005","13.0813","0.0003","90","","126.62","0.03","90","","4077.6","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl F N2 O4 S -","- C24 H16 Cl F N2 O4 S -","- C192 H128 Cl8 F8 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.54178","CuKα","","0.0364","0.0357","","","0.0938","0.0944","","","","","","1.064","","","","has coordinates","248386","2020-10-21","18:00:00",""
"4037953","9.0783","0.0002","10.2205","0.0002","25.0955","0.0004","90","","90","","90","","2328.48","0.08","170","2","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br2 N2 O4 S -","- C24 H18 Br2 N2 O4 S -","- C96 H72 Br8 N8 O16 S4 -","4","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0361","0.0331","","","0.0758","0.0778","","","","","","1.062","","","","has coordinates","248387","2020-10-21","18:00:00",""
"4037954","12.45","0.0013","17.1118","0.0019","20.259","0.002","90","","90","","90","","4316","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C216 H176 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","0.71073","MoKα","","0.0596","0.049","","","0.1171","0.1239","","","","","","1.095","","","","has coordinates","248388","2020-10-21","18:00:00",""
"4037955","8.7367","0.0004","8.7367","0.0004","56.083","0.004","90","","90","","90","","4280.8","0.4","170","2","170","","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H17 Br N2 O4 S -","- C24 H17 Br N2 O4 S -","- C192 H136 Br8 N16 O32 S8 -","8","2","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0891","0.0839","","","0.2309","0.2347","","","","","","1.08","","","","has coordinates","248389","2020-10-21","18:00:00",""
"4037956","17.7095","0.001","9.6147","0.0004","18.3936","0.001","90","","104.458","0.005","90","","3032.7","0.3","293.01","0.1","293.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","1","","Shi, Zhaojiang; Wang, Lianhui; Yang, Zi; Jie, Lianghua; Liu, Xiao; Cui, Xiuling","Tandem Construction of Indole-Fused Phthalazines from (2-Alkynylbenzylidene)hydrazines under Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02937","","x-ray","0.71073","MoKα","","0.0812","0.0538","","","0.1244","0.14","","","","","","1.03","","","","has coordinates","248390","2020-10-21","18:00:00",""
"4037957","9.682","0.002","6.4255","0.0014","26.074","0.006","90","","100.179","0.008","90","","1596.6","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 Cl2 O5 -","- C13 H18 Cl2 O5 -","- C52 H72 Cl8 O20 -","4","2","","Sunnapu, Ranganayakulu; Banoth, Saikumar Naik; R S, Reyno; Thomas, Aleena; Venugopal, Navyasree; Rajendar, Goreti","Stereoselective Total Synthesis of (-)-(2S,4R)-3'-Methoxyl Citreochlorol: Preparation and Use of New Proline Based Auxiliary for Asymmetric Acetate Aldol Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03227","","","0.71073","MoKα","","0.1381","0.0805","","","0.2178","0.267","","","","","","1.04","","","","has coordinates,has disorder","248423","2020-10-21","18:00:00",""
"4037958","3.999","0.002","18.448","0.01","18.493","0.011","90","","90.662","0.019","90","","1364.2","1.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Han, Xu; Gao, Feng; Li, Chunpu; Fang, Daqing; Xie, Xiong; Zhou, Yu; Liu, Hong","Synthesis of Highly Fused Pyrano[2,3-b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03102","","","0.71073","MoKα","","0.0986","0.059","","","0.1253","0.1434","","","","","","1.074","","","","has coordinates","248439","2020-10-21","18:00:00",""
"4037959","14.42","0.0017","19.703","0.002","10.3796","0.0012","90","","90.12","0.05","90","","2949","0.6","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Han, Xu; Gao, Feng; Li, Chunpu; Fang, Daqing; Xie, Xiong; Zhou, Yu; Liu, Hong","Synthesis of Highly Fused Pyrano[2,3-b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03102","","","1.54178","CuKα","","0.0377","0.0368","","","0.1027","0.1035","","","","","","0.97","","","","has coordinates","248440","2020-10-21","18:00:00",""
"4037960","10.75286","0.00007","10.8363","0.00007","41.113","0.0003","90","","90","","90","","4790.54","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C216 H208 N16 O56 -","8","2","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0242","0.0238","","","0.0603","0.0605","","","","","","1.021","","","","has coordinates","248464","2020-10-21","18:00:00",""
"4037961","8.35326","0.00014","5.76025","0.00011","11.5435","0.0002","90","","95.1416","0.0016","90","","553.202","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C20 H28 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0222","0.0221","","","0.0578","0.0579","","","","","","1.065","","","","has coordinates","248465","2020-10-21","18:00:00",""
"4037962","5.99677","0.00007","7.61343","0.00008","20.4686","0.0002","90","","92.4786","0.001","90","","933.64","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.034","0.0338","","","0.088","0.0882","","","","","","1.028","","","","has coordinates","248466","2020-10-21","18:00:00",""
"4037963","5.9124","0.00008","6.26542","0.00006","40.767","0.0004","90","","90","","90","","1510.16","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0254","0.0248","","","0.0626","0.063","","","","","","1.042","","","","has coordinates","248467","2020-10-21","18:00:00",""
"4037964","10.8256","0.0014","12.8053","0.0016","19.32","0.003","90","","90","","90","","2678.2","0.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 O5 P W -","- C25 H31 O5 P W -","- C100 H124 O20 P4 W4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0422","0.031","","","0.0581","0.0609","","","","","","1.01","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037965","12.2859","0.0005","14.0636","0.0006","17.5304","0.0007","90","","101.191","0.001","90","","2971.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O5 P W -","- C31 H37 O5 P W -","- C124 H148 O20 P4 W4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0395","0.0279","","","0.061","0.0647","","","","","","1.036","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037966","10.2896","0.0008","19.8717","0.0015","12.6613","0.0009","90","","94.523","0.002","90","","2580.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl P -","- C28 H36 Cl P -","- C112 H144 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0741","0.0546","","","0.146","0.1577","","","","","","1.029","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037967","11.417","0.0004","18.186","0.0006","12.9321","0.0004","90","","107.046","0.002","90","","2567.13","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 O P -","- C29 H39 O P -","- C116 H156 O4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0686","0.0481","","","0.1152","0.1259","","","","","","1.044","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037968","11.0637","0.0008","11.4975","0.0008","12.0726","0.0009","85.785","0.002","66.306","0.002","69.68","0.003","1314.82","0.17","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H39 P -","- C29 H39 P -","- C58 H78 P2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.082","0.056","","","0.1567","0.1701","","","","","","1.06","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037969","10.921","0.002","11.391","0.002","13.516","0.003","68.762","0.007","77.919","0.007","67.038","0.007","1438.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H45 P -","- C35 H45 P -","- C70 H90 P2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0804","0.0541","","","0.1162","0.1284","","","","","","1.028","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037970","40.065","0.002","9.2931","0.0004","21.2408","0.0008","90","","100.23","0.001","90","","7782.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H51 Cl3 Ir P -","- C38 H51 Cl3 Ir P -","- C304 H408 Cl24 Ir8 P8 -","8","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0595","0.0423","","","0.0978","0.1018","","","","","","1.043","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037971","20.082","0.003","9.348","0.002","21.825","0.003","90","","106.02","0.007","90","","3938","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl2 F Ir P -","- C42 H56 Cl2 F Ir P -","- C168 H224 Cl8 F4 Ir4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0935","0.0458","","","0.0709","0.0811","","","","","","1.013","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037972","12.2693","0.0006","14.6797","0.0007","18.2478","0.0009","90","","94.529","0.002","90","","3276.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Cl2 O3 P Ru -","- C32 H51 Cl2 O3 P Ru -","- C128 H204 Cl8 O12 P4 Ru4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0369","0.0283","","","0.0661","0.0691","","","","","","1.025","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037973","9.9339","0.0004","12.1511","0.0005","23.8401","0.001","90","","98.4975","0.0013","90","","2846.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Au Cl P -","- C29 H39 Au Cl P -","- C116 H156 Au4 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0559","0.0229","","","0.0465","0.0492","","","","","","0.998","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037974","10.7538","0.0005","12.6165","0.0006","14.2361","0.0007","64.557","0.002","71.226","0.002","85.048","0.002","1648.31","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H39 Cl2 Cu F3 O3 P S -","- C30 H39 Cl2 Cu F3 O3 P S -","- C60 H78 Cl4 Cu2 F6 O6 P2 S2 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0893","0.0448","","","0.087","0.0985","","","","","","1.028","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037975","13.8708","0.0008","15.6985","0.0009","21.0466","0.0012","99.032","0.002","101.061","0.002","114.982","0.002","3928.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H92 Cu2 F13 O6 P2 S2 -","- C81 H92 Cu2 F13 O6 P2 S2 -","- C162 H184 Cu4 F26 O12 P4 S4 -","2","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0624","0.053","","","0.1535","0.1597","","","","","","1.038","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037976","10.021","0.0005","18.3007","0.0008","24.1448","0.0011","88.021","0.002","86.219","0.002","76.184","0.002","4289.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 Cr O5 P -","- C28 H37.6667 Cr O5 P -","- C168 H226 Cr6 O30 P6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0858","0.0551","","","0.1429","0.1572","","","","","","1.116","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037977","10.1218","0.0005","18.1986","0.0009","24.5216","0.0012","88.051","0.002","86.135","0.002","75.778","0.002","4367.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 Mo O5 P -","- C28 H37.6667 Mo O5 P -","- C168 H226 Mo6 O30 P6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.1092","0.0566","","","0.1","0.1137","","","","","","1.018","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037978","10.1196","0.0007","18.2382","0.0014","24.5842","0.0018","88.238","0.003","86.321","0.002","75.864","0.002","4390.3","0.6","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37.67 O5 P W -","- C28 H37.6667 O5 P W -","- C168 H226 O30 P6 W6 -","6","3","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0656","0.0379","","","0.0645","0.0711","","","","","","1.016","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037979","12.2004","0.0005","10.6944","0.0004","17.4086","0.0007","90","","107.563","0.001","90","","2165.52","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Au Cl P -","- C21 H33 Au Cl P -","- C84 H132 Au4 Cl4 P4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0402","0.0286","","","0.0559","0.0587","","","","","","1.047","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037980","16.1468","0.0008","16.1269","0.0008","16.4389","0.0008","90","","100.437","0.002","90","","4209.8","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H32 Cl O P -","- C21 H32 Cl O P -","- C168 H256 Cl8 O8 P8 -","8","2","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.047","0.0422","","","0.1041","0.1066","","","","","","1.038","","","","has coordinates,has disorder","248502","2020-10-21","18:00:00",""
"4037981","12.209","0.0017","6.6997","0.001","29.003","0.004","90","","90","","90","","2372.3","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0812","0.0767","","","0.2476","0.2514","","","","","","1.093","","","","has coordinates","248503","2020-10-21","18:00:00",""
"4037982","13.891","0.009","10.032","0.007","15.905","0.011","90","","101.772","0.01","90","","2170","3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0931","0.0615","","","0.1886","0.2068","","","","","","1.14","","","","has coordinates","248504","2020-10-21","18:00:00",""
"4037983","8.4148","0.0006","10.2824","0.0008","14.178","0.0011","90","","95.0523","0.0011","90","","1221.98","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0391","0.0381","","","0.0976","0.0982","","","","","","1.07","","","","has coordinates","248505","2020-10-21","18:00:00",""
"4037984","9.2","","17.273","","23.09","","90","","90","","90","","3669.27","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Zheng, Guangfan; Duan, Xujing; Chen, Lu; Sun, Jiaqiong; Zhai, Shuailei; Li, Xiaojiao; Jing, Jierui; Li, Xingwei","Access to [4,3,1]-Bridged Carbocycles via Rhodium(III)-Catalyzed C-H Activation of 2-Arylindols and Annulation with Quinone Monoacetals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00018","","","0.71073","MoKα","","0.0517","0.0512","","","0.1594","0.1601","","","","","","0.656","","","","has coordinates","248506","2020-10-21","18:00:00",""
"4037985","9.6805","0.0018","23.196","0.004","10.671","0.002","90","","101.345","0.004","90","","2349.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C104 H104 N8 O8 S8 -","8","2","","Huang, Fei; Wu, Ping; Yu, Zhengkun","Copper(II)-Mediated Intramolecular Cyclopropanation of Ketene N,X-Acetals (X = S, O, N) under Mild Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00093","","","0.71073","MoKα","","0.0599","0.0461","","","0.1151","0.124","","","","","","1.027","","","","has coordinates","248507","2020-10-21","18:00:00",""
"4037986","8.4335","0.001","17.4528","0.0018","17.6982","0.0013","90","","90","","90","","2605","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C120 H128 N16 O8 -","8","2","","Huang, Fei; Wu, Ping; Yu, Zhengkun","Copper(II)-Mediated Intramolecular Cyclopropanation of Ketene N,X-Acetals (X = S, O, N) under Mild Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00093","","","0.71073","MoKα","","0.0675","0.0468","","","0.0976","0.1095","","","","","","1.059","","","","has coordinates,has disorder","248507","2020-10-21","18:00:00",""
"4037987","6.0269","0.0005","7.438","0.0006","42.688","0.004","90","","90.915","0.004","90","","1913.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Br2 N2 -","- C23 H20 Br2 N2 -","- C92 H80 Br8 N8 -","4","1","","Alajarin, Mateo; Ballester, Francisco-Jose; Vivancos, Juan-Antonio; Orenes, Raul-Angel; Vidal, Ángel; Sanchez-Andrada, Pilar; Marin-Luna, Marta","Lewis Acid-mediated Formation of 1,3-Disubstituted Spiro[cyclopropane-1,2'-indanes]: The Activating Effect of the Cyclopropane Walsh Orbital.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00090","","","0.71073","MoKα","","0.1464","0.1358","","","0.3388","0.3436","","","","","","1.311","","","","has coordinates","248508","2020-10-21","18:00:00",""
"4037988","22.887","0.0008","5.21437","0.00015","29.1121","0.0008","90","","98.91","0.003","90","","3432.35","0.18","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0997","0.0592","","","0.1591","0.1916","","","","","","1.07","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037989","14.7401","0.0006","7.7423","0.0003","17.8057","0.0007","90","","101.233","0.0016","90","","1993.1","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0858","0.07","","","0.2002","0.214","","","","","","1.062","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037990","9.7166","0.0005","22.6956","0.0008","9.8622","0.0005","90","","117.361","0.006","90","","1931.55","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 S2 -","- C19 H17 N O5 S2 -","- C76 H68 N4 O20 S8 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0664","0.0488","","","0.1251","0.1362","","","","","","1.07","","","","has coordinates,has disorder","248550","2020-10-21","18:00:00",""
"4037991","11.4566","0.00018","13.1897","0.0002","14.5799","0.0002","91.9477","0.0014","105.499","0.0014","97.6309","0.0014","2098.67","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br N O5 S -","- C21 H18 Br N O5 S -","- C84 H72 Br4 N4 O20 S4 -","4","2","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0846","0.0507","","","0.0997","0.1143","","","","","","1.03","","","","has coordinates,has disorder","248550","2020-10-21","18:00:00",""
"4037992","10.445","0.002","13.422","0.003","11.971","0.003","90","","90.181","0.008","90","","1678.2","0.6","301","2","301","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.1118","0.1072","","","0.3414","0.3498","","","","","","1.78","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037993","11.2221","0.0004","10.3384","0.0004","16.5378","0.0006","90","","90.805","0.003","90","","1918.5","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0807","0.0498","","","0.1356","0.1532","","","","","","1.118","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037994","25.6923","0.0019","15.3296","0.0009","5.3503","0.0005","90","","90","","90","","2107.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.1357","0.0665","","","0.1378","0.1684","","","","","","0.983","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037995","15.3107","0.0007","7.6551","0.0003","33.1427","0.0013","90","","90","","90","","3884.5","0.3","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0499","0.0441","","","0.1133","0.1167","","","","","","1.098","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4037996","9.2857","0.0002","9.7065","0.0003","16.1028","0.0004","72.507","0.002","76.823","0.002","87.285","0.002","1347.45","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 I N2 O2 -","- C11 H15 I N2 O2 -","- C44 H60 I4 N8 O8 -","4","2","","Dwadnia, Nejib; Lingua, Hugo; Mouysset, Dominique; Mimoun, Liliane; Siri, Didier; Bertrand, Michèle P; Feray, Laurence","Intermolecular addition of carbon-centered radicals to ynamides - A regio- and stereoselective route to persubstituted α-iodo-enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03255","","x-ray","0.71073","MoKα","","0.0675","0.0481","","","0.1143","0.1259","","","","","","1.047","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037997","9.5993","0.0011","10.1443","0.0011","22.025","0.004","90","","90","","90","","2144.8","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 I N O4 S -","- C23 H22 I N O4 S -","- C92 H88 I4 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.0555","0.0488","","","0.0853","0.0887","","","","","","1.082","","","","has coordinates","248670","2020-10-21","18:00:00",""
"4037998","9.4393","0.0012","10.9809","0.0017","12.203","0.0012","64.618","0.012","82.621","0.009","67.246","0.013","1052.8","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C48 H50 N2 O8 S2 -","2","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.0573","0.0441","","","0.0961","0.1046","","","","","","1.041","","","","has coordinates","248671","2020-10-21","18:00:00",""
"4037999","14.5776","0.0019","11.6775","0.001","15.46","0.002","90","","114.996","0.016","90","","2385.3","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N O4 S -","- C27 H29 N O4 S -","- C108 H116 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.1268","0.0804","","","0.1953","0.2267","","","","","","1.042","","","","has coordinates","248672","2020-10-21","18:00:00",""
"4038000","12.7601","0.0015","10.8088","0.0013","17.5412","0.0018","90","","90.12","0.004","90","","2419.3","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O4 S -","- C29 H27 N O4 S -","- C116 H108 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","","0.71073","MoKα","","0.0924","0.0509","","","0.1041","0.1251","","","","","","1.044","","","","has coordinates","248674","2020-10-21","18:00:00",""
"4038001","10.7361","0.0003","9.4099","0.0003","12.0507","0.0004","90","","114.088","0.004","90","","1111.42","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C50 H42 Br2 N4 O6 -","2","1","","Guo, Ya-Jun; Guo, Xin; Kong, De-Zhi; Lu, Huijie; Liu, Lantao; Hua, Yuan-Zhao; Wang, Min-Can","Catalytic Asymmetric Synthesis of Tetrahydrofuran Spirooxindoles via Dinuclear Zinc Catalyst.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03378","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.123","0.1326","","","","","","1.051","","","","has coordinates","248675","2020-10-21","18:00:00",""
"4038002","7.1359","0.0011","29.591","0.005","31.636","0.005","90","","90","","90","","6680.2","1.9","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H33 N -","- C47 H33 N -","- C376 H264 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0719","0.0657","","","0.155","0.1559","","","","","","1.011","","","","has coordinates","248676","2020-10-21","18:00:00",""
"4038003","14.6049","0.0008","15.0018","0.0008","19.0646","0.0011","90","","94.308","0.003","90","","4165.2","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","- C208 H152 B4 F16 N8 Pd2 -","2","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.067","0.0457","","","0.1134","0.1273","","","","","","1.047","","","","has coordinates","248677","2020-10-21","18:00:00",""
"4038004","15.0812","0.0002","34.7282","0.0006","7.2597","0.0001","90","","90","","90","","3802.22","0.1","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0508","0.0499","","","0.1169","0.1171","","","","","","1.041","","","","has coordinates,has disorder","248678","2020-10-21","18:00:00",""
"4038005","15.5055","0.0002","34.3595","0.0004","7.165","0.0001","90","","90","","90","","3817.23","0.09","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C26 H19 N -","- C26 H19 N -","- C208 H152 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0402","0.0335","","","0.0897","0.0935","","","","","","1.054","","","","has coordinates","248679","2020-10-21","18:00:00",""
"4038006","9.1474","0.0011","21.215","0.002","26.637","0.003","106.603","0.004","96.033","0.004","100.512","0.004","4802.3","0.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C116 H104 B2 F8 N4 Pd -","- C116 H104 B2 F8 N4 Pd -","- C232 H208 B4 F16 N8 Pd2 -","2","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0952","0.0676","","","0.1343","0.1371","","","","","","0.91","","","","has coordinates,has disorder","248680","2020-10-21","18:00:00",""
"4038007","8.6005","0.0001","17.6009","0.0003","12.3829","0.0002","90","","102.32","0.001","90","","1831.31","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.047","0.0458","","","0.1092","0.1104","","","","","","1.087","","","","has coordinates","248681","2020-10-21","18:00:00",""
"4038008","9.039","0.003","15.343","0.006","22.08","0.008","72.242","0.007","81.57","0.01","81.354","0.011","2866.6","1.8","151","","150.95","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","- C104 H76 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0808","0.0572","","","0.1023","0.1043","","","","","","0.905","","","","has coordinates","248682","2020-10-21","18:00:00",""
"4038009","13.0587","0.0006","15.6881","0.0008","21.3941","0.0009","108.741","0.002","106.946","0.002","99.339","0.002","3808.6","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C188 H132 B2 F8 N4 Pd -","- C188 H132 B2 F8 N4 Pd -","- C188 H132 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0668","0.0659","","","0.1584","0.1588","","","","","","0.988","","","","has coordinates","248683","2020-10-21","18:00:00",""
"4038010","8.8451","0.0003","14.3073","0.0005","19.328","0.0006","89.035","0.002","83.191","0.002","87.639","0.002","2426.46","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C122 H100 B2 F8 N4 Pd -","- C122 H100 B2 F8 N4 Pd -","- C122 H100 B2 F8 N4 Pd -","1","0.5","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.043","0.0374","","","0.0945","0.0979","","","","","","1.058","","","","has coordinates","248684","2020-10-21","18:00:00",""
"4038011","10.0957","0.0006","16.5247","0.0007","16.6164","0.0007","73.814","0.004","74.718","0.004","89.583","0.004","2561.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(isobutyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C51 H68 Cl3 N O8 -","- C51 H68 Cl3 N O8 -","- C102 H136 Cl6 N2 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0568","0.0515","","","0.1416","0.148","","","","","","1.066","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038012","15.8596","0.0007","18.1191","0.0008","20.983","0.0009","101.411","0.004","95.612","0.004","107.98","0.004","5539.7","0.5","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2,4,6,8-Tetra(n-heptyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C60.5 H90 O8.5 -","- C60.5 H90 O8.5 -","- C242 H360 O34 -","4","2","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.1169","0.0795","","","0.2143","0.2547","","","","","","1.028","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038013","11.605","0.0002","17.8076","0.0005","20.157","0.0005","83.974","0.002","77.65","0.002","75.603","0.002","3935.5","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,4,6,8-Tetra(n-undecyl)-1^5^,5^5^-dibromo-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol","","- C78 H121 Br2 Cl5 O8 -","- C78 H121 Br2 Cl5 O8 -","- C156 H242 Br4 Cl10 O16 -","2","1","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0781","0.0731","","","0.2174","0.2264","","","","","","1.046","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038014","12.5156","0.0004","18.1763","0.0005","13.11","0.0003","90","","94.555","0.003","90","","2972.94","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","2,4,6,8-Tetra(cyclohexyl)-5^4^,5^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,3^4^,3^6^-tetrol","","- C56 H72 O8 -","- C56 H72 O8 -","- C112 H144 O16 -","2","0.5","","Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.","One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers.","The Journal of organic chemistry","2020","85","6","4574","4580","10.1021/acs.joc.0c00128","","","1.54184","CuKα","","0.0671","0.0587","","","0.17","0.1784","","","","","","1.038","","","","has coordinates,has disorder","250090","2020-10-21","18:00:00",""
"4038015","8.7462","0.0003","11.3434","0.0005","14.7196","0.0005","74.989","0.003","74.857","0.003","69.55","0.004","1297.9","0.09","296.4","0.6","296.4","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl2 N O4 -","- C28 H25 Cl2 N O4 -","- C56 H50 Cl4 N2 O8 -","2","1","","Paria, Suva; Carletti, Edoardo; Marcon, Michela; Cherubini-Celli, Alessio; Mazzanti, Andrea; Rancan, Marzio; Dell'Amico, Luca; Bonchio, Marcella; Companyó, Xavier","Light-triggered Catalytic Asymmetric Allylic Benzylation with Photogenerated C-Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00175","","x-ray","0.71073","MoKα","","0.1113","0.0747","","","0.1993","0.2285","","","","","","1.039","","","","has coordinates,has disorder","248686","2020-10-21","18:00:00",""
"4038016","13.265","0.004","14.877","0.004","17.814","0.004","90","","107.651","0.008","90","","3350","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 F5 N3 O2 -","- C34 H43 F5 N3 O2 -","- C136 H172 F20 N12 O8 -","4","1","","Khan, Mehebub Ali; Ghosh, Soumen; Bera, Sachinath; Hoque, Anamika; Sk, Ismail; Ansari, Shagufi Naz; Mobin, Shaikh M.; Alam, Md Akhtarul","A Crystallographic Elucidation of Stimuli Controlled Molecular Rotation for Reversible Sol-Gel Transformation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02944","","","0.71073","MoKα","","0.1006","0.0916","","","0.309","0.3267","","","","","","1.208","","","","has coordinates","248687","2020-10-21","18:00:00",""
"4038017","6.9689","0.0004","24.8459","0.0012","12.2965","0.0006","90","","102.347","0.005","90","","2079.88","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F5 N3 O3 -","- C21 H16 F5 N3 O3 -","- C84 H64 F20 N12 O12 -","4","1","","Khan, Mehebub Ali; Ghosh, Soumen; Bera, Sachinath; Hoque, Anamika; Sk, Ismail; Ansari, Shagufi Naz; Mobin, Shaikh M.; Alam, Md Akhtarul","A Crystallographic Elucidation of Stimuli Controlled Molecular Rotation for Reversible Sol-Gel Transformation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02944","","","0.71073","MoKα","","0.0835","0.064","","","0.1778","0.195","","","","","","1.111","","","","has coordinates","248688","2020-10-21","18:00:00",""
"4038018","12.2331","0.0003","8.2123","0.0002","14.7327","0.0003","90","","105.743","0.001","90","","1424.55","0.06","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0691","0.0466","","","0.123","0.1417","","","","","","1.041","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038019","13.1743","0.001","8.2226","0.0006","13.5","0.001","90","","111.313","0.003","90","","1362.4","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0581","0.0406","","","0.1004","0.1115","","","","","","1.016","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038020","13.194","0.003","8.3516","0.0017","13.506","0.003","90","","110.722","0.013","90","","1392","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.1033","0.052","","","0.1333","0.1647","","","","","","1.014","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038021","4.623","0.005","22.358","0.005","13.545","0.005","90","0.005","96.486","0.005","90","0.005","1391.1","1.6","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.1083","0.0532","","","0.1479","0.1866","","","","","","1.026","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038022","17.0774","0.0015","3.9635","0.0004","59.803","0.006","90","","90.802","0.007","90","","4047.4","0.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C252 H156 N12 -","12","3","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.2123","0.0833","","","0.204","0.2702","","","","","","1.37","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038023","9.3677","0.0002","8.1391","0.0002","11.6155","0.0003","90","","99.766","0.001","90","","872.79","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0553","0.0463","","","0.1304","0.1405","","","","","","1.107","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038024","11.0286","0.0006","5.467","0.0003","13.9855","0.0008","90","","91.742","0.003","90","","842.84","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0928","0.0773","","","0.2027","0.2241","","","","","","1.049","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038025","10.979","0.003","5.4664","0.001","13.966","0.002","90","","91.652","0.008","90","","837.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0628","0.0404","","","0.1031","0.1164","","","","","","1.037","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038026","3.7918","0.0012","9.006","0.003","24.601","0.011","90","","90.484","0.019","90","","840.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71073","MoKα","","0.0679","0.0425","","","0.0793","0.086","","","","","","0.867","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038027","5.589","0.005","20.882","0.005","7.697","0.005","90","0.005","103.696","0.005","90","0.005","872.8","1","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N -","- C13 H8 N -","- C52 H32 N4 -","4","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","0.71069","MoKα","","0.0552","0.0427","","","0.1191","0.1309","","","","","","1.032","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038028","12.53","0.003","10.289","0.002","13.803","0.003","90","","104.918","0.014","90","","1719.5","0.7","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N -","- C13 H8 N -","- C104 H64 N8 -","8","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.1348","0.1154","","","0.3096","0.3471","","","","","","1.496","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038029","12.2463","0.0003","30.2305","0.0009","9.5734","0.0002","90","","95.933","0.002","90","","3525.2","0.16","172.99","0.1","172.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0649","0.0415","","","0.0987","0.1166","","","","","","0.988","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038030","12.305","0.0004","30.386","0.0013","9.6833","0.0003","90","","96.608","0.003","90","","3596.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C208 H128 N16 -","8","2","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54184","CuKα","","0.0876","0.0511","","","0.1249","0.1539","","","","","","1.004","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038031","9.6837","0.001","12.097","0.0012","12.2653","0.0012","89.133","0.006","66.936","0.005","75.404","0.005","1273.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C68 H64 N4 -","2","1","","Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.","Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.","The Journal of organic chemistry","2020","85","6","4256","4266","10.1021/acs.joc.9b03421","","","1.54178","CuKα","","0.0931","0.069","","","0.193","0.2196","","","","","","1.025","","","","has coordinates","250096","2020-10-21","18:00:00",""
"4038032","6.869","0.0003","18.7339","0.0008","19.4363","0.0009","69.1744","0.0014","87.7497","0.0015","81.4656","0.0015","2311.59","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C16.9987 H20.9977 N O3.99987 -","- C101.992 H125.986 N6 O23.9992 -","6","3","","Saito, Fumito; Becker, Jonathan; Schreiner, Peter R.","Synthesis and Conformational Analysis of Parent Perhydroazulenes Reveals an Energetically Preferred cis Ring Fusion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00167","","","0.71073","MoKα","","0.0776","0.0486","","","0.1075","0.1218","","","","","","1.02","","","","has coordinates,has disorder","248987","2020-10-21","18:00:00",""
"4038033","5.9709","0.0003","10.3213","0.0005","11.0614","0.0006","112.027","0.0017","103.994","0.0019","99.262","0.002","588.69","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 S2 -","- C12 H20 S2 -","- C24 H40 S4 -","2","1","","Saito, Fumito; Becker, Jonathan; Schreiner, Peter R.","Synthesis and Conformational Analysis of Parent Perhydroazulenes Reveals an Energetically Preferred cis Ring Fusion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00167","","","0.71073","MoKα","","0.0437","0.0333","","","0.0777","0.0815","","","","","","1.047","","","","has coordinates","248988","2020-10-21","18:00:00",""
"4038034","5.712","0.0012","11.113","0.002","11.571","0.002","104.605","0.003","100.4","0.003","103.087","0.003","669.9","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Feng, Yangyang; Yang, Chenglin; Deng, Qingfu; Xiong, Ruimei; Zhang, Xiaohui; Xiong, Yan","Synthesis of anti Tricyclic Morpholine Derivatives through Iodine(III)-Mediated Intramolecular Umpolung Cycloaddition of Olefins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00286","","","0.71073","MoKα","","0.0714","0.0559","","","0.1483","0.1614","","","","","","1.053","","","","has coordinates","249091","2020-10-21","18:00:00",""
"4038035","5.312","0.002","11.535","0.005","13.242","0.006","90","","90","","90","","811.4","0.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Hocine, Sofiane; Berger, Gilles; Hanessian, Stephen","Design and Synthesis of Backbone-Fused, Conformationally Constrained Morpholine-Proline Chimeras.","The Journal of organic chemistry","2020","85","6","4237","4247","10.1021/acs.joc.9b03413","","x-ray","1.54178","CuKα","","0.1054","0.0649","","","0.1316","0.1579","","","","","","0.911","","","","has coordinates","250094","2020-10-21","18:00:00",""
"4038036","5.1388","0.0003","19.7529","0.0012","11.7294","0.0008","90","","100.519","0.002","90","","1170.6","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Yin, Jinya; Landward, Michael B.; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Amidonaphthoquinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03417","","","0.71073","MoKα","","0.0594","0.0415","","","0.1037","0.113","","","","","","1.031","","","","has coordinates","249093","2020-10-21","18:00:00",""
"4038037","10.6981","0.0013","5.3875","0.0006","22.901","0.003","90","","100.847","0.003","90","","1296.3","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Yin, Jinya; Landward, Michael B.; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Amidonaphthoquinones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03417","","","0.71073","MoKα","","0.0536","0.0416","","","0.1122","0.121","","","","","","1.031","","","","has coordinates","249094","2020-10-21","18:00:00",""
"4038038","4.8245","0.0005","13.1695","0.0012","26.813","0.003","90","","90.043","0.01","90","","1703.6","0.3","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Igawa, Kazunobu; Kawasaki, Yuuya; Nozaki, Sora; Kokan, Naoto; Tomooka, Katsuhiko","Ozone Oxidation of Silylalkene: Mechanistic Study and Application for the Synthesis of Silacarboxylic Acid Derivatives.","The Journal of organic chemistry","2020","85","6","4165","4171","10.1021/acs.joc.9b03350","","x-ray","0.71073","MoKα","","0.1219","0.0715","","","0.17","0.193","","","","","","1.032","","","","has coordinates,has disorder","250089","2020-10-21","18:00:00",""
"4038039","14.7524","0.0005","5.3118","0.0001","12.5363","0.0003","90","","101.064","0.003","90","","964.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Br N4 O -","- C9 H5 Br N4 O -","- C36 H20 Br4 N16 O4 -","4","1","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0586","0.0576","","","0.1528","0.1559","","","","","","1.073","","","","has coordinates","249155","2020-10-21","18:00:00",""
"4038040","8.3641","0.0003","20.06","0.0007","24.723","0.0007","90","","93.043","0.003","90","","4142.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N2 O3.5 S0.5 -","- C25 H21 N2 O3.5 S0.5 -","- C200 H168 N16 O28 S4 -","8","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0728","0.0592","","","0.1672","0.1872","","","","","","1.052","","","","has coordinates","249156","2020-10-21","18:00:00",""
"4038041","7.4324","0.0003","14.3291","0.0005","15.9268","0.0007","108.01","0.004","94.612","0.003","103.904","0.003","1543.68","0.12","100","3","100","3","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F3 N2 O4 S -","- C15 H11 F3 N2 O4 S -","- C60 H44 F12 N8 O16 S4 -","4","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0552","0.0478","","","0.1318","0.1385","","","","","","1.029","","","","has coordinates","249157","2020-10-21","18:00:00",""
"4038042","7.6228","0.0001","13.7609","0.0001","13.7806","0.0001","85.032","0.001","82.433","0.001","80.693","0.001","1410.93","0.02","100","3","100","3","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Br N4 O2 -","- C14 H11 Br N4 O2 -","- C56 H44 Br4 N16 O8 -","4","2","","Funt, Liya D.; Krivolapova, Yulia V.; Khoroshilova, Olesya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","2H-Azirine-2-carbonyl Azides: Preparation and Use as N-Heterocyclic Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03367","","x-ray","1.54184","CuKα","","0.0347","0.0344","","","0.0893","0.0896","","","","","","1.052","","","","has coordinates","249158","2020-10-21","18:00:00",""
"4038043","11.1583","0.0016","25.873","0.003","20.17","0.002","90","","105.729","0.013","90","","5605","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Br N O7 Si -","- C25 H33 Br N O7 Si -","- C200 H264 Br8 N8 O56 Si8 -","8","2","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","1.54184","CuKα","","0.2187","0.1066","","","0.3096","0.4058","","","","","","1.075","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038044","24.66","0.002","32.376","0.003","14.076","0.0013","90","","90","","90","","11238.2","1.7","298","2","298.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C100 H142 Br4 Cl2 N4 O28 Si4 -","- C101 H142 Br4 Cl2 N4 O28 Si4 -","- C404 H568 Br16 Cl8 N16 O112 Si16 -","4","0.5","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","0.71073","MoKα","","0.1942","0.0565","","","0.1287","0.1563","","","","","","0.764","","","","has coordinates","249182","2020-10-21","18:00:00",""
"4038045","9.087","0.0008","11.7793","0.0011","9.6187","0.0009","90","","111.942","0.004","90","","954.99","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N O6 -","- C20 H24 N O6 -","- C40 H48 N2 O12 -","2","1","","Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao","Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00028","","","1.54178","CuKα","","0.1794","0.1157","","","0.2918","0.3854","","","","","","0.992","","","","has coordinates","249183","2020-10-21","18:00:00",""
"4038046","10.122","0.013","5.827","0.005","8.812","0.011","90","","106.72","0.06","90","","497.8","1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H2 F2 N4 -","- C12 H2 F2 N4 -","- C24 H4 F4 N8 -","2","0.25","","Liu, En-Chih; Topczewski, Joseph J.","Gram-Scale Synthesis of 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F<sub>2</sub>-TCNQ).","The Journal of organic chemistry","2020","85","6","4560","4564","10.1021/acs.joc.0c00053","","","0.71073","MoKα","","0.0414","0.0339","","","0.0956","0.101","","","","","","1.102","","","","has coordinates","250095","2020-10-21","18:00:00",""
"4038047","5.8237","0.0003","8.8525","0.0004","19.1618","0.001","90","","92.943","0.003","90","","986.57","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 F N O2 S -","- C9 H12 F N O2 S -","- C36 H48 F4 N4 O8 S4 -","4","1","","Emenike, Bright U.; Dhami, Simran S.","Determining the Ionization Constants of Organic Acids Using Fluorine Gauche Effects.","The Journal of organic chemistry","2020","85","7","4896","4900","10.1021/acs.joc.0c00062","","","0.71073","MoKα","","0.0292","0.0283","","","0.0808","0.0817","","","","","","1.049","","","","has coordinates","250110","2020-10-21","18:00:00",""
"4038048","12.2123","0.0005","24.8626","0.001","4.7975","0.0002","90","","90","","90","","1456.66","0.1","100","2","100.03","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0563","0.043","","","0.0959","0.1021","","","","","","1.056","","","","has coordinates","249211","2020-10-21","18:00:00",""
"4038049","4.8637","0.0001","11.1251","0.0003","15.4131","0.0004","90","","90","","90","","833.99","0.04","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0286","0.0274","","","0.0634","0.0641","","","","","","1.079","","","","has coordinates","249212","2020-10-21","18:00:00",""
"4038050","6.2002","0.0002","8.7727","0.0003","19.3378","0.0007","101.692","0.001","93.848","0.001","90.292","0.001","1027.5","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Na2 O10 -","- C18 H26 Na2 O10 -","- C36 H52 Na4 O20 -","2","1","","Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo","Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03320","","","1.54178","CuKα","","0.0297","0.0288","","","0.0747","0.0753","","","","","","1.058","","","","has coordinates","249241","2020-10-21","18:00:00",""
"4038051","6.2535","0.0002","38.0761","0.0013","9.2033","0.0003","90","","109.594","0.001","90","","2064.49","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N Na2 O8 -","- C20 H23 N Na2 O8 -","- C80 H92 N4 Na8 O32 -","4","1","","Eronen, Aleksi E. K.; Mannisto, Jere K.; Moslova, Karina; Nieger, Martin; Heliövaara, Eeva; Repo, Timo","Synthesis of Diaryl Hydroxyl Dicarboxylic Acids from Amino Acids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03320","","","1.54178","CuKα","","0.0325","0.0317","","","0.0799","0.0806","","","","","","1.089","","","","has coordinates","249241","2020-10-21","18:00:00",""
"4038052","9.2518","0.0009","13.2729","0.0013","20.695","0.002","90","","90.325","0.002","90","","2541.3","0.4","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N3 -","- C20 H15 Cl N3 -","- C120 H90 Cl6 N18 -","6","3","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Synthesis of 4-Azaindolines Using Phase-Transfer Catalysis via an Intramolecular Mannich Reaction.","The Journal of organic chemistry","2020","85","6","4047","4057","10.1021/acs.joc.9b03025","","","0.71073","MoKα","","0.0966","0.0591","","","0.1325","0.1538","","","","","","1.019","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4038053","7.532","0.007","9.197","0.009","22.1","0.02","90","","90","","90","","1531","2","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F3 N2 O2 S -","- C17 H13 F3 N2 O2 S -","- C68 H52 F12 N8 O8 S4 -","4","1","","Wang, Wei; Xiong, Wenhui; Wang, Jinping; Wang, Qiu-An; Yang, Wen","Brønsted Acid-Catalyzed Asymmetric Friedel-Crafts Alkylation of Indoles with Benzothiazole-Bearing Trifluoromethyl Ketone Hydrates.","The Journal of organic chemistry","2020","85","6","4398","4407","10.1021/acs.joc.0c00116","","","0.71073","MoKα","","0.0535","0.0414","","","0.0873","0.0929","","","","","","1.082","","","","has coordinates","250093","2020-10-21","18:00:00",""
"4038054","12.4242","0.0007","7.1204","0.0004","14.6853","0.0007","90","","94.29","0.007","90","","1295.5","0.12","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Niki, Misaki; Hirata, Yushi; Nakazaki, Atsuo; Wu, Jing; Kawagishi, Hirokazu; Nishikawa, Toshio","Biomimetic Synthesis of Chaxine and its Related Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03482","","","1.54187","CuKα","","0.1041","0.0655","","","0.1583","0.1798","","","","","","1.036","","","","has coordinates","249337","2020-10-21","18:00:00",""
"4038055","16.003","0.003","7.6071","0.0015","11.779","0.002","90","","108.82","0.03","90","","1357.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F0 N2 O0 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Jia, Chunqi; Wu, Nini; Cai, Xiaofeng; Li, Gang; Zhong, Lei; Zou, Lei; Cui, Xiuling","Ruthenium-Catalyzed <i>meta</i>-Selective C<sub>Ar</sub>-H Bond Formylation of Arenes.","The Journal of organic chemistry","2020","85","6","4536","4542","10.1021/acs.joc.0c00007","","","0.71073","MoKα","","0.108","0.081","","","0.2426","0.2565","","","","","","1.087","","","","has coordinates","250091","2020-10-21","18:00:00",""
"4038056","7.789","0.004","10.907","0.006","20.566","0.013","90","","90","","90","","1747.2","1.7","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","oxa[5]helicene 1a","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]furan","","- C26 H15 F O -","- C26 H15 F O -","- C104 H60 F4 O4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","","0.71073","MoKα","","0.0416","0.0372","","","0.1107","0.1164","","","","","","0.95","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038057","12.8863","0.0005","18.6245","0.0007","7.636","0.0003","90","","97.048","0.002","90","","1818.8","0.12","173","2","173.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]thiophene","","- C26 H15 F S -","- C26 H15 F S -","- C104 H60 F4 S4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","x-ray","0.71073","MoKα","","0.0434","0.0376","","","0.1244","0.1323","","","","","","0.985","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038058","8.068","0.0003","8.1779","0.0003","9.016","0.0004","74.336","0.003","74.502","0.004","87.802","0.003","551.58","0.04","140","0.8","140","1","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","- C27 H26 Fe N O P -","1","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0352","0.0329","","","0.0814","0.0823","","","","","","1.126","","","","has coordinates","249371","2020-10-21","18:00:00",""
"4038059","8.22498","0.00012","8.22498","0.00012","36.194","0.0007","90","","90","","90","","2448.53","0.07","140","0.6","140","1","","","","","","","","6","P 41","P 4w","76","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0385","0.0329","","","0.0647","0.0662","","","","","","1.077","","","","has coordinates","249372","2020-10-21","18:00:00",""
"4038060","9.2848","0.0001","10.9249","0.0002","23.5739","0.0004","90","","90","","90","","2391.23","0.07","140","0.5","140","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0267","0.0255","","","0.0638","0.0643","","","","","","1.105","","","","has coordinates","249373","2020-10-21","18:00:00",""
"4038061","16.5513","0.0001","9.6657","0.0001","25.6444","0.0002","90","","90","","90","","4102.59","0.06","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C152 H184 N56 O16 S8 -","8","2","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0378","0.037","","","0.0979","0.0987","","","","","","1.031","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038062","6.2963","0.0002","12.2014","0.0003","12.3922","0.0004","89.249","0.002","79.699","0.003","81.512","0.003","926.32","0.05","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Cl N4 O2 S -","- C18 H21 Cl N4 O2 S -","- C36 H42 Cl2 N8 O4 S2 -","2","1","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0336","0.0326","","","0.0898","0.0905","","","","","","1.059","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038063","17.907","0.003","9.0483","0.0014","25.336","0.005","90","","109.74","0.02","90","","3863.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 F6 N7 O12 -","- C34 H35 F6 N7 O12 -","- C136 H140 F24 N28 O48 -","4","1","","Niedbała, Patryk; Majdecki, Maciej; Dąbrowa, Kajetan; Jurczak, Janusz","Selective Carboxylate Recognition Using Urea-Functionalized Unclosed Cryptands: Mild Synthesis and Complexation Studies.","The Journal of organic chemistry","2020","85","7","5058","5064","10.1021/acs.joc.9b03082","","","1.54184","CuKα","","0.2292","0.1375","","","0.3305","0.4233","","","","","","1.068","","","","has coordinates,has disorder","250113","2020-10-21","18:00:00",""
"4038064","5.7052","0.0002","48.2715","0.0012","7.5578","0.0002","90","","106.145","0.003","90","","1999.32","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Br N5 -","- C22 H22 Br N5 -","- C88 H88 Br4 N20 -","4","1","","Kour, Jaspreet; Venkateswarlu, Vunnam; Verma, Praveen K.; Hussain, Yaseen; Dubey, Gurudutt; Bharatam, Prasad V.; Sahoo, Subash C.; Sawant, Sanghapal D.","Oxone-DMSO Triggered Methylene Insertion and C(sp<sup>2</sup>)-C(sp<sup>3</sup>)-H-C(sp<sup>2</sup>) Bond Formation to Access Functional Bis-Heterocycles.","The Journal of organic chemistry","2020","85","7","4951","4962","10.1021/acs.joc.9b03477","","x-ray","0.71073","MoKα","","0.0696","0.0457","","","0.0878","0.0949","","","","","","1.037","","","","has coordinates,has disorder","250115","2020-10-21","18:00:00",""
"4038066","8.26368","0.00003","7.69518","0.00004","12.43341","0.00005","90","","95.7545","0.0004","90","","786.662","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","x-ray","1.54184","CuKα","","0.0265","0.0265","","","0.0705","0.0706","","","","","","1.112","","","","has coordinates","250114","2020-10-21","18:00:00",""
"4038067","31.4966","0.0006","12.8222","0.0003","12.3149","0.0003","90","","109.069","0.001","90","","4700.53","0.18","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 O13 -","- C20 H23 O13 -","- C160 H184 O104 -","8","1","","Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.","The Journal of organic chemistry","2020","85","7","4973","4980","10.1021/acs.joc.0c00147","","","1.54178","CuKα","","0.0636","0.0604","","","0.1796","0.1857","","","","","","1.044","","","","has coordinates,has disorder","250114","2020-10-21","18:00:00",""
"4038069","13.2254","0.0003","7.5242","0.0002","30.3701","0.0008","90","","90","","90","","3022.15","0.13","190","2","190","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","1","","Bhujanga Rao, Chitturi; Zhang, Ning; Hu, Jiana; Wang, Yu; Liang, Yongjiu; Zhang, Rui; Yuan, Jingwen; Dong, Dewen","Tf<sub>2</sub>O-Mediated Cyclization of α-Acyl-β-(2-aminopyridinyl)acrylamides: Access to N-Substituted 4<i>H</i>-Pyrido[1,2-<i>a</i>]pyrimidin-4-imines.","The Journal of organic chemistry","2020","85","7","4695","4705","10.1021/acs.joc.9b03495","","","1.54178","CuKα","","0.0403","0.0372","","","0.0965","0.0998","","","","","","1.089","","","","has coordinates","250099","2020-10-21","18:00:00",""
"4038070","15.9019","0.0011","15.189","0.001","9.7547","0.0004","90","","95.855","0.006","90","","2343.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N4 O2 S -","- C27 H25 F N4 O2 S -","- C108 H100 F4 N16 O8 S4 -","4","1","","De, Pinaki Bhusan; Atta, Sayan; Pradhan, Sourav; Banerjee, Sonbidya; Shah, Tariq A.; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed C-7 C-C Coupling of Indolines with Aziridines: Merging C-H Activation and Ring Opening.","The Journal of organic chemistry","2020","85","7","4785","4794","10.1021/acs.joc.0c00010","","","0.71073","MoKα","","0.1295","0.0745","","","0.1685","0.2036","","","","","","0.956","","","","has coordinates","250100","2020-10-21","18:00:00",""
"4038071","7.742","0.0019","6.4525","0.0013","11.1204","0.0018","90","","92.759","0.01","90","","554.9","0.2","566","2","566","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N8 O8 -","- C4 H10 N8 O8 -","- C8 H20 N16 O16 -","2","0.5","","Lease, Nicholas; Kay, Lisa M.; Brown, Geoffrey W.; Chavez, David E.; Robbins, David; Byrd, Edward F. C.; Imler, Gregory H.; Parrish, Damon A.; Manner, Virginia W.","Synthesis of Erythritol Tetranitrate (ETN) Derivatives: Functional Group Tuning of Explosive Sensitivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03344","","","1.54178","CuKα","","0.0397","0.0389","","","0.1017","0.1024","","","","","","1.087","","","","has coordinates","249510","2020-10-21","18:00:00",""
"4038072","9.6553","0.0002","11.4","0.0003","11.05","0.0003","90","","109.035","0.001","90","","1149.77","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C52 H72 N8 O4 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0685","0.0503","","","0.1331","0.1491","","","","","","1.012","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038073","30.3546","0.0018","5.078","0.0003","20.1975","0.0012","90","","113.604","0.001","90","","2852.8","0.3","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0384","0.0362","","","0.093","0.0949","","","","","","1.043","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038074","12.9004","0.0002","7.7842","0.0001","13.685","0.0003","90","","104.82","0.001","90","","1328.52","0.04","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.058","0.048","","","0.1295","0.1367","","","","","","1.04","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038075","9.1272","0.0002","9.8101","0.0002","19.409","0.0005","81.582","0.001","82.675","0.001","85.338","0.001","1701.63","0.07","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","2","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0562","0.0473","","","0.1343","0.1431","","","","","","1.003","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038076","5.4537","0.0001","10.2807","0.0003","14.458","0.0004","71.75","0.001","81.119","0.001","85.2","0.001","760.08","0.03","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Outin, Johanne; Quellier, Pauline; Bélanger, Guillaume","Sequential One-Pot Vilsmeier-Haack and Organocatalyzed Mannich Cyclizations to Functionalized Benzoindolizidines and Benzoquinolizidines.","The Journal of organic chemistry","2020","85","7","4712","4729","10.1021/acs.joc.9b03449","","x-ray","1.54186","CuKα","","0.0528","0.0396","","","0.1026","0.1097","","","","","","1.066","","","","has coordinates","250101","2020-10-21","18:00:00",""
"4038077","5.7211","0.0004","8.2943","0.0006","11.0522","0.0007","92.866","0.004","91.401","0.004","99.979","0.004","515.58","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","- C24 H14 F6 N2 O2 -","1","0.5","","Das, Tamal Kanti; Madica, Krishnaprasad; Krishnan, Jagadeesh; Marelli, Udaya Kiran; Biju, Akkattu T.","N-Heterocyclic Carbene Catalysis Exploiting Oxidative Imine Umpolung for the Generation of Imidoyl Azoliums.","The Journal of organic chemistry","2020","85","7","5114","5121","10.1021/acs.joc.0c00360","","","0.71073","MoKα","","0.0706","0.041","","","0.1031","0.1193","","","","","","1.03","","","","has coordinates","250104","2020-10-21","18:00:00",""
"4038078","11.4534","0.0006","27.6502","0.0015","9.7523","0.0005","90","","90","","90","","3088.4","0.3","150","","150","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C176 H120 N24 -","8","1","","Yee, Nathan; Dadvand, Afshin; Perepichka, Dmitrii F.","Serendipitous Formation of Semiconducting Semi-Nindigo Indigoid by the Degradation of Diindolopyrrole.","The Journal of organic chemistry","2020","85","7","5073","5077","10.1021/acs.joc.0c00054","","x-ray","1.34139","GaKα","","0.0663","0.0551","","","0.1256","0.1328","","","","","","1.107","","","","has coordinates","250111","2020-10-21","18:00:00",""
"4038079","12.0036","0.0003","24.1961","0.0006","15.6222","0.0004","90","","107.779","0.003","90","","4320.6","0.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 B2 N O4 -","- C20 H33 B2 N O4 -","- C160 H264 B16 N8 O32 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","1.54184","CuKα","","0.0652","0.0607","","","0.162","0.1688","","","","","","1.058","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038080","15.7533","0.0006","20.3581","0.0009","28.1812","0.0012","90","","90","","90","","9037.9","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Al N5 -","- C42 H55 Al N5 -","- C336 H440 Al8 N40 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","0.71073","MoKα","","0.1481","0.0917","","","0.2864","0.345","","","","","","1.055","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038081","10.0988","0.0002","9.9019","0.0002","13.2271","0.0003","90","","97.768","0.001","90","","1310.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","0.71073","MoKα","","0.0372","0.0318","","","0.0758","0.0794","","","","","","1.052","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038082","8.3713","0.001","12.9078","0.0015","13.4996","0.0015","73.9","0.004","73.965","0.004","79.977","0.004","1339.4","0.3","274","2","274","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br N2 O5 S -","- C28 H29 Br N2 O5 S -","- C56 H58 Br2 N4 O10 S2 -","2","1","","Han, Pan; Mao, Zhuo-Ya; Li, Ming; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Synthesis of Amide Enol Carbamates and Carbonates through Cu(OTf)<sub>2</sub>-Catalyzed Reactions of Ynamides with <i>t</i>-Butyl Carbamates/Carbonates.","The Journal of organic chemistry","2020","85","7","4740","4752","10.1021/acs.joc.9b03512","","","1.54178","cukα","","0.0486","0.0472","","","0.1154","0.1178","","","","","","1.061","","","","has coordinates","250116","2020-10-21","18:00:00",""
"4038083","12.1056","0.0003","18.4895","0.0005","27.4703","0.0007","90","","96.269","0.002","90","","6111.8","0.3","220","0.1","220","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C56 H88.2 Cl3 F0.9 N8 O9.1 -","- C224 H352.8 Cl12 F3.6 N32 O36.4 -","4","1","","Delecluse, Magalie; Colomban, Cédric; Chatelet, Bastien; Chevallier-Michaud, Sabine; Moraleda, Delphine; Dutasta, Jean-Pierre; Martinez, Alexandre","Highly Selective Fluoride Recognition by a Small Tris-Urea Covalent Cage.","The Journal of organic chemistry","2020","85","7","4706","4711","10.1021/acs.joc.9b03429","","x-ray","1.54184","CuKα","","0.1206","0.0894","","","0.2549","0.287","","","","","","1.021","","","","has coordinates,has disorder","250105","2020-10-21","18:00:00",""
"4038084","7.3636","0.001","27.079","0.004","11.2689","0.0015","90","","95.314","0.002","90","","2237.3","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C92 H144 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0665","0.0428","","","0.0891","0.0989","","","","","","1.02","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038085","10.142","0.003","11.29","0.003","13.629","0.003","83.009","0.003","73.442","0.003","70.541","0.003","1409.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H46 O5 Si -","- C27 H46 O5 Si -","- C54 H92 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0461","0.0407","","","0.1144","0.1197","","","","","","1.01","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038086","13.152","0.002","16.857","0.003","12.706","0.002","90","","107.727","0.003","90","","2683.2","0.8","296","2","296.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C27 H42 O7 -","- C27 H42 O7 -","- C108 H168 O28 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1257","0.0773","","","0.1928","0.231","","","","","","1.026","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038087","9.5936","0.0012","11.1608","0.0015","14.6705","0.0018","69.414","0.007","79.03","0.007","68.15","0.007","1361.7","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H42 O5 Si -","- C25 H42 O5 Si -","- C50 H84 O10 Si2 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0658","0.0475","","","0.1211","0.1335","","","","","","1.028","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038088","13.878","0.007","17.626","0.008","20.717","0.01","90","","97.877","0.009","90","","5020","4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C200 H304 O40 -","8","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1122","0.0566","","","0.1289","0.1567","","","","","","1.003","","","","has coordinates,has disorder","250108","2020-10-21","18:00:00",""
"4038089","11.6702","0.0002","18.6897","0.0003","21.5803","0.0004","90","","90","","90","","4706.93","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C200 H320 O40 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","1.54178","CuKα","","0.0421","0.0391","","","0.1089","0.1113","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4038090","8.674","0.001","11.5004","0.0013","23.904","0.003","90","","90","","90","","2384.5","0.5","150","2","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O6 -","- C25 H40 O6 -","- C100 H160 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0617","0.0383","","","0.0977","0.1138","","","","","","0.676","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038091","8.2593","0.0009","28.326","0.003","10.769","0.0012","90","","90.695","0.001","90","","2519.3","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O5 Si -","- C24 H42 O5 Si -","- C96 H168 O20 Si4 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0443","0.0372","","","0.0925","0.0964","","","","","","1.043","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038092","8.5906","0.001","7.0884","0.0008","20.553","0.002","90","","90","","90","","1251.5","0.2","100","2","100.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C56 H64 O24 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0546","0.0425","","","0.0991","0.1043","","","","","","1.075","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4038093","7.8382","0.0005","16.7731","0.0011","9.7678","0.0006","90","","101.18","0.001","90","","1259.81","0.14","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0394","0.0363","","","0.0947","0.0975","","","","","","1.039","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038094","13.1931","0.0007","9.645","0.0005","15.711","0.0008","90","","98.127","0.001","90","","1979.11","0.18","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0422","0.0363","","","0.0929","0.0966","","","","","","1.045","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038095","32.983","0.005","19.298","0.003","31.32","0.004","90","","98.677","0.002","90","","19707","5","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N2 O4 -","- C27 H38 N2 O4 -","- C864 H1216 N64 O128 -","32","4","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.1303","0.0688","","","0.1778","0.2284","","","","","","1.014","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038096","5.9092","0.0007","7.1583","0.0009","9.1902","0.0011","92.766","0.001","105.442","0.001","108.026","0.001","352.68","0.07","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H12 O3 -","- C7 H12 O3 -","- C14 H24 O6 -","2","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0346","0.0339","","","0.0902","0.0908","","","","","","1.079","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038097","13.0633","0.0008","7.8253","0.0005","13.0916","0.0008","90","","106.413","0.001","90","","1283.74","0.14","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","2","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0242","0.0231","","","0.0565","0.0572","","","","","","1.041","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038098","13.1127","0.0007","7.7038","0.0004","14.0568","0.0007","90","","97.859","0.004","90","","1406.65","0.13","170","0.1","170","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H35 F3 O6 Si -","- C25 H35 F3 O6 Si -","- C50 H70 F6 O12 Si2 -","2","1","","Kim, Jae Hyun; Song, Yeonghun; Kim, Min Jung; Kim, Sanghee","Asymmetric Total Synthesis of Inthomycins A, B, and C.","The Journal of organic chemistry","2020","85","7","4795","4806","10.1021/acs.joc.0c00017","","x-ray","0.71073","MoKα","","0.0658","0.0484","","","0.0953","0.1043","","","","","","1.06","","","","has coordinates","250117","2020-10-21","18:00:00",""
"4038099","9.7717","0.0016","8.6052","0.0011","6.3132","0.0009","90","","90","","90","","530.86","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 N O2 S -","- C4 H7 N O2 S -","- C16 H28 N4 O8 S4 -","4","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0447","0.036","","","0.09","0.0949","","","","","","1.057","","","","has coordinates","249676","2020-10-21","18:00:00",""
"4038100","6.4204","0.0011","11.0682","0.0019","8.9552","0.0011","90","","96.211","0.005","90","","632.64","0.17","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 N O2 S -","- C5 H9 N O2 S -","- C20 H36 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0339","0.0304","","","0.086","0.0885","","","","","","1.018","","","","has coordinates","249678","2020-10-21","18:00:00",""
"4038101","5.4761","0.0002","8.8259","0.0003","6.3408","0.0002","90","","101.156","0.002","90","","300.67","0.018","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","0.5","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0311","0.0295","","","0.0787","0.0807","","","","","","1.006","","","","has coordinates","249679","2020-10-21","18:00:00",""
"4038102","6.6488","0.0003","9.8314","0.0005","11.561","0.0006","90","","90","","90","","755.71","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C24 H44 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0803","0.0451","","","0.089","0.1014","","","","","","0.923","","","","has coordinates,has disorder","249680","2020-10-21","18:00:00",""
"4038103","20.487","0.0009","7.8317","0.0003","10.8348","0.0004","90","","121.185","0.004","90","","1487.22","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C48 H88 N8 O16 S8 -","8","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0547","0.0402","","","0.0934","0.0976","","","","","","0.971","","","","has coordinates","249681","2020-10-21","18:00:00",""
"4038104","8.0536","0.0003","6.891","0.0003","11.5341","0.0004","90","","98.817","0.002","90","","632.55","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N O2 S -","- C5 H9 N O2 S -","- C20 H36 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0512","0.0408","","","0.0942","0.0994","","","","","","1.042","","","","has coordinates","249682","2020-10-21","18:00:00",""
"4038108","6.1955","0.0002","13.6351","0.0005","17.2061","0.0006","90","","90","","90","","1453.51","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 O6 P -","- C14 H17 O6 P -","- C56 H68 O24 P4 -","4","1","","Hernández-Guerra, Daniel; Kennedy, Alan R.; León, Elisa I; Martín, Ángeles; Pérez-Martín, Inés; Rodríguez, María S; Suárez, Ernesto","Synthetic Approaches to Phosphasugars (2-oxo-1,2-oxaphosphacyclanes) Using the Anomeric Alkoxyl Radical β-Fragmentation Reaction as the Key Step.","The Journal of organic chemistry","2020","85","7","4861","4880","10.1021/acs.joc.0c00059","","","0.71073","MoKα","","0.0637","0.046","","","0.0826","0.0897","","","","","","1.019","","","","has coordinates","250102","2020-10-21","18:00:00",""
"4038109","12.5295","0.001","6.114","0.0004","24.4215","0.0018","90","","104.339","0.003","90","","1812.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0891","0.0433","","","0.0976","0.1191","","","","","","1.005","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038110","20.5819","0.0009","12.8776","0.0005","13.9465","0.0006","90","","102.536","0.0017","90","","3608.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0757","0.0464","","","0.1206","0.1414","","","","","","1.03","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038111","14.253","0.0006","8.2293","0.0003","16.3693","0.0008","90","","98.613","0.002","90","","1898.34","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0529","0.039","","","0.093","0.1049","","","","","","1.052","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038112","9.7179","0.0009","12.4696","0.0012","7.5883","0.0008","90","","106.874","0.005","90","","879.95","0.15","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H15 Cl O2 -","- C23 H15 Cl O2 -","- C46 H30 Cl2 O4 -","2","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0662","0.0426","","","0.1006","0.1142","","","","","","1.041","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038113","8.1334","0.0003","31.8582","0.0016","9.231","0.0005","90","","110.33","0.002","90","","2242.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Parveen, Naziya; Sekar, Govindasamy","Palladium Nanoparticle-Catalyzed Stereoselective Domino Synthesis of 3-Allylidene-2(3<i>H</i>)-oxindoles and 3-Allylidene-2(3<i>H</i>)-benzofuranones.","The Journal of organic chemistry","2020","85","7","4682","4694","10.1021/acs.joc.9b03397","","","0.71073","MoKα","","0.0808","0.0472","","","0.1025","0.122","","","","","","1.029","","","","has coordinates","250109","2020-10-21","18:00:00",""
"4038114","9.424","0.009","9.68","0.009","13.829","0.01","90","","94.214","0.006","90","","1258.1","1.9","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0371","0.0339","","","0.0919","0.0947","","","","","","1.064","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038115","15.3775","0.0011","7.2583","0.0006","11.0501","0.0009","90","","90","","90","","1233.35","0.17","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.056","0.0475","","","0.1193","0.1243","","","","","","1.131","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038116","9.559","0.013","5.316","0.005","17.355","0.016","90","","92.38","0.12","90","","881.1","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","1.54184","CuKα","","0.1021","0.0779","","","0.1968","0.2149","","","","","","1.455","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038117","13.357","0.01","12.364","0.009","7.308","0.005","90","","118.676","0.016","90","","1058.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C13 H6 Cl2 O2 -","- C13 H6 Cl2 O2 -","- C52 H24 Cl8 O8 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0292","0.026","","","0.0992","0.104","","","","","","0.865","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038118","9.217","0.011","12.573","0.009","9.542","0.008","90","","99.09","0.05","90","","1091.9","1.8","100","","99.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O4 -","- C15 H8 O4 -","- C60 H32 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0409","0.0363","","","0.087","0.0901","","","","","","1.045","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038119","9.457","0.003","9.423","0.004","13.368","0.005","90","","90.586","0.016","90","","1191.2","0.8","109","2","109.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O3 S -","- C15 H8 O3 S -","- C60 H32 O12 S4 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0716","0.0562","","","0.1179","0.1227","","","","","","1.128","","","","has coordinates,has disorder","250097","2020-10-21","18:00:00",""
"4038120","11.825","0.015","17.04","0.03","16.23","0.02","90","","109.86","0.03","90","","3076","8","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 O4 -","- C21 H12 O4 -","- C168 H96 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0914","0.0684","","","0.1686","0.183","","","","","","1.09","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4038121","17.395","0.008","9.112","0.004","10.203","0.003","90","","90","","90","","1617.2","1.1","100.01","","100.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H12 O4 -","- C23 H12 O4 -","- C92 H48 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0364","0.0342","","","0.0925","0.0944","","","","","","1.085","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038122","13.845","0.005","13.921","0.005","18.938","0.007","90","","90","","90","","3650","2","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 O4 -","- C25 H14 O4 -","- C200 H112 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.0794","0.0839","","","","","","1.074","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038123","8.351","0.004","21.414","0.006","13.48","0.004","90","","90","","90","","2410.6","1.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C33 H18 O4 -","- C33 H18 O4 -","- C132 H72 O16 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0375","0.0362","","","0.1175","0.1194","","","","","","1.071","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038124","5.3479","0.0008","17.257","0.003","28.107","0.004","90","","90","","90","","2594","0.7","100","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 Cl2 O4 -","- C34 H20 Cl2 O4 -","- C136 H80 Cl8 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0612","0.0496","","","0.1251","0.1312","","","","","","1.039","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038125","26.405","0.003","29.054","0.003","13.1898","0.0011","90","","105.232","0.003","90","","9763.4","1.7","100","2","99.89","","","","","","","","","6","C 1 2/m 1","-C 2y","12","none","","","- C132 H204 Cl36 Cu12 N48 O49.66 -","- C132 H204 Cl36 Cu12 N48 O49.664 -","- C264 H408 Cl72 Cu24 N96 O99.328 -","2","0.25","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0851","0.0617","","","0.119","0.1309","","","","","","1.059","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038126","11.471","0.001","7.8357","0.0007","24.225","0.003","90","","90.475","0.003","90","","2177.3","0.4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Fe(L8)","","","- C13 H20 Cl2 F6 N4 O6 S2 -","- C13 H20 Cl2 F6 N4 O6 S2 -","- C52 H80 Cl8 F24 N16 O24 S8 -","4","1","","Yepremyan, Akop; Mekhail, Magy A.; Niebuhr, Brian P.; Pota, Kristof; Sadagopan, Nishanth; Schwartz, Timothy M.; Green, Kayla N.","Synthesis of 12-Membered Tetra-aza Macrocyclic Pyridinophanes Bearing Electron-Withdrawing Groups.","The Journal of organic chemistry","2020","85","7","4988","4998","10.1021/acs.joc.0c00188","","","0.71073","MoKα","","0.0437","0.0306","","","0.071","0.0778","","","","","","1.0641","","","","has coordinates","250098","2020-10-21","18:00:00",""
"4038127","8.3484","0.0009","8.596","0.0008","10.5662","0.0008","94.799","0.007","97.856","0.007","97.882","0.008","739.98","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Rinaldi, Antonia; Langé, Vittoria; Scarpi, Dina; Occhiato, Ernesto G.","One-Pot Access to 1,7a-Dihydro-1,3a-ethano-indene and 1,8a-Dihydro-1,3a-ethano-azulene Skeletons by a Sequential Gold(I)-Catalyzed Propargyl Claisen Rearrangement/Nazarov Cyclization/[4+2] Cycloaddition Reaction.","The Journal of organic chemistry","2020","85","7","5078","5086","10.1021/acs.joc.0c00088","","x-ray","1.54184","CuKα","","0.1385","0.0928","","","0.2293","0.3109","","","","","","1.071","","","","has coordinates","250103","2020-10-21","18:00:00",""
"4038128","7.7659","0.0004","24.493","0.0011","11.05","0.0005","90","","102.439","0.005","90","","2052.48","0.17","100","0.1","100","0","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1624","0.1103","","","0.2986","0.3674","","","","","","1.099","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038129","7.63396","0.00009","24.8669","0.0002","11.3736","0.0001","90","","102.352","0.001","90","","2109.1","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 S2 -","- C29 H22 S2 -","- C116 H88 S8 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.037","0.0367","","","0.0983","0.0986","","","","","","1.078","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038130","30.826","0.003","30.826","0.003","10.4869","0.0012","90","","90","","90","","9965.1","1.8","100","0.1","100","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C33 H32 N2 -","- C33 H32 N2 -","- C528 H512 N32 -","16","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.1888","0.0896","","","0.1662","0.2107","","","","","","0.897","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038131","25.198","0.002","8.1409","0.0003","17.1786","0.0008","90","","105.547","0.005","90","","3395","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H12 O S2 -","- C25 H12 O S2 -","- C200 H96 O8 S16 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","x-ray","1.54184","CuKα","","0.1119","0.0936","","","0.2509","0.2654","","","","","","1.038","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038132","4.8822","0.0002","24.2724","0.0011","18.1588","0.0008","90","","111.851","0.005","90","","1997.27","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","0.71073","MoKα","","0.0833","0.0541","","","0.1149","0.1275","","","","","","1.022","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038133","28.0545","0.0005","28.0545","0.0005","5.2665","0.0002","90","","90","","90","","4145.03","0.19","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C59 H52 N4 O -","- C59 H48 N4 O -","- C236 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0422","0.0392","","","0.1013","0.1034","","","","","","1.045","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038134","28.056","0.0004","28.056","0.0004","5.2757","0.0002","90","","90","","90","","4152.71","0.18","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C118 H99 N9 -","- C118 H96 N9 -","- C236 H192 N18 -","2","0.25","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0437","0.0398","","","0.0974","0.0992","","","","","","1.072","","","","has coordinates","250107","2020-10-21","18:00:00",""
"4038135","28.0572","0.0004","28.0572","0.0004","5.2734","0.0001","90","","90","","90","","4151.25","0.11","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","","","","- C61 H54 N4 O -","- C61 H48 N4 O -","- C244 H192 N16 O4 -","4","0.5","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Toward Soluble 5,10-Diheterotruxenes: Synthesis and Reactivity of 5,10-Dioxatruxenes, 5,10-Dithiatruxenes, and 5,10-Diazatruxenes.","The Journal of organic chemistry","2020","85","7","4672","4681","10.1021/acs.joc.9b03387","","","1.54184","CuKα","","0.0449","0.0441","","","0.1332","0.134","","","","","","1.087","","","","has coordinates,has disorder","250107","2020-10-21","18:00:00",""
"4038136","16.6762","0.0008","15.5082","0.0006","6.1829","0.0001","90","","90","","90","","1599.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","1.54184","CuKα","","0.1039","0.0795","","","0.1977","0.2221","","","","","","1.02","","","","has coordinates","249800","2020-10-21","18:00:00",""
"4038137","15.8646","0.001","5.3549","0.0003","10.5519","0.0006","90","","90","","90","","896.42","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H10 F N O -","- C11 H10 F N O -","- C44 H40 F4 N4 O4 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","0.71073","MoKα","","0.0692","0.059","","","0.161","0.171","","","","","","1.033","","","","has coordinates","249801","2020-10-21","18:00:00",""
"4038138","15.8628","0.0009","10.9634","0.0006","16.5749","0.0009","90","","117.617","0.0019","90","","2554.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C96 H120 N8 O32 S8 -","8","2","","Yuan, Yang; Chen, Bo; Zhang, Youcan; Wu, Xiao-Feng","Pd/C-Catalyzed Carbonylative Synthesis of α-Carbonyl-α'-Amide Sulfoxonium Ylides from Azides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00273","","","0.71073","MoKα","","0.0428","0.0351","","","0.0912","0.0986","","","","","","1.068","","","","has coordinates","249802","2020-10-21","18:00:00",""
"4038139","6.2091","0.0007","11.431","0.0014","31.863","0.004","90","","94.557","0.004","90","","2254.4","0.5","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C29 H27 N3 -","- C29 H27 N3 -","- C116 H108 N12 -","4","2","","Chang, Meng-Yang; Tsai, Yu-Lin","One-Pot Amberlyst 15-Controlled Cyclocondensation of Piperidines and Arylaldehydes. Synthesis of 3,5-Diarylmethyl Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03315","","","0.71073","MoKα","","0.0691","0.0471","","","0.107","0.1236","","","","","","1.079","","","","has coordinates","249803","2020-10-21","18:00:00",""
"4038141","8.2025","0.0004","8.57","0.0004","12.1558","0.0006","99.418","0.002","99.192","0.002","116.633","0.002","726.73","0.06","170","2","169.98","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0692","0.0477","","","0.106","0.1214","","","","","","1.047","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038142","8.1535","0.0003","23.0669","0.0009","11.4261","0.0006","90","","96.471","0.004","90","","2135.28","0.16","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0693","0.0487","","","0.1199","0.1349","","","","","","1.054","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038143","16.8351","0.0005","25.1745","0.0008","7.294","0.0002","90","","90","","90","","3091.31","0.16","170","2","170","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H13 F2 N O -","- C22 H13 F2 N O -","- C176 H104 F16 N8 O8 -","8","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0571","0.044","","","0.1174","0.1298","","","","","","1.049","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038144","9.1814","0.0009","11.0147","0.0012","12.5984","0.0014","80.885","0.004","84.454","0.004","65.767","0.004","1146.4","0.2","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C50 H48 N4 O8 S2 -","2","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0405","0.0374","","","0.0979","0.1008","","","","","","1.038","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038145","14.297","0.005","5.3712","0.0019","14.656","0.006","90","","89.839","0.015","90","","1125.5","0.7","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00283","","","0.71073","MoKα","","0.0405","0.0366","","","0.0965","0.1002","","","","","","1.062","","","","has coordinates","249840","2020-10-21","18:00:00",""
"4038146","10.2162","0.0016","14.533","0.003","16.867","0.003","90","","97.256","0.007","90","","2484.2","0.8","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(4-methoxyphenyl)-2,3-diphenylpentaleno[1,2-a]biphenylene","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Mayer, Péter J; El Bakouri, Ouissam; Holczbauer, Tamás; Samu, Gergely F.; Janáky, Csaba; Ottosson, Henrik; London, Gábor","Structure-property relationships in unsymmetric bis(antiaromatics): Who wins the battle between pentalene and benzocyclobutadiene?","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03119","","","0.71075","MoKα","","0.111","0.0688","","","0.114","0.1272","","","","","","1.137","","","","has coordinates","249841","2020-10-21","18:00:00",""
"4038147","10.5804","0.0005","17.897","0.0006","12.255","0.0005","90","","115.276","0.005","90","","2098.41","0.17","293.1","0.1","293.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C49 H50 O8 -","- C49 H50 O8 -","- C98 H100 O16 -","2","1","","Li, Yulong; Xu, Zhezhe; Xie, Zhipeng; Guan, Xingchao; Xie, Zhixiang","Total Synthesis of Nominal <i>ent</i>-Chlorabietol B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00233","","x-ray","1.54184","CuKα","","0.0512","0.0464","","","0.1148","0.1205","","","","","","1.061","","","","has coordinates","249882","2020-10-21","18:00:00",""
"4038148","18.904","0.0008","7.2383","0.0003","25.7728","0.0011","90","","96.279","0.002","90","","3505.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","19070z","","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C168 H120 N8 O48 -","8","1","","Noland, Wayland E.; Kumar, Honnaiah Vijay; Reddi, Yernaidu; Cramer, Christopher J.; Novikov, Alexei V.; Kim, Hyejin; Zhu, Yumeng; Chin, Yoke Ching; Zhou, Yuqi; Radakovic, Predrag; Uprety, Anjola; Xie, Jun; Flick, Grant C.","Diels-Alder/Ene Reactivities of 2-(1´-Cycloalkenyl)thiophenes and 2-(1´-Cycloalkenyl)benzo[b]thiophenes with N-Phenylmaleimides: Role of Cycloalkene Ring Size on Benzothiophene and Dibenzothiophene Product Distributions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03363","","","0.71073","MoKα","","0.0499","0.0406","","","0.1031","0.1094","","","","","","1.039","","","","has coordinates","249883","2020-10-21","18:00:00",""
"4038149","7.6871","0.0017","13.649","0.003","25.234","0.005","90","","90","","90","","2647.6","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","19091z","","","- C30 H24 Br2 N2 O4 S -","- C30 H24 Br2 N2 O4 S -","- C120 H96 Br8 N8 O16 S4 -","4","1","","Noland, Wayland E.; Kumar, Honnaiah Vijay; Reddi, Yernaidu; Cramer, Christopher J.; Novikov, Alexei V.; Kim, Hyejin; Zhu, Yumeng; Chin, Yoke Ching; Zhou, Yuqi; Radakovic, Predrag; Uprety, Anjola; Xie, Jun; Flick, Grant C.","Diels-Alder/Ene Reactivities of 2-(1´-Cycloalkenyl)thiophenes and 2-(1´-Cycloalkenyl)benzo[b]thiophenes with N-Phenylmaleimides: Role of Cycloalkene Ring Size on Benzothiophene and Dibenzothiophene Product Distributions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03363","","","0.71073","MoKα","","0.0669","0.0566","","","0.1391","0.1459","","","","","","1.073","","","","has coordinates","249884","2020-10-21","18:00:00",""
"4038150","11.104","0.002","18.824","0.004","12.741","0.003","90","","90.46","0.03","90","","2663.1","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 F N O5 S -","- C30 H28 F N O5 S -","- C120 H112 F4 N4 O20 S4 -","4","1","","Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin","Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00087","","","0.71073","MoKα","","0.0799","0.0538","","","0.1226","0.1401","","","","","","1.019","","","","has coordinates","249885","2020-10-21","18:00:00",""
"4038151","56.287","0.011","11.896","0.002","16.142","0.003","90","","90","","90","","10809","3","113","2","113.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C29 H26 F N O5 S -","- C29 H26 F N O5 S -","- C464 H416 F16 N16 O80 S16 -","16","1","","Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin","Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00087","","","0.71073","MoKα","","0.0684","0.0627","","","0.1691","0.1757","","","","","","1.069","","","","has coordinates","249886","2020-10-21","18:00:00",""
"4038152","11.9373","0.0007","17.1695","0.0008","19.1617","0.0011","90","","106.874","0.006","90","","3758.2","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 N O8 -","- C45 H53 N O8 -","- C180 H212 N4 O32 -","4","1","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0844","0.0657","","","0.1842","0.2045","","","","","","1.057","","","","has coordinates","249887","2020-10-21","18:00:00",""
"4038153","12.4816","0.0008","13.6012","0.0015","14.6525","0.0012","64.281","0.009","77.984","0.006","77.832","0.007","2171.4","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92.6 H116.6 F4.8 N O23.6 -","- C92.6 H116.6 F4.8 N O23.6 -","- C92.6 H116.6 F4.8 N O23.6 -","1","0.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0881","0.073","","","0.2094","0.2282","","","","","","1.032","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038154","12.3935","0.0009","12.7003","0.001","31.989","0.002","79.2","0.007","80.931","0.006","81.646","0.007","4849.2","0.6","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C300.75 H72 N O13.75 -","- C49 H65 N O12 -","- C196 H260 N4 O48 -","4","2","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","","0.71073","MoKα","","0.1969","0.1213","","","0.2857","0.338","","","","","","1.07","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038155","12.5897","0.0013","12.7023","0.0013","15.9641","0.0015","77.76","0.009","75.988","0.009","73.191","0.009","2343.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C102 H126 N2 O23 -","- C102 H126 N2 O23 -","- C102 H126 N2 O23 -","1","0.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0645","0.0494","","","0.1249","0.1353","","","","","","1.029","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038156","50.063","0.002","16.205","0.0008","16.6954","0.0006","90","","90","","90","","13544.5","1","133","19","133","19","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C51 H63 N O10 -","- C51 H63 N O10 -","- C612 H756 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1171","0.0996","","","0.2118","0.2222","","","","","","1.096","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038157","50.2896","0.0007","16.4078","0.0003","16.6971","0.0004","90","","90","","90","","13777.5","0.5","120.01","0.1","120.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C52 H65 N O10 -","- C52 H65 N O10 -","- C624 H780 N12 O120 -","12","1.5","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.1073","0.0672","","","0.1665","0.1917","","","","","","1.011","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038158","12.1038","0.0012","13.3562","0.0012","14.1984","0.0015","68.194","0.009","72.806","0.009","89.471","0.008","2022.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C47 H54 O10 -","- C47 H54 O10 -","- C94 H108 O20 -","2","1","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","x-ray","1.54184","CuKα","","0.0462","0.0377","","","0.0989","0.1063","","","","","","1.027","","","","has coordinates,has disorder","249887","2020-10-21","18:00:00",""
"4038159","14.511","0.002","14.511","0.002","10.2","0.002","90","","90","","120","","1860.1","0.5","170","0.1","170","0.1","","","","","","","","5","P 32","P 32","145","","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","","Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah","Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00220","","","0.71073","MoKα","","0.0612","0.0451","","","0.0893","0.0969","","","","","","1.043","","","","has coordinates","249887","2020-10-21","18:00:00",""
"4038160","16.5911","0.0009","5.9508","0.0004","12.3528","0.0007","90","","93.863","0.002","90","","1216.82","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Zhang, Yuan; Lee, Jack Chang Hung; Reese, Matthew R.; Boscoe, Brian P.; Humphrey, John M.; Helal, Christopher J.","5-Aryl Tetrazoles from Direct C-H Arylation with Aryl Bromides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00085","","","1.54178","CuKα","","0.0424","0.0392","","","0.1115","0.1158","","","","","","1.022","","","","has coordinates","249888","2020-10-21","18:00:00",""
"4038161","13.1147","0.0005","22.827","0.0008","9.7575","0.0003","90","","98.306","0.002","90","","2890.46","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 O4 S2 -","- C33 H30 N2 O4 S2 -","- C132 H120 N8 O16 S8 -","4","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.0525","0.0394","","","0.0948","0.1014","","","","","","1.048","","","","has coordinates","249939","2020-10-21","18:00:00",""
"4038162","32.963","0.003","8.7052","0.0009","15.5575","0.0015","90","","114.78","0.003","90","","4053.2","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","u180316mor1","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C176 H160 N16 O32 S16 -","8","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.0352","0.0343","","","0.094","0.0951","","","","","","1.067","","","","has coordinates","249940","2020-10-21","18:00:00",""
"4038163","9.7296","0.0006","28.0212","0.0017","10.7123","0.0007","90","","106.789","0.0019","90","","2796.1","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 O4 S2 -","- C33 H30 N2 O4 S2 -","- C132 H120 N8 O16 S8 -","4","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","C-H Sulfonylation via 1,3-Rearrangement of Sulfonyl Group in N-protected 3-Bissulfonimidoindole Derivatives Using Fluorine Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03498","","","1.54178","CuKα","","0.037","0.0368","","","0.0987","0.0989","","","","","","1.085","","","","has coordinates","249941","2020-10-21","18:00:00",""
"4038164","15.7467","0.0013","6.3268","0.0005","13.5922","0.0011","90","","101.674","0.002","90","","1326.13","0.19","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Zhao, Xuchen; Song, Changqing; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Conjugated Cycloalkenones. Scope and Reactivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00197","","","0.71073","MoKα","","0.0438","0.0366","","","0.1047","0.1108","","","","","","1.035","","","","has coordinates","249942","2020-10-21","18:00:00",""
"4038165","12.775","0.002","6.3219","0.001","15.637","0.003","90","","90.785","0.005","90","","1262.8","0.4","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zhao, Xuchen; Song, Changqing; Rainier, Jon Douglas","Photoelectrocyclization Reactions of Conjugated Cycloalkenones. Scope and Reactivity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00197","","","0.71073","MoKα","","0.1204","0.0688","","","0.1455","0.1679","","","","","","1.031","","","","has coordinates","249943","2020-10-21","18:00:00",""
"4038166","11.6186","0.0005","11.8426","0.0007","18.1021","0.001","90","","99.144","0.005","90","","2459.1","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Tang, Zhi; Peng, Lingteng; Yuan, Yu; Li, Tianjing; Qiu, Renhua; Kambe, Nobuaki","Synthesis of Triarylmethanes by Decarbonylation of 3, 3-Diaryl Benzofuranones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03433","","x-ray","0.71073","MoKα","","0.0618","0.0505","","","0.1258","0.1333","","","","","","1.049","","","","has coordinates","249944","2020-10-21","18:00:00",""
"4038169","17.2491","0.001","7.725","0.0003","16.6517","0.001","90","","115.121","0.007","90","","2009","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0573","0.0457","","","0.1067","0.1131","","","","","","1.079","","","","has coordinates","249980","2020-10-21","18:00:00",""
"4038170","6.947","0.0003","14.4082","0.0007","15.4652","0.0007","90","","90","","90","","1547.97","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 S2 -","- C12 H18 N2 O4 S2 -","- C48 H72 N8 O16 S8 -","4","1","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0398","0.0353","","","0.0813","0.0836","","","","","","1.066","","","","has coordinates","249981","2020-10-21","18:00:00",""
"4038171","26.497","0.005","6.2682","0.0014","8.054","0.003","90","","94.61","0.03","90","","1333.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O0 -","- C18 H14 N2 -","- C72 H56 N8 -","4","0.5","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0944","0.0827","","","0.2138","0.2257","","","","","","1.131","","","","has coordinates","249982","2020-10-21","18:00:00",""
"4038172","12.8072","0.001","10.7432","0.0009","14.209","0.0011","90","","98.573","0.003","90","","1933.2","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B N O5 -","- C20 H26 B N O5 -","- C80 H104 B4 N4 O20 -","4","1","","François, Benjamin; Eberlin, Ludovic; Berrée, Fabienne; Whiting, Andrew; Carboni, Bertrand","Access to Fused Pyrroles from Cyclic 1,3-Dienyl Boronic Esters and Arylnitroso Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03214","","x-ray","0.71073","MoKα","","0.0543","0.0455","","","0.1184","0.1247","","","","","","1.038","","","","has coordinates,has disorder","249983","2020-10-21","18:00:00",""
"4038173","10.986","0.004","9.394","0.003","17.213","0.007","90","","103.123","0.013","90","","1730","1.1","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","François, Benjamin; Eberlin, Ludovic; Berrée, Fabienne; Whiting, Andrew; Carboni, Bertrand","Access to Fused Pyrroles from Cyclic 1,3-Dienyl Boronic Esters and Arylnitroso Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03214","","x-ray","0.71073","MoKα","","0.0852","0.0486","","","0.1071","0.1244","","","","","","1.003","","","","has coordinates","249984","2020-10-21","18:00:00",""
"4038174","6.1564","0.0014","11.762","0.003","16.182","0.004","90","","91.513","0.008","90","","1171.4","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-<i>seco</i>-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine <i>Gentianella turkestanorum</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.1088","0.1046","","","0.2668","0.2909","","","","","","1.346","","","","has coordinates","249985","2020-10-21","18:00:00",""
"4038175","6.3727","0.0004","11.1509","0.0007","16.5132","0.0011","90","","92.463","0.003","90","","1172.37","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O4 -","- C25 H40 O4 -","- C50 H80 O8 -","2","1","","Guo, Kai; Liu, Xin; Zhou, Ting-Ting; Liu, Yan-Chun; Liu, Yan; Shi, Qiu-Mei; Li, Xiao-Nian; Li, Sheng-Hong","Gentianelloids A and B: Immunosuppressive 10,11-<i>seco</i>-Gentianellane Sesterterpenoids from the Traditional Uighur Medicine <i>Gentianella turkestanorum</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00272","","","1.54178","CuKα","","0.0381","0.0352","","","0.0831","0.0852","","","","","","1.059","","","","has coordinates","249986","2020-10-21","18:00:00",""
"4038176","14.4047","0.0003","15.9977","0.0003","19.8734","0.0004","90","","90","","90","","4579.67","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C232 H208 O32 -","8","2","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0284","0.0279","","","0.07","0.0703","","","","","","1.049","","","","has coordinates,has disorder","250016","2020-10-21","18:00:00",""
"4038177","9.3826","0.0005","10.2522","0.0005","24.9343","0.0013","90","","90","","90","","2398.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 O3 -","- C32 H26 O3 -","- C128 H104 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0404","0.0403","","","0.1326","0.1335","","","","","","1.222","","","","has coordinates","250017","2020-10-21","18:00:00",""
"4038178","9.8835","0.0005","10.0544","0.0005","23.4202","0.0012","90","","90","","90","","2327.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 F O3 -","- C32 H25 F O3 -","- C128 H100 F4 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0736","0.0633","","","0.1893","0.199","","","","","","1.846","","","","has coordinates","250018","2020-10-21","18:00:00",""
"4038179","8.9312","0.0005","9.4412","0.0005","10.9587","0.0006","112.013","0.003","90.901","0.003","96.228","0.002","850.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C46 H30 N2 O6 -","2","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0475","0.0397","","","0.1152","0.1259","","","","","","0.998","","","","has coordinates","250019","2020-10-21","18:00:00",""
"4038180","10.1968","0.0008","13.1506","0.0009","13.4564","0.0011","90","","105.042","0.004","90","","1742.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0719","0.0379","","","0.0943","0.1101","","","","","","0.962","","","","has coordinates","250020","2020-10-21","18:00:00",""
"4038181","15.586","0.0004","12.4441","0.0003","17.1047","0.0004","90","","104.516","0.001","90","","3211.62","0.14","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C176 H104 N8 O16 -","8","2","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0455","0.0343","","","0.0853","0.096","","","","","","1.058","","","","has coordinates","250021","2020-10-21","18:00:00",""
"4038182","9.8053","0.0006","13.7494","0.0008","23.7333","0.0014","90","","96.142","0.002","90","","3181.3","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","2","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0992","0.0464","","","0.1042","0.1393","","","","","","1.063","","","","has coordinates","250022","2020-10-21","18:00:00",""
"4038183","18.4511","0.0007","7.9564","0.0004","21.9786","0.0014","90","","90","","90","","3226.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl N O2 -","- C22 H12 Cl N O2 -","- C176 H96 Cl8 N8 O16 -","8","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0375","0.0311","","","0.0766","0.0829","","","","","","1.043","","","","has coordinates","250023","2020-10-21","18:00:00",""
"4038184","9.1791","0.0005","11.656","0.0005","16.4137","0.0009","90","","94.924","0.002","90","","1749.65","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0231","0.0214","","","0.0575","0.0584","","","","","","1.071","","","","has coordinates,has disorder","250024","2020-10-21","18:00:00",""
"4038185","7.2343","0.0002","23.7071","0.0005","11.3591","0.0003","90","","105.831","0.001","90","","1874.24","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C96 H68 N4 O16 -","4","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0514","0.0412","","","0.1086","0.1172","","","","","","1.021","","","","has coordinates","250025","2020-10-21","18:00:00",""
"4038186","8.0013","0.0014","28.045","0.008","11.6926","0.0019","90","","99.809","0.016","90","","2585.4","1","292.65","0.1","292.65","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C104 H104 Br8 N16 O16 -","8","2","","Chen, Lin; He, Jin","DABCO-Catalyzed Michael/Alkylation Cascade Reactions Involving α-Substituted Ammonium Ylides for the Construction of Spirocyclopropyl Oxindoles: Access to the Powerful Chemical Leads against HIV-1.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03164","","x-ray","1.54184","CuKα","","0.087","0.0664","","","0.1698","0.1998","","","","","","1.031","","","","has coordinates","250026","2020-10-21","18:00:00",""
"4038187","11.6638","0.0003","7.5007","0.0002","27.8059","0.0008","90","","90","","90","","2432.65","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N3 O S -","- C14 H9 N3 O S -","- C112 H72 N24 O8 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0521","0.0391","","","0.0845","0.0914","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038188","13.0311","0.0013","10.4176","0.001","30.827","0.003","90","","90","","90","","4184.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O3 S -","- C24 H20 N4 O3 S -","- C192 H160 N32 O24 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.1051","0.0521","","","0.09","0.1022","","","","","","0.964","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038189","10.0149","0.0005","15.6728","0.0008","8.2966","0.0004","90","","102.539","0.002","90","","1271.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O S2 -","- C12 H13 N3 O S2 -","- C48 H52 N12 O4 S8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0307","0.0284","","","0.0783","0.0805","","","","","","1.086","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038190","11.4655","0.0007","12.7451","0.0008","15.4702","0.0011","90","","100.414","0.003","90","","2223.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O3 Se -","- C24 H26 N4 O3 Se -","- C96 H104 N16 O12 Se4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.036","0.0297","","","0.0738","0.0769","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038191","15.4232","0.0008","6.0725","0.0004","24.6911","0.0015","90","","102.638","0.003","90","","2256.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N5 O2 -","- C25 H25 N5 O2 -","- C100 H100 N20 O8 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0923","0.0628","","","0.1673","0.1978","","","","","","1.072","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038192","5.6027","0.0002","14.3253","0.0006","17.1845","0.0007","90","","98.536","0.002","90","","1363.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0418","0.0309","","","0.0725","0.0777","","","","","","1.036","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038193","9.4501","0.0003","9.7777","0.0003","23.5886","0.0008","90","","90","","90","","2179.59","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.046","0.043","","","0.1172","0.1202","","","","","","1.009","","","","has coordinates","250421","2020-10-21","18:00:00",""
"4038194","9.2465","0.0003","7.9689","0.0003","13.2794","0.0006","90","","99.416","0.004","90","","965.3","0.07","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O3 -","- C24 H20 Cl N O3 -","- C48 H40 Cl2 N2 O6 -","2","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","x-ray","0.71073","MoKα","","0.0565","0.0429","","","0.0877","0.0926","","","","","","1.057","","","","has coordinates","250422","2020-10-21","18:00:00",""
"4038195","8.6867","0.0002","15.1223","0.0003","16.0874","0.0003","90","","90","","90","","2113.29","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.0483","0.0432","","","0.0872","0.0907","","","","","","1.125","","","","has coordinates","250423","2020-10-21","18:00:00",""
"4038196","29.674","0.002","8.4545","0.0005","10.8501","0.0007","90","","98.249","0.007","90","","2693.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.1552","0.0723","","","0.2038","0.2456","","","","","","1.034","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038197","10.8446","0.0014","6.0594","0.0007","21.418","0.002","90","","97.942","0.01","90","","1393.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.151","0.0562","","","0.1405","0.1625","","","","","","0.821","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038198","10.7448","0.0007","6.3538","0.0004","22.0582","0.0013","90","","97.96","0.006","90","","1491.41","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.0949","0.058","","","0.17","0.1866","","","","","","1.05","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038199","8.4816","0.0007","8.7359","0.0011","20.784","0.002","90","","95.956","0.01","90","","1531.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N O3 -","- C18 H12 N O3 -","- C72 H48 N4 O12 -","4","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.17","0.0638","","","0.1705","0.2226","","","","","","0.936","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038200","7.2903","0.0005","9.2896","0.0005","11.4353","0.0007","77.524","0.005","79.007","0.006","69.24","0.006","701.52","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C38 H22 N2 O6 -","2","1","","Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal","N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00227","","","0.71073","MoKα","","0.0619","0.0361","","","0.0816","0.087","","","","","","0.881","","","","has coordinates","250425","2020-10-21","18:00:00",""
"4038202","7.1061","0.0018","11.735","0.003","18.004","0.004","90","","96.144","0.005","90","","1492.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Chen, Yuepeng; Liu, Xinglei; Shi, Wei; Zheng, Shilong; Wang, Guangdi; He, Ling","One-Pot Synthesis of Seven-Membered Heterocyclic Derivatives of Diazepines Involving Copper-Catalyzed Rearrangement Cascade Allyl-Amination.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02710","","","0.71073","MoKα","","0.0664","0.0481","","","0.1135","0.1223","","","","","","1.048","","","","has coordinates","250459","2020-10-21","18:00:00",""
"4038203","9.7164","0.0018","10.1395","0.0015","13.851","0.003","71.337","0.005","88.764","0.006","77.117","0.01","1258.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jh96f","","","- C22 H40 F3 N3 O2 S -","- C22 H40 F3 N3 O2 S -","- C44 H80 F6 N6 O4 S2 -","2","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0422","0.0346","","","0.0845","0.0903","","","","","","1.053","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038204","10.2414","0.0004","17.5228","0.0006","14.1388","0.0005","90","","107.322","0.0012","90","","2422.25","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ta17","","","- C25 H22 F3 N2 O2 P S -","- C25 H22 F3 N2 O2 P S -","- C100 H88 F12 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0487","0.0371","","","0.0905","0.0993","","","","","","1.048","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038205","9.8521","0.0003","10.4233","0.0004","13.8342","0.0005","72.0296","0.0013","88.1523","0.0012","75.7263","0.0012","1308.15","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ta18","","","- C22 H40 F3 N2 O2 P S -","- C22 H40 F3 N2 O2 P S -","- C44 H80 F6 N4 O4 P2 S2 -","2","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0713","0.0473","","","0.1057","0.1164","","","","","","1.032","","","","has coordinates,has disorder","250460","2020-10-21","18:00:00",""
"4038206","9.6191","0.0004","24.8409","0.001","11.3597","0.0004","90","","97.164","0.001","90","","2693.18","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CG38","","","- C31 H29 N2 O2 P S -","- C31 H29 N2 O2 P S -","- C124 H116 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0449","0.0349","","","0.0811","0.0879","","","","","","1.048","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038207","13.744","0.0017","20.825","0.003","11.4009","0.0018","90","","109.349","0.004","90","","3078.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","401c","","","- C37 H33 N2 O2 P S -","- C37 H33 N2 O2 P S -","- C148 H132 N8 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0817","0.0628","","","0.1354","0.1453","","","","","","1.08","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038208","8.6461","0.0008","15.4957","0.0014","16.3096","0.0013","90","","102.024","0.003","90","","2137.2","0.3","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","494B","","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C92 H104 N16 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0471","0.0376","","","0.0918","0.0993","","","","","","1.034","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038209","9.8948","0.0003","11.5408","0.0003","26.9578","0.0007","90","","94.769","0.001","90","","3067.76","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","449b","","","- C36 H31 N2 O3 P S -","- C36 H31 N2 O3 P S -","- C144 H124 N8 O12 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0653","0.0436","","","0.1044","0.1165","","","","","","1.03","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038210","11.9827","0.0009","9.639","0.0007","18.4664","0.0015","90","","90.582","0.003","90","","2132.8","0.3","107","2","107","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","458a","","","- C23 H26 N4 O3 S -","- C23 H26 N4 O3 S -","- C92 H104 N16 O12 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0522","0.0402","","","0.0973","0.105","","","","","","1.05","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038211","9.5001","0.0003","14.8911","0.0004","30.263","0.0009","90","","91.959","0.001","90","","4278.7","0.2","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","586a","","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C184 H208 N32 O16 S8 -","8","2","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0519","0.0385","","","0.0883","0.0949","","","","","","1.062","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038212","9.3732","0.0007","7.5696","0.0005","12.4533","0.0008","90","","106.212","0.002","90","","848.44","0.1","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","353","","","- C6 H5 F3 N2 O2 S -","- C6 H5 F3 N2 O2 S -","- C24 H20 F12 N8 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0391","0.0326","","","0.0841","0.0892","","","","","","1.07","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038213","13.7763","0.0006","7.4726","0.0003","12.2799","0.0006","90","","112.011","0.001","90","","1172.01","0.09","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolH","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0629","0.0455","","","0.1006","0.1168","","","","","","1.102","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038214","7.1584","0.0004","8.4697","0.0004","21.076","0.0011","90","","94.45","0.002","90","","1273.98","0.11","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ns04a","","","- C12 H14 N2 O4 S -","- C12 H14 N2 O4 S -","- C48 H56 N8 O16 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0455","0.0353","","","0.0888","0.0975","","","","","","1.052","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038215","10.0606","0.0004","17.2822","0.0005","28.0572","0.0012","97.836","0.003","99.154","0.004","94.177","0.003","4748.8","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","389b","","","- C33 H50 N2 O P2 -","- C33 H50 N2 O P2 -","- C198 H300 N12 O6 P12 -","6","3","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.1607","0.0733","","","0.1418","0.1907","","","","","","1.009","","","","has coordinates,has disorder","250460","2020-10-21","18:00:00",""
"4038216","26.0481","0.0008","6.0009","0.0002","20.9637","0.0007","90","","113.989","0.001","90","","2993.83","0.17","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PPh2H","","","- C34 H32 N4 O3 P2 -","- C34 H32 N4 O3 P2 -","- C136 H128 N16 O12 P8 -","4","0.5","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0363","0.0321","","","0.0818","0.085","","","","","","1.057","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038217","22.0954","0.0014","8.0559","0.0006","16.8525","0.0011","90","","90.975","0.002","90","","2999.3","0.4","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","482saccH","","","- C14 H15 N3 O3 S2 -","- C14 H15 N3 O3 S2 -","- C112 H120 N24 O24 S16 -","8","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0319","0.029","","","0.0786","0.0812","","","","","","1.08","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038218","7.6885","0.0002","16.2545","0.0003","24.4389","0.0006","90","","96.585","0.001","90","","3034.05","0.12","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","500a","","","- C36 H28 N3 O2 P S -","- C36 H28 N3 O2 P S -","- C144 H112 N12 O8 P4 S4 -","4","1","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0615","0.0451","","","0.1074","0.1156","","","","","","1.049","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038219","18.1807","0.0006","27.4981","0.0007","9.6395","0.0002","90","","102.021","0.001","90","","4713.4","0.2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","ta02","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C192 H272 N16 O32 -","16","4","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0818","0.0572","","","0.1288","0.141","","","","","","1.019","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038220","10.7237","0.0004","14.8564","0.0005","14.6583","0.0005","90","","103.02","0.001","90","","2275.26","0.14","104","2","104","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","127brecryst","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","2","","Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik","Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00114","","","0.71073","MoKα","","0.0495","0.0361","","","0.0867","0.0967","","","","","","1.073","","","","has coordinates","250460","2020-10-21","18:00:00",""
"4038221","15.5395","0.0016","7.0403","0.0007","16.2326","0.0018","90","","112.518","0.013","90","","1640.5","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.0982","0.0507","","","0.1088","0.1323","","","","","","1.022","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038222","8.7983","0.0006","15.2437","0.0008","18.2257","0.0011","90","","101.332","0.007","90","","2396.8","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1387","0.0731","","","0.166","0.2081","","","","","","0.992","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038223","6.6852","0.0007","15.879","0.0018","17.665","0.004","90","","90","","90","","1875.2","0.5","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br N O3 -","- C22 H16 Br N O3 -","- C88 H64 Br4 N4 O12 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1651","0.0701","","","0.1417","0.1905","","","","","","1.016","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038224","12.5491","0.0015","8.3129","0.0009","26.875","0.004","90","","102.001","0.012","90","","2742.3","0.6","298.15","","298.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H13 Br2 N O4 -","- C12 H13 Br2 N O4 -","- C96 H104 Br16 N8 O32 -","8","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.0842","0.0638","","","0.1576","0.1779","","","","","","1.034","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038225","14.974","0.003","6.769","0.0006","14.617","0.002","90","","117.79","0.02","90","","1310.7","0.4","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br2 N O4 -","- C11 H11 Br2 N O4 -","- C44 H44 Br8 N4 O16 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1513","0.0621","","","0.0885","0.114","","","","","","0.983","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038226","14.7062","0.0005","7.5665","0.0003","14.5836","0.0005","90","","113.948","0.001","90","","1483.08","0.09","173","2","172.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br2 O3 -","- C14 H16 Br2 O3 -","- C56 H64 Br8 O12 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","","1.34138","GaKα","","0.0214","0.0212","","","0.0516","0.0518","","","","","","1.134","","","","has coordinates","250462","2020-10-21","18:00:00",""
"4038227","7.7122","0.0003","6.9375","0.0002","20.1264","0.0008","90","","94.982","0.003","90","","1072.76","0.07","190","4","190","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O3 S -","- C11 H10 N O3 S -","- C44 H40 N4 O12 S4 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.057","0.0479","","","0.1319","0.138","","","","","","1.062","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038228","8.7488","0.0003","16.633","0.0008","22.2697","0.001","90.008","0.004","89.96","0.004","90.013","0.003","3240.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O5 S2 -","- C16 H14 N2 O5 S2 -","- C128 H112 N16 O40 S16 -","8","4","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1869","0.1571","","","0.3869","0.3994","","","","","","1.065","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038229","7.0032","0.0002","10.8265","0.0002","11.8966","0.0002","101.805","0.002","104.363","0.002","100.367","0.002","829.63","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N2 O2 S -","- C17 H21 N2 O2 S -","- C34 H42 N4 O4 S2 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0615","0.0556","","","0.1592","0.1654","","","","","","1.055","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038230","27.2818","0.0014","14.841","0.0008","6.2806","0.0003","90","","90","","90","","2542.9","0.2","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C26 H28 N4 O4 S2 -","- C26 H28 N4 O4 S2 -","- C104 H112 N16 O16 S8 -","4","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.3405","GaKα","","0.0495","0.0445","","","0.095","0.097","","","","","","1.008","","","","has coordinates,has disorder","251472","2020-10-21","18:00:00",""
"4038231","9.7299","0.0005","13.0223","0.0007","13.4524","0.0005","94.656","0.004","107.814","0.004","103.627","0.005","1555.31","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N4 O6 S2 -","- C32 H32 N4 O6 S2 -","- C64 H64 N8 O12 S4 -","2","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1449","0.0847","","","0.2986","0.3266","","","","","","1.193","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038232","8.0998","0.0005","11.0792","0.0006","30.7422","0.0009","95.055","0.004","95.992","0.004","100.265","0.005","2683.7","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O4 S2 -","- C28 H32 N4 O4 S2 -","- C112 H128 N16 O16 S8 -","4","2","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","0.71073","MoKα","","0.1447","0.115","","","0.3299","0.3434","","","","","","1.1","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038233","8.4938","0.0003","8.723","0.0003","11.1325","0.0004","68.036","0.003","75.071","0.004","81.671","0.003","738.05","0.05","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.1067","0.0851","","","0.2877","0.3348","","","","","","1.346","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038234","8.575","0.0005","8.8529","0.0004","10.6185","0.0008","72.078","0.006","67.668","0.006","75.284","0.004","700.79","0.08","295.8","0.2","295.8","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","- C28 H32 N2 O4 S4 -","1","0.5","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","MoKα","","0.1269","0.1131","","","0.404","0.4095","","","","","","1.103","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038235","22.7162","0.0006","14.2568","0.0004","30.6478","0.0009","90","","90","","90","","9925.6","0.5","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","1","0.125","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.0685","0.0519","","","0.1309","0.1402","","","","","","1.032","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038236","16.76","0.005","25.156","0.011","6.3059","0.0013","90","","90","","90","","2658.7","1.5","301.45","0.1","301.45","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H28 N2 O4 S4 -","- C27 H28 N2 O4 S4 -","- C108 H112 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","synchrotron","","0.1394","0.0788","","","0.2057","0.2595","","","","","","0.9728","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038237","11.2696","0.0002","11.1966","0.0002","16.4635","0.0003","90","","96.598","0.002","90","","2063.63","0.06","298.89","0.1","298.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 S4 -","- C19 H20 N2 O4 S4 -","- C76 H80 N8 O16 S16 -","4","1","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","x-ray","1.3405","GaKα","","0.0442","0.0379","","","0.103","0.1071","","","","","","1.099","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038238","9.2898","0.0008","11.6784","0.0009","12.1295","0.001","92.062","0.003","112.04","0.003","110.021","0.003","1125.43","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C50 H48 N4 O10 -","2","1","","Pradhan, Sourav; Roy, Subhasish; Banerjee, Sonbidya; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Oxidative C-H/N-H Annulation of Aromatic Amides with Dialkyl Malonates: Access to Isoindolinones and Dihydrobenzoindoles.","The Journal of organic chemistry","2020","85","8","5741","5749","10.1021/acs.joc.0c00466","","","0.71073","MoKα","","0.0805","0.052","","","0.1222","0.1443","","","","","","1.024","","","","has coordinates","251474","2020-10-21","18:00:00",""
"4038241","13.7682","0.0002","8.6348","0.0001","22.2785","0.0003","90","","96.143","0.001","90","","2633.39","0.06","200","2","199.97","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl N O3 -","- C33 H26 Cl N O3 -","- C132 H104 Cl4 N4 O12 -","4","2","","Tu, Man-Su; Liu, Si-Jia; Zhong, Chen; Zhang, Shu; Zhang, Huiwen; Zheng, Yuan-Lin; Shi, Feng","Diastereo- and Enantioselective Construction of Biologically Important Chiral 1,3-Dioxolochroman Frameworks via Catalytic Asymmetric [4+2] Cycloadditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00119","","","1.34139","GaKα","","0.067","0.0591","","","0.1614","0.171","","","","","","1.023","","","","has coordinates","250512","2020-10-21","18:00:00",""
"4038242","7.7803","0.0005","10.9236","0.0008","18.3596","0.0014","90","","102.166","0.002","90","","1525.32","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F2 N O S -","- C17 H15 F2 N O S -","- C68 H60 F8 N4 O4 S4 -","4","1","","Ye, Zhi-Peng; Xia, Peng-Ju; Liu, Fang; Hu, Yuan-Zhuo; Song, Dan; Xiao, Jun-An; Huang, Ping; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Visible-Light-Induced, Catalyst-Free Radical Cross-Coupling Cyclization of <i>N</i>-Allylbromodifluoroacetamides with Disulfides or Diselenides.","The Journal of organic chemistry","2020","85","8","5670","5682","10.1021/acs.joc.9b03490","","","0.71073","MoKα","","0.1613","0.1262","","","0.4134","0.4429","","","","","","1.752","","","","has coordinates,has disorder","251471","2020-10-21","18:00:00",""
"4038243","7.2354","0.0019","10.971","0.003","15.02","0.005","90","","101.83","0.012","90","","1167","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","","Ramu, Gopathi; Tangella, Yellaiah; Ambala, Srinivas; Nagendra Babu, Bathini","Regioselective ring expansion of 3-ylideneoxindoles with tosyldiazomethane (TsDAM) : A metal-free and greener approach for the synthesis of pyrazolo-[1,5-c]quinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00078","","","0.71073","MoKα","","0.0623","0.0505","","","0.1671","0.1764","","","","","","1.39","","","","has coordinates","250574","2020-10-21","18:00:00",""
"4038244","23.768","0.001","7.7729","0.0003","12.6433","0.0006","90","","95.457","0.003","90","","2325.22","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 B N O6 S -","- C23 H30 B N O6 S -","- C92 H120 B4 N4 O24 S4 -","4","1","","Demchuk, Oleksandr P.; Hryshchuk, Oleksandr V.; Vashchenko, Bohdan V.; Kozytskiy, Andriy V.; Tymtsunik, Andriy V.; Komarov, Igor V.; Grygorenko, Oleksandr O.","Photochemical [2 + 2] Cycloaddition of Alkenyl Boronic Derivatives: An Entry into 3-Azabicyclo[3.2.0]heptane Scaffold.","The Journal of organic chemistry","2020","85","9","5927","5940","10.1021/acs.joc.0c00265","","","0.71073","MoKα","","0.1342","0.0754","","","0.1665","0.1995","","","","","","1.031","","","","has coordinates,has disorder","251477","2020-10-21","18:00:00",""
"4038245","9.2209","","6.6668","","9.3831","","90","","99.2121","","90","","569.376","","90","","90","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C24 H30 Br2 N4 O4 -","2","0.5","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0178","","","","0.0465","","","","","","1.077","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038246","7.5174","0.0006","10.8721","0.0009","7.6231","0.0006","90","","92.3519","0.001","90","","622.51","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C24 H26 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0227","","","","0.0612","","","","","","1.055","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038247","12.5251","0.0019","7.7888","0.0012","16.98","0.003","90","","90","","90","","1656.5","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","1","0.125","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0365","","","","0.0908","","","","","","1.012","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038248","6.849","0.006","6.272","0.005","7.042","0.006","90","","106.901","0.01","90","","289.4","0.4","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H3 Br N2 O3 -","- C3 H3 Br N2 O3 -","- C6 H6 Br2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0255","","","","0.0673","","","","","","1.117","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038249","6.667","0.0013","6.7899","0.0014","11.05","0.002","81.39","0.03","86.15","0.03","75.78","0.03","479.18","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","furoxan","","","- C10 H5 Cl N2 O2 -","- C10 H5 Cl N2 O2 -","- C20 H10 Cl2 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.2031","0.1618","","","0.3953","0.4356","","","","","","1.55","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038250","6.5586","0.0013","7.4628","0.0014","8.5758","0.0017","90","","92.046","0.003","90","","419.48","0.14","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","furoxan","","","- C8 H5 Cl N2 O3 -","- C8 H5 Cl N2 O3 -","- C16 H10 Cl2 N4 O6 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71073","MoKα","","0.0345","0.0312","","","0.0734","0.076","","","","","","1.03","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038251","5.9208","0.001","7.7879","0.0013","12.68","0.002","90","","90","","90","","584.68","0.17","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 Br2 N2 O2 -","- C2 Br2 N2 O2 -","- C8 Br8 N8 O8 -","4","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0273","","","","0.0646","","","","","","0.477","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038252","5.36","0.007","9.166","0.014","18.17","0.03","94.47","0.03","94.802","0.014","101.15","0.016","869","2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","2","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.1346","","","","0.4165","","","","","","1.082","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038253","5.5643","0.0019","9.865","0.004","10.798","0.004","112.164","0.005","95.909","0.006","103.111","0.005","522.8","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O2 -","- C10 H6 Cl2 N2 O2 -","- C20 H12 Cl4 N4 O4 -","2","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0373","","","","0.0889","","","","","","1.042","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038254","8.652","0.0002","8.652","0.0002","19.0082","0.0006","90","","90","","120","","1232.27","0.06","149","2","149","2","","","","","","","","4","P 31","P 31","144","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C57 H57 N3 O12 -","3","1","","Maertens, Gaetan; Deruer, Elsa; Denis, Maxime; Canesi, Sylvain","Common Strategy for the Synthesis of Some Strychnos Indole Alkaloids.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00572","","","1.54178","CuKα","","0.0332","0.0319","","","0.0797","0.0807","","","","","","1.049","","","","has coordinates","250736","2020-10-21","18:00:00",""
"4038258","9.5224","0.0002","16.8906","0.0004","19.2805","0.0004","90","","97.05","0.002","90","","3077.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 P2 S2 -","- C36 H34 P2 S2 -","- C144 H136 P8 S8 -","4","1","","Kato, Yugo; Otomura, Nobutaka; Hirano, Koji; Miura, Masahiro","Synthesis of DPPP- and DPPPEN-Type Bidentate Ligands by Ring-Opening Diphosphination of Methylene- and Vinylcyclopropanes under Visible-Light-Promoted Photoredox Catalysis.","The Journal of organic chemistry","2020","85","9","5981","5994","10.1021/acs.joc.0c00417","","x-ray","0.71073","MoKα","","0.0471","0.0378","","","0.0957","0.1037","","","","","","1.106","","","","has coordinates","251479","2020-10-21","18:00:00",""
"4038259","27.7624","0.0004","9.77817","0.00018","10.50269","0.00019","90","","92.3518","0.0015","90","","2848.72","0.08","100","5","100","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 F3 S -","- C16 H17 F3 S -","- C128 H136 F24 S8 -","8","1","","Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Generation and NMR Study of Short-Lived and Reactive Trifluoroalkyl Carbocations of the α-Halogenothiophene Series in Brønsted Superacids: Reactions of the Cations with Arenes.","The Journal of organic chemistry","2020","85","9","5872","5883","10.1021/acs.joc.0c00170","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1183","0.121","","","","","","1.086","","","","has coordinates","251480","2020-10-21","18:00:00",""
"4038260","7.8057","0.0001","9.6433","0.0002","26.0047","0.0005","90","","91.031","0.002","90","","1957.13","0.06","100","0.11","100","0.11","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","0.5","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0491","0.0481","","","0.131","0.1313","","","","","","1.127","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038261","8.8744","0.0001","11.6564","0.0001","11.8317","0.0001","107.65","0.001","107.159","0.001","93.599","0.001","1098.7","0.02","100.01","0.12","100.01","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N3 O4 S -","- C27 H19 N3 O4 S -","- C54 H38 N6 O8 S2 -","2","1","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0465","0.0436","","","0.0942","0.0959","","","","","","1.054","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4038262","14.9657","0.0002","8.176","0.0001","18.5717","0.0003","90","","106.865","0.001","90","","2174.69","0.05","170","2","170.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","1","","Wu, Xiang; Zhu, Zheng-Hao; He, Hao; Ren, Lei; Zhu, Cheng-Feng; Li, You-Gui","Construction of 1,3-Oxazolidines through a Three-Component [3+2] Cycloaddition of Tetrahydroisoquinolines, Aldehydes, and Ethyl Ketomalonate.","The Journal of organic chemistry","2020","85","9","6216","6224","10.1021/acs.joc.0c00616","","","1.34139","GaKα","","0.041","0.0369","","","0.0911","0.0948","","","","","","1.033","","","","has coordinates","251482","2020-10-21","18:00:00",""
"4038263","16.7996","0.0005","11.7198","0.0002","19.3982","0.0007","90","","122.591","0.005","90","","3217.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H33 N2 O2 P -","- C39 H33 N2 O2 P -","- C156 H132 N8 O8 P4 -","4","1","","Pattarawarapan, Mookda; Wiriya, Nittaya; Yimklan, Saranphong; Wangngae, Sirilak; Phakhodee, Wong","Zwitterionic Ring-Opened Oxyphosphonium Species from the Ph<sub>3</sub>P-I<sub>2</sub> Mediated Reactions of Benzo[<i>d</i>]oxazol-2(3<i>H</i>)-ones with Secondary Amines.","The Journal of organic chemistry","2020","85","9","6151","6158","10.1021/acs.joc.0c00211","","x-ray","0.71073","MoKα","","0.0484","0.0425","","","0.1223","0.1291","","","","","","0.961","","","","has coordinates","251483","2020-10-21","18:00:00",""
"4038264","12.3314","0.0002","13.6344","0.0002","17.26","0.0002","86.933","0.001","83.316","0.001","88.246","0.001","2877.22","0.07","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H34 Cl15 O -","- C60 H34 Cl15 O -","- C120 H68 Cl30 O2 -","2","1","","Yang, Xiao; Zhang, Di; Liao, Yinhui; Zhao, Dahui","Toward an Air-Stable Triradical with Strong Spin Coupling: Synthesis of Substituted Truxene-5,10,15-triyl.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03077","","x-ray","0.71073","MoKα","","0.0474","0.0383","","","0.1061","0.1111","","","","","","1.048","","","","has coordinates","250816","2020-10-21","18:00:00",""
"4038265","15.913","0.004","15.005","0.003","20.527","0.005","90","","111.906","0.003","90","","4547.4","1.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H35 Cl9 O3 -","- C52 H35 Cl9 O3 -","- C208 H140 Cl36 O12 -","4","1","","Yang, Xiao; Zhang, Di; Liao, Yinhui; Zhao, Dahui","Toward an Air-Stable Triradical with Strong Spin Coupling: Synthesis of Substituted Truxene-5,10,15-triyl.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03077","","","0.71073","MoKα","","0.1006","0.0855","","","0.1619","0.1697","","","","","","1.21","","","","has coordinates","250817","2020-10-21","18:00:00",""
"4038266","9.5119","0.0014","12.606","0.002","13.674","0.002","74.681","0.01","75.133","0.009","80.617","0.01","1520.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","- C58 H80 Cl2 N8 O7 -","1","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.1809","0.1471","","","0.3731","0.4035","","","","","","1.516","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038267","9.325","0.0002","12.3792","0.0003","22.7224","0.0005","90","","92.177","0.001","90","","2621.09","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Cl2 N8 O5 -","- C54 H64 Cl2 N8 O5 -","- C108 H128 Cl4 N16 O10 -","2","0.5","","Poronik, Yevgen M.; Ambicki, Filip; Tseng, Sheng-Ming; Chou, Pi-Tai; Deperasińska, Irena; Gryko, Daniel T.","How an Eight-Membered Ring Alters the Rhodamine Chromophore.","The Journal of organic chemistry","2020","85","9","5973","5980","10.1021/acs.joc.0c00414","","","1.54178","CuKα","","0.0588","0.0511","","","0.131","0.1361","","","","","","1.046","","","","has coordinates","251486","2020-10-21","18:00:00",""
"4038268","9.5008","0.0003","19.9938","0.0007","10.2841","0.0004","90","","90.605","0.002","90","","1953.43","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H51 Cl3 N8 O7 -","- C33 H51 Cl3 N8 O7 -","- C66 H102 Cl6 N16 O14 -","2","1","","Imani, Zeynab; Guillot, Régis; Declerck, Valérie; Aitken, David J.","Local versus Global Control of Helical Folding in β-Peptide Segments Using Hydrazino Turns.","The Journal of organic chemistry","2020","85","9","6165","6171","10.1021/acs.joc.0c00305","","x-ray","1.54178","CuKα","","0.0453","0.0437","","","0.118","0.1195","","","","","","1.036","","","","has coordinates","251487","2020-10-21","18:00:00",""
"4038269","8.6708","0.0015","11.5329","0.0018","17.874","0.003","90","","90","","90","","1787.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3S,3aS,6R,6aR)-3-(benzyloxy)-6-hydroxyhexahydro-4H-furo[3,2-b]pyrrole-4-carboxylate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Castán, Alejandro; Badorrey, Ramón; Díez, José A; Christoffersen, Claus T.; Rasmussen, Lars K.; Kehler, Jan; Köhler, Ralf; Gálvez, José A; Díaz-de-Villegas, María D","Debenzylative Cycloetherification as a Synthetic Tool in the Diastereoselective Synthesis of 3,6-Disubstituted Hexahydro-2<i>H</i>-furo[3,2-<i>b</i>]pyrroles, PDE1 Enzyme Inhibitors with an Antiproliferative Effect on Melanoma Cells.","The Journal of organic chemistry","2020","85","9","5941","5951","10.1021/acs.joc.0c00276","","","0.71073","MoKα","","0.072","0.0508","","","0.116","0.1266","","","","","","1.152","","","","has coordinates","251476","2020-10-21","18:00:00",""
"4038271","8.3224","0.0008","20.45","0.002","11.4338","0.0011","90","","98.814","0.004","90","","1923","0.3","283","","283.19","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Cheng, Haiyang; Yao, Xinbo; Yin, Shiwei; Wang, Tao; Zhang, Zunting","Stereoselective Synthesis of (E)-3-alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00156","","","1.54178","CuKα","","0.0418","0.0389","","","0.1066","0.1096","","","","","","1.015","","","","has coordinates","250896","2020-10-21","18:00:00",""
"4038272","10.7031","0.0014","10.096","0.0013","19.634","0.003","90","","101.314","0.003","90","","2080.4","0.5","153","","152.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N O5 -","- C22 H20 I N O5 -","- C88 H80 I4 N4 O20 -","4","1","","Cheng, Haiyang; Yao, Xinbo; Yin, Shiwei; Wang, Tao; Zhang, Zunting","Stereoselective Synthesis of (E)-3-alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00156","","","1.54178","CuKα","","0.0366","0.0366","","","0.0952","0.0952","","","","","","1.105","","","","has coordinates","250897","2020-10-21","18:00:00",""
"4038275","12.8867","0.0005","4.97269","0.00015","21.7966","0.0008","90","","106.662","0.004","90","","1338.11","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F N2 O3 -","- C17 H11 F N2 O3 -","- C68 H44 F4 N8 O12 -","4","1","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","Close Amide NH···F Hydrogen Bonding Interactions in 1,8-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00553","","","0.71073","MoKα","","0.0398","0.0361","","","0.0988","0.1022","","","","","","1.072","","","","has coordinates","250948","2020-10-21","18:00:00",""
"4038276","4.8492","0.0002","12.3436","0.0005","17.6866","0.0008","90","","92.08","0.004","90","","1057.96","0.08","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 F4 N O -","- C12 H7 F4 N O -","- C48 H28 F16 N4 O4 -","4","1","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","Close Amide NH···F Hydrogen Bonding Interactions in 1,8-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00553","","","0.71073","MoKα","","0.0516","0.0388","","","0.0894","0.0973","","","","","","1.099","","","","has coordinates,has disorder","250949","2020-10-21","18:00:00",""
"4038277","10.8642","0.0004","18.7374","0.0009","11.2628","0.0005","90","","117.454","0.002","90","","2034.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O S2 -","- C23 H20 O S2 -","- C92 H80 O4 S8 -","4","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0876","0.0437","","","0.0914","0.1138","","","","","","1.008","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038278","8.2801","0.0003","10.9055","0.0004","11.3166","0.0003","72.0273","0.0013","79.5744","0.0013","77.9792","0.0013","943.19","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 Cl2 O S2 -","- C21 H12 Cl2 O S2 -","- C42 H24 Cl4 O2 S4 -","2","1","","Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy","Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.","The Journal of organic chemistry","2020","85","9","5895","5906","10.1021/acs.joc.0c00183","","","0.71073","MoKα","","0.0446","0.0369","","","0.0884","0.0952","","","","","","1.035","","","","has coordinates","251484","2020-10-21","18:00:00",""
"4038279","7.108","0.0004","10.7667","0.0006","18.9286","0.0009","90","","91.471","0.002","90","","1448.12","0.13","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AC5124","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0542","0.0395","","","0.1311","0.1503","","","","","","1.113","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038280","14.0598","0.0019","15.723","0.002","32.139","0.004","90","","91.764","0.005","90","","7101.4","1.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 Cl6 N12 O8 -","- C68 H90 Cl6 N12 O8 -","- C272 H360 Cl24 N48 O32 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0647","0.0403","","","0.0984","0.1145","","","","","","1.026","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038281","29.875","0.01","5.607","0.002","12.349","0.004","90","","101.081","0.013","90","","2030","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O3 -","- C24 H20 N4 O3 -","- C96 H80 N16 O12 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0982","0.0573","","","0.1278","0.1475","","","","","","1.038","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038282","6.0964","0.0002","10.1676","0.0003","19.2632","0.0007","90","","90","","90","","1194.04","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0448","0.0384","","","0.1016","0.1073","","","","","","0.947","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038283","18.9012","0.0013","5.7981","0.0003","26.3242","0.0016","90","","108.07","0.005","90","","2742.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 Br F3 O -","- C15 H8 Br F3 O -","- C120 H64 Br8 F24 O8 -","8","1","","Chen, Guo-Shu; Yan, Xiaoxue; Chen, Shujie; Mao, Xiang-Yu; Li, Zhao-Dong; Liu, Yunlin","Diastereoselective Synthesis of 1,3-Diyne-Tethered Trifluoromethyl-Cyclopropanes through Sulfur Ylides-Mediated Cyclopropanation/ DBU-Mediated Epimerization Sequence.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00162","","","0.71073","MoKα","","0.053","0.0367","","","0.0658","0.0722","","","","","","1.06","","","","has coordinates","250988","2020-10-21","18:00:00",""
"4038284","7.3293","0.0013","14.6561","0.0014","18.0368","0.0011","89.593","0.007","79.654","0.013","86.612","0.012","1902.6","0.4","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 Br F3 N O2 -","- C22 H13 Br F3 N O2 -","- C88 H52 Br4 F12 N4 O8 -","4","2","","Chen, Guo-Shu; Yan, Xiaoxue; Chen, Shujie; Mao, Xiang-Yu; Li, Zhao-Dong; Liu, Yunlin","Diastereoselective Synthesis of 1,3-Diyne-Tethered Trifluoromethyl-Cyclopropanes through Sulfur Ylides-Mediated Cyclopropanation/ DBU-Mediated Epimerization Sequence.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00162","","x-ray","0.71073","MoKα","","0.2049","0.1485","","","0.392","0.4268","","","","","","1.338","","","","has coordinates","250989","2020-10-21","18:00:00",""
"4038285","15.7049","0.0005","12.0661","0.0005","7.702","0.0003","90","","94.888","0.003","90","","1454.2","0.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 B F2 I N3 O S -","- C12 H11 B F2 I N3 O S -","- C48 H44 B4 F8 I4 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0565","0.0473","","","0.1179","0.1286","","","","","","1.068","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038286","15.5882","0.0002","11.6785","0.0002","7.5331","0.0001","90","","94.724","0.001","90","","1366.72","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B F2 N3 O S -","- C13 H14 B F2 N3 O S -","- C52 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.031","0.0302","","","0.0847","0.0855","","","","","","1.063","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038287","18.8716","0.0001","12.5058","0.0001","17.1769","0.0001","90","","110.067","0.001","90","","3807.73","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N3 O3 S2 -","- C18 H16 B F2 N3 O3 S2 -","- C144 H128 B8 F16 N24 O24 S16 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0314","0.0309","","","0.0805","0.081","","","","","","1.06","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038288","12.6493","0.0002","6.2227","0.0001","19.5519","0.0003","90","","107.296","0.002","90","","1469.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F2 N3 O S -","- C14 H16 B F2 N3 O S -","- C56 H64 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","1.54184","CuKα","","0.0323","0.0314","","","0.0844","0.0852","","","","","","1.053","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038289","14.262","0.0005","8.0464","0.0002","14.6468","0.0005","90","","96.67","0.003","90","","1669.46","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 B F2 N3 O3 S -","- C16 H18 B F2 N3 O3 S -","- C64 H72 B4 F8 N12 O12 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Grazulevicius, Juozas V.","Organolithium-Mediated Postfunctionalization of Thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinine Fluorescent Dyes.","The Journal of organic chemistry","2020","85","9","6060","6072","10.1021/acs.joc.0c00552","","","0.71073","MoKα","","0.0439","0.0352","","","0.0868","0.0932","","","","","","1.036","","","","has coordinates","251475","2020-10-21","18:00:00",""
"4038290","5.68389","0.00006","12.24377","0.00014","33.9789","0.0003","90","","90","","90","","2364.67","0.04","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0377","0.0333","","","0.0772","0.0801","","","","","","1.064","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038291","5.52511","0.00016","16.3905","0.0005","11.8602","0.0003","90","","100.461","0.002","90","","1056.2","0.05","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0331","0.0295","","","0.0657","0.0672","","","","","","1.04","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038292","5.68294","0.00015","34.9964","0.0006","11.1399","0.0003","90","","100.951","0.002","90","","2175.19","0.09","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C112 H88 N8 O8 S4 -","4","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.1154","0.0625","","","0.1013","0.1194","","","","","","1.018","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038293","7.636","0.003","13.042","0.005","14.698","0.005","90","","90.76","0.007","90","","1463.6","0.9","100","2","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0408","0.0335","","","0.0881","0.0931","","","","","","1.066","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038294","7.5111","0.0001","10.0145","0.0001","34.4974","0.0005","90","","90","","90","","2594.89","0.06","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Fe N2 O3 -","- C30 H26 Cl2 Fe N2 O3 -","- C120 H104 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.054","0.0423","","","0.08","0.0837","","","","","","1.07","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038295","13.2186","0.0002","13.2909","0.0002","14.0998","0.0003","90","","96.7465","0.0015","90","","2460","0.07","120","1","120","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cl2 Fe N2 O3 -","- C24 H30 Cl2 Fe N2 O3 -","- C96 H120 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0442","0.0348","","","0.0629","0.0664","","","","","","1.036","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038296","7.5248","0.0002","9.9876","0.0003","34.3832","0.0008","90","","90","","90","","2584.06","0.12","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Co N2 O3 -","- C30 H26 Cl2 Co N2 O3 -","- C120 H104 Cl8 Co4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0831","0.046","","","0.0692","0.0743","","","","","","0.841","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038297","13.5371","0.0002","14.1319","0.0002","28.1192","0.0005","90","","90","","90","","5379.34","0.15","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H34 Cl2 Co N2 O3 -","- C27.5 H34 Cl2 Co N2 O3 -","- C220 H272 Cl16 Co8 N16 O24 -","8","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0494","0.0379","","","0.0851","0.0913","","","","","","1.049","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038298","10.9879","0.0003","56.587","0.0016","21.0107","0.0005","90","","90.025","0.003","90","","13063.9","0.6","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C26.25 H30.5 Cl0.5 Co F6 N2 O9 S2 -","- C420 H488 Cl8 Co16 F96 N32 O144 S32 -","16","8","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0911","0.0663","","","0.1515","0.1747","","","","","","1.025","","","","has coordinates,has disorder","251111","2020-10-21","18:00:00",""
"4038299","12.9643","0.0011","15.9039","0.0011","11.6777","0.001","90","","110.485","0.01","90","","2255.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C100 H100 N4 O24 -","4","1","","Zhang, Yuan; Li, Shilin; Zhu, Yin; Yang, Xiaorong; Zhou, Huang; Li, Ying","Visible Light-Induced Oxidative Cross Dehydrogenative Coupling of Glycine Esters with β-Naphthols: Access to 1,3-Benzoxazines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b01440","","","0.71073","MoKα","","0.1281","0.0707","","","0.1701","0.2189","","","","","","1.033","","","","has coordinates","251153","2020-10-21","18:00:00",""
"4038300","9.5029","0.0004","10.3608","0.0005","11.0975","0.0004","99.412","0.004","113.277","0.004","107.356","0.004","907.31","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","2-(1-hydroxyethyl)-1,3-diphenylphosphindole 1-oxide","","- C22 H19 O2 P -","- C22 H19 O2 P -","- C44 H38 O4 P2 -","2","1","","Guo, Jiami; Mao, Chenlu; Deng, Bin; Ye, Liyi; Yin, Yingwu; Gao, Yuxing; Tu, Song","Azobisisobutyronitrile-Initiated Oxidative C-H Functionalization of Simple Alcohols with Diaryl(arylethynyl)phosphine Oxides: A Metal-Free Approach toward Hydroxymethyl Benzo[<i>b</i>]phosphole Oxides and 6<i>H</i>-Indeno[2,1-<i>b</i>]phosphindole 5-Oxide Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00118","","","1.54184","CuKα","","0.0565","0.0491","","","0.1305","0.1509","","","","","","1.087","","","","has coordinates","251155","2020-10-21","18:00:00",""
"4038301","7.6089","0.0002","14.041","0.0003","17.1323","0.0004","90","","93.246","0.002","90","","1827.42","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-chloro-6,6-dimethyl-5-phenyl-6H-indeno[2,1-b]phosphindole 5-oxide","","- C23 H18 Cl O P -","- C23 H18 Cl O P -","- C92 H72 Cl4 O4 P4 -","4","1","","Guo, Jiami; Mao, Chenlu; Deng, Bin; Ye, Liyi; Yin, Yingwu; Gao, Yuxing; Tu, Song","Azobisisobutyronitrile-Initiated Oxidative C-H Functionalization of Simple Alcohols with Diaryl(arylethynyl)phosphine Oxides: A Metal-Free Approach toward Hydroxymethyl Benzo[<i>b</i>]phosphole Oxides and 6<i>H</i>-Indeno[2,1-<i>b</i>]phosphindole 5-Oxide Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00118","","","1.54184","CuKα","","0.0478","0.0408","","","0.1077","0.1158","","","","","","1.055","","","","has coordinates","251156","2020-10-21","18:00:00",""
"4038302","6.3532","0.0008","11.1522","0.0014","11.6114","0.0015","71.654","0.004","88.192","0.004","88.92","0.004","780.45","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","- C34 H39.35 N O5 S -","1","1","","Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00396","","","1.54184","CuKα","","0.0788","0.0435","","","0.1074","0.1162","","","","","","1.051","","","","has coordinates,has disorder","251182","2020-10-21","18:00:00",""
"4038303","12.581","0.0005","8.4554","0.0004","25.9438","0.0011","90","","99.729","0.005","90","","2720.1","0.2","293.7","0.3","293.7","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Br Cl3 N O -","- C29 H27 Br Cl3 N O -","- C116 H108 Br4 Cl12 N4 O4 -","4","1","","Li, Zhi-Min; Tan, Yingfei; Ma, You-Ping; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Chiral Derivatives of 2-Aminotribenzotriquinacene: Synthesis and Optical Resolution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00396","","","0.71073","MoKα","","0.0964","0.0605","","","0.1444","0.1681","","","","","","1.03","","","","has coordinates","251183","2020-10-21","18:00:00",""
"4038304","11.5648","0.0005","12.906","0.0005","17.0405","0.0005","71.639","0.003","88.416","0.003","72.869","0.003","2300.85","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 F N O5 P -","- C23 H27 F N O5 P -","- C92 H108 F4 N4 O20 P4 -","4","2","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.055","0.0389","","","0.0923","0.0988","","","","","","1.028","","","","has coordinates,has disorder","251240","2020-10-21","18:00:00",""
"4038305","12.2516","0.0013","7.1055","0.0005","13.0019","0.0012","90","","115.11","0.012","90","","1024.9","0.19","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0793","0.0537","","","0.1165","0.1279","","","","","","1.032","","","","has coordinates","251241","2020-10-21","18:00:00",""
"4038306","7.7968","0.0004","20.6201","0.0013","15.4863","0.0007","90","","103.667","0.005","90","","2419.2","0.2","150.6","0.9","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N2 O4 P -","- C25 H33 N2 O4 P -","- C100 H132 N8 O16 P4 -","4","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.1292","0.065","","","0.1355","0.1665","","","","","","1.002","","","","has coordinates","251242","2020-10-21","18:00:00",""
"4038307","9.7426","0.0009","6.4084","0.0005","18.2313","0.0014","90","","99.544","0.008","90","","1122.51","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 N2 O4 P -","- C23 H29 N2 O4 P -","- C46 H58 N4 O8 P2 -","2","1","","Del Corte, Xabier; López-Francés, Adrián; Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Brönsted Acid Catalyzed Multicomponent Synthesis of Phosphorus and Fluorine-Derived γ-Lactam Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00280","","x-ray","1.54184","CuKα","","0.0942","0.066","","","0.1336","0.1512","","","","","","1.006","","","","has coordinates,has disorder","251243","2020-10-21","18:00:00",""
"4038308","10.4076","0.0003","6.5798","0.0002","12.4643","0.0004","90","","100.854","0.001","90","","838.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","1","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic <i>Lycopodium</i> Alkaloids with an Unusual Skeleton from <i>Huperzia serrata</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0336","0.0336","","","0.0848","0.0848","","","","","","1.143","","","","has coordinates","251289","2020-10-21","18:00:00",""
"4038309","24.2918","0.0006","8.047","0.0002","17.8937","0.0005","90","","91.261","0.001","90","","3496.94","0.16","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C136 H224 N16 O24 -","8","2","","Wu, Xing-De; Li, Xiao-Nian; Peng, Li-Yan; Zhao, Qin-Shi","Huperserratines A and B, Two Macrocyclic <i>Lycopodium</i> Alkaloids with an Unusual Skeleton from <i>Huperzia serrata</i>.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00623","","","1.54178","CuKα","","0.0374","0.0366","","","0.0966","0.0976","","","","","","1.071","","","","has coordinates","251290","2020-10-21","18:00:00",""
"4038310","10.3827","0.0002","20.2897","0.0004","20.0193","0.0004","90","","103.111","0.002","90","","4107.37","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 Fe N4 O4 P -","- C45 H53 Fe N4 O4 P -","- C180 H212 Fe4 N16 O16 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0535","0.0411","","","0.1048","0.112","","","","","","1.045","","","","has coordinates","251321","2020-10-21","18:00:00",""
"4038311","10.7593","0.0001","19.627","0.0003","18.6896","0.0002","90","","92.421","0.001","90","","3943.21","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Fe N2 O4 P -","- C44 H47 Fe N2 O4 P -","- C176 H188 Fe4 N8 O16 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0381","0.0327","","","0.0834","0.0864","","","","","","1.037","","","","has coordinates","251322","2020-10-21","18:00:00",""
"4038312","11.2047","0.0002","16.3187","0.0003","21.2446","0.0004","90","","90.3635","0.0016","90","","3884.41","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 Cl2 N2 P -","- C43 H53 Cl2 N2 P -","- C172 H212 Cl8 N8 P4 -","4","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.","Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00176","","x-ray","0.71073","MoKα","","0.0555","0.0441","","","0.113","0.1199","","","","","","1.04","","","","has coordinates,has disorder","251323","2020-10-21","18:00:00",""
"4038313","13.9604","0.0003","11.1296","0.0002","11.0998","0.0002","90","","90","","90","","1724.62","0.06","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Horwitz, Matthew A.; Robins, Jacob G.; Johnson, Jeffrey S.","De Novo Synthesis of the DEF-Ring Stereotriad Core of the Veratrum Alkaloids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00685","","","1.54178","CuKα","","0.0558","0.0482","","0.1211","0.1158","0.1211","","","","","","1.0092","","","","has coordinates","251324","2020-10-21","18:00:00",""
"4038314","8.365","0.005","12.146","0.007","12.735","0.008","90","","98.233","0.009","90","","1280.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0581","0.042","","","0.1222","0.1368","","","","","","0.978","","","","has coordinates","251325","2020-10-21","18:00:00",""
"4038315","11.7435","0.0016","22.987","0.003","11.0387","0.0018","90","","113.721","0.006","90","","2728.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 F2 N O -","- C17 H15 F2 N O -","- C136 H120 F16 N8 O8 -","8","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0461","0.04","","","0.1372","0.1435","","","","","","1.202","","","","has coordinates","251326","2020-10-21","18:00:00",""
"4038316","8.892","0.003","10.123","0.003","15.21","0.005","90","","94.753","0.004","90","","1364.4","0.8","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F N O -","- C17 H16 F N O -","- C68 H64 F4 N4 O4 -","4","1","","Chand-Thakuri, Pratibha; Landge, Vinod G.; Kapoor, Mohit; Young, Michael C.","One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00542","","","0.71073","MoKα","","0.0469","0.0405","","","0.1399","0.146","","","","","","1.231","","","","has coordinates","251327","2020-10-21","18:00:00",""
"4038317","11.5651","0.0006","20.5701","0.0011","12.4399","0.0007","90","","95.914","0.005","90","","2943.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N3 O2 -","- C33 H37 N3 O2 -","- C132 H148 N12 O8 -","4","1","","Chen, Dianpeng; Yang, Min; Li, Jianming; Cui, Peiying; Su, Lei; Shan, Yingying; You, Jinmao; Rojsitthisak, Pornchai; Liu, Jin-Biao; Qiu, Guanyinsheng","Palladium-Catalyzed Cycloaddition of Alkynylimines, Double Isocyanides, and H2O/KOAc.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00323","","","0.71073","MoKα","","0.0894","0.0579","","","0.1475","0.1681","","","","","","1.033","","","","has coordinates","251328","2020-10-21","18:00:00",""
"4038318","8.8293","0.0005","25.4599","0.0014","10.8562","0.0007","90","","98.026","0.006","90","","2416.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N3 O2 -","- C26 H33 N3 O2 -","- C104 H132 N12 O8 -","4","1","","Chen, Dianpeng; Yang, Min; Li, Jianming; Cui, Peiying; Su, Lei; Shan, Yingying; You, Jinmao; Rojsitthisak, Pornchai; Liu, Jin-Biao; Qiu, Guanyinsheng","Palladium-Catalyzed Cycloaddition of Alkynylimines, Double Isocyanides, and H2O/KOAc.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00323","","","0.71073","MoKα","","0.0906","0.0584","","","0.1371","0.1579","","","","","","1.021","","","","has coordinates","251329","2020-10-21","18:00:00",""
"4038319","24.002","0.003","11.4379","0.0017","18.394","0.003","90","","103.496","0.005","90","","4910.3","1.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N2 O4 -","- C29 H24 N2 O4 -","- C232 H192 N16 O32 -","8","1","","Vannada, Jagadeshwar; Sulthan, Mahesh; Arun, Doma; Dada, Ravikrishna; Yaragorla, Srinivasarao","Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3+2] Cyclisation of C-acylimines with Activated-Alkynes and Aromatic Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00712","","","0.71073","MoKα","","0.066","0.0501","","","0.1292","0.14","","","","","","1.066","","","","has coordinates","251381","2020-10-21","18:00:00",""
"4038320","12.078","0.0019","21.49","0.003","12.2066","0.0018","90","","117.223","0.005","90","","2817.4","0.7","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","naphthalyl pyrrole","","","- C33 H27 Cl N O5 -","- C33 H27 Cl N O5 -","- C132 H108 Cl4 N4 O20 -","4","1","","Vannada, Jagadeshwar; Sulthan, Mahesh; Arun, Doma; Dada, Ravikrishna; Yaragorla, Srinivasarao","Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3+2] Cyclisation of C-acylimines with Activated-Alkynes and Aromatic Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00712","","","0.71073","MoKα","","0.0679","0.0589","","","0.1695","0.1766","","","","","","1.051","","","","has coordinates","251382","2020-10-21","18:00:00",""
"4038321","7.976","0.003","11.054","0.004","22.319","0.007","79.904","0.009","80.498","0.01","82.348","0.009","1899.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H94 N10 S4 -","- C95 H94 N10 S4 -","- C95 H94 N10 S4 -","1","0.5","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","","0.71073","MoKα","","0.0785","0.0632","","","0.1567","0.1678","","","","","","1.113","","","","has coordinates,has disorder","251412","2020-10-21","18:00:00",""
"4038322","7.643","0.0005","8.3737","0.0005","18.759","0.0012","77.4125","0.0019","86.99","0.002","72.2796","0.0018","1116","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C48 H64 N8 S4 -","2","1","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","x-ray","0.71073","MoKα","","0.0441","0.0402","","","0.1121","0.1156","","","","","","1.057","","","","has coordinates","251414","2020-10-21","18:00:00",""
"4038323","6.2425","0.0003","13.6804","0.0005","22.8237","0.001","87.472","0.002","85.615","0.002","85.855","0.002","1936.89","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Br2 Cl3 N4 S2 -","- C39 H37 Br2 Cl3 N4 S2 -","- C78 H74 Br4 Cl6 N8 S4 -","2","1","","Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin","Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03504","","","0.71073","MoKα","","0.0306","0.0239","","","0.0524","0.0548","","","","","","1.034","","","","has coordinates,has disorder","251415","2020-10-21","18:00:00",""
"4038324","15.1325","0.0013","12.4","0.0011","9.4338","0.0008","90","","90.8433","0.0012","90","","1770","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Ueda, Jun-Ichi; Enomoto, Yuuki; Seki, Mizuki; Konishi, Takuma; Ogasawara, Masamichi; Yoshida, Kazuhiro","Oxidative Cyclization of <i>o</i>-(1-Hydroxy-2-alkynyl)-<i>N</i>-tosylanilides for Synthesis of 4-Quinolones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00245","","","0.71073","MoKα","","0.058","0.0433","","","0.0997","0.109","","","","","","1.034","","","","has coordinates","251508","2020-10-21","18:00:00",""
"4038325","16.4905","0.001","12.0256","0.0007","9.3656","0.0006","90","","98.8943","0.0007","90","","1834.94","0.19","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Ueda, Jun-Ichi; Enomoto, Yuuki; Seki, Mizuki; Konishi, Takuma; Ogasawara, Masamichi; Yoshida, Kazuhiro","Oxidative Cyclization of <i>o</i>-(1-Hydroxy-2-alkynyl)-<i>N</i>-tosylanilides for Synthesis of 4-Quinolones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00245","","","0.71073","MoKα","","0.0461","0.0381","","","0.1004","0.1056","","","","","","1.047","","","","has coordinates","251509","2020-10-21","18:00:00",""
"4038326","14.5879","0.0004","10.2102","0.0003","23.8219","0.0007","90","","106.882","0.002","90","","3395.25","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O7 -","- C34 H42 N4 O7 -","- C136 H168 N16 O28 -","4","2","","Nguyen, Khiem Chau; Wang, Pengzhi; Sommer, Roger D.; Lindsey, Jonathan S.","Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing <i>trans</i>-Dialkyl Substituents in Ring D.","The Journal of organic chemistry","2020","85","10","6605","6619","10.1021/acs.joc.0c00608","","","1.54178","CuKα","","0.0631","0.0483","","","0.1224","0.1326","","","","","","1.025","","","","has coordinates,has disorder","252622","2020-10-21","18:00:00",""
"4038327","6.0732","0.0013","11.111","0.002","29.291","0.006","90","","90","","90","","1976.5","0.7","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-fluoro-2,3-diphenylpent-4-en-2-yl 4-nitrobenzoate","","- C24 H20 F N O4 -","- C24 H20 F N O4 -","- C96 H80 F4 N4 O16 -","4","1","","Novikov, Maxim A.; Bobrova, Angelina; Mezentsev, Igor; Medvedev, Michael G.; Tomilov, Yury V.","(2-Fluoroallyl)boration of ketones with (2-fluoroallyl)boronates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03445","","","0.71073","MoKα","","0.1135","0.0554","","","0.1004","0.1233","","","","","","0.979","","","","has coordinates","251782","2020-10-21","18:00:00",""
"4038328","16.4039","0.0016","7.632","0.0008","32.433","0.003","90","","90","","90","","4060.4","0.7","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19.5 H20 I2 N2 O2 -","- C19.5 H20 I2 N2 O2 -","- C156 H160 I16 N16 O16 -","8","2","","Bell, Abbegail C.; Boomsma, Alex B.; Flikweert, Niecia E.; Hohlman, Robert M.; Zhang, Shiyuan; Blankespoor, Ronald L.; Biros, Shannon M.; Staples, Richard J.; Brickner, Steven J.; Barbachyn, Michael Robert","The Synthesis of Functionalized 3-Aryl- and 3-Heteroaryloxazolidin-2-ones and Tetrahydro-3-Aryl-1,3-oxazin-2-ones via the Iodocyclocarbamation Reaction. Access to Privileged Chemical Structures and Scope and Limitations of the Method.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03400","","","0.71073","MoKα","","0.066","0.0604","","","0.1452","0.1488","","","","","","1.174","","","","has coordinates,has disorder","251783","2020-10-21","18:00:00",""
"4038329","5.4777","0.0001","8.3194","0.0002","25.6879","0.0005","90","","90","","90","","1170.63","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Deactivation of Secondary Amine Catalysts via Aldol Reaction-Amine Catalysis under Solvent-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00665","","x-ray","1.54184","CuKα","","0.0352","0.0335","","","0.0834","0.0844","","","","","","1.077","","","","has coordinates","251819","2020-10-21","18:00:00",""
"4038330","10.4303","0.0006","11.5237","0.0006","23.1881","0.0012","90","","90","","90","","2787.1","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Chen, Yu; Xue, Qing; Teng, Haida; Qin, Rui; Liu, Hong; Xu, Jing; Mei, Zhinan; Yang, Guangzhong","Acylphloroglucinol Derivatives with Tricyclo-[4.4.1.11,4] Dodecane Skeleton from Garcinia bracteata Fruits.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00637","","","1.54178","CuKα","","0.0345","0.0325","","","0.0779","0.0794","","","","","","1.041","","","","has coordinates","251820","2020-10-21","18:00:00",""
"4038331","7.1326","0.0009","15.291","0.002","8.2001","0.0012","90","","99.936","0.004","90","","880.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","","Chen, Chien-Tien; Maity, Nabin Ch; Agarwal, Rachit; Lai, Chien-Fu; Liao, Yiya; Yu, Wei-Ru","Chiral Vanadyl(V) Complexes Enable Efficient Asymmetric Reduction of β-Ketoamides: Application toward (<i>S</i>)-Duloxetine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00221","","","0.71073","MoKα","","0.0351","0.0325","","","0.0875","0.0896","","","","","","1.077","","","","has coordinates","251821","2020-10-21","18:00:00",""
"4038332","11.349","0.0013","18.809","0.002","16.489","0.002","90","","94.802","0.002","90","","3507.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Cl2 O2 P2 Zn -","- C39 H32 Cl2 O2 P2 Zn -","- C156 H128 Cl8 O8 P8 Zn4 -","4","1","","Zhao, LuLu; Dong, Yanan; Xia, Qiangqiang; Bai, Jian-Fei; Li, Yuehui","Zn-Catalyzed Cyanation of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00269","","","0.71073","MoKα","","0.0622","0.048","","","0.1345","0.1477","","","","","","1.003","","","","has coordinates","251822","2020-10-21","18:00:00",""
"4038333","18.426","0.005","5.74","0.005","24.343","0.005","90","0.005","105.005","0.005","90","0.005","2487","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C112 H116 N4 O20 -","4","1","","Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal","Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00531","","","0.71073","MoKα","","0.228","0.0892","","","0.2249","0.3043","","","","","","1.022","","","","has coordinates","251865","2020-10-21","18:00:00",""
"4038334","62.025","0.004","5.3766","0.0003","8.2455","0.0005","90","","92.464","0.002","90","","2747.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal","Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00531","","","0.71073","MoKα","","0.0757","0.0576","","","0.1225","0.1326","","","","","","1.084","","","","has coordinates","251866","2020-10-21","18:00:00",""
"4038335","10.9495","0.0013","10.4491","0.001","17.3052","0.0017","90","","94.99","0.011","90","","1972.4","0.4","286","4","286","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Cheng, Bin; Li, Yuntong; Wang, Taimin; Zhang, Xinping; Li, Hui; He, YiXuan; Li, Yun; Zhai, Hongbin","Application of Pyridinium 1,4-Zwitterionic Thiolates: Synthesis of Benzopyridothiazepines and Benzothiophenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00374","","","0.71073","MoKα","","0.1104","0.0618","","","0.1222","0.1582","","","","","","1.041","","","","has coordinates","251867","2020-10-21","18:00:00",""
"4038336","10.384","0.008","10.986","0.008","19.425","0.014","102.72","0.02","92.22","0.04","109.91","0.03","2017","3","293","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N2 O5 -","- C50 H48 N2 O5 -","- C100 H96 N4 O10 -","2","1","","Schmidt, Elena Yu; Tatarinova, Inna V.; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Oxaazabicyclooctene Oxides, Another Type of Bridgehead Nitrones: Diastereoselective Assembly from Acetylene gas, Ketones and Hydroxyl Amine.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00742","","","0.71073","MoKα","","0.1074","0.0539","","","0.1121","0.1309","","","","","","1.06","","","","has coordinates","251868","2020-10-21","18:00:00",""
"4038337","8.234","0.0002","12.4121","0.0004","16.2533","0.0005","90","","90","","90","","1661.11","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O -","- C20 H27 N O -","- C80 H108 N4 O4 -","4","1","","Taeufer, Tobias; Pospech, Jola","Palladium-Catalyzed Synthesis of <i>N</i>,<i>N-</i>Dimethylanilines via Buchwald-Hartwig Amination of (Hetero)aryl Triflates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00491","","","1.54178","CuKα","","0.0453","0.0442","","","0.1217","0.1234","","","","","","1.052","","","","has coordinates","251933","2020-10-21","18:00:00",""
"4038338","12.061","0.002","28.652","0.005","16.333","0.003","90","","102.425","0.002","90","","5512","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C240 H228 N12 O72 -","12","3","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","0.71073","MoKα","","0.0554","0.0474","","","0.1204","0.1269","","","","","","1.123","","","","has coordinates,has disorder","251955","2020-10-21","18:00:00",""
"4038339","13.342","0.002","9.109","0.002","15.058","0.003","90","","116.028","0.002","90","","1644.4","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O7 -","- C16 H19 N O7 -","- C64 H76 N4 O28 -","4","1","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","0.71073","MoKα","","0.0408","0.0388","","","0.0927","0.094","","","","","","1.167","","","","has coordinates","251956","2020-10-21","18:00:00",""
"4038340","6.8579","0.0004","24.7186","0.0016","7.8064","0.0005","90","","99.07","0.003","90","","1306.78","0.14","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.","Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00581","","","1.54178","CuKα","","0.0335","0.0328","","","0.0865","0.0875","","","","","","1.052","","","","has coordinates","251957","2020-10-21","18:00:00",""
"4038341","9.4118","0.0012","10.1482","0.0014","11.4542","0.0015","112.346","0.003","101.577","0.003","106.514","0.003","909.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N6 O -","- C23 H16 N6 O -","- C46 H32 N12 O2 -","2","1","","Tsyrenova, Biligma; Khrustalev, Victor N.; Nenajdenko, Valentine Georgievich","2H-bis-1,2,3-triazolo-isoquinoline. Design, synthesis and photophysical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00263","","","0.71073","MoKα","","0.1202","0.0792","","","0.1899","0.2167","","","","","","1.053","","","","has coordinates","251986","2020-10-21","18:00:00",""
"4038342","9.4834","0.0008","10.9838","0.0009","26.644","0.002","90","","98.619","0.003","90","","2744","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N3 O2 -","- C34 H31 N3 O2 -","- C136 H124 N12 O8 -","4","1","","Tripathi, Shashank; Ambule, Mayur Diliprao; Srivastava, Ajay Kumar","Construction of Highly Functionalized Piperazinones <i>via</i> post-Ugi Cyclization and Diastereoselective Nucleophilic Addition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00108","","","0.71073","MoKα","","0.1018","0.0519","","","0.1461","0.1791","","","","","","1.089","","","","has coordinates","251987","2020-10-21","18:00:00",""
"4038343","16.0762","0.0007","4.1491","0.0002","23.3019","0.0011","90","","95.784","0.002","90","","1546.36","0.12","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bromomethyl chlorobenzo selenophen chlorophenyl methanone","(3-(bromomethyl)-6-chlorobenzo[b]selenophen-2-yl)(4-chlorophenyl)methanone","","- C16 H9 Br Cl2 O Se -","- C16 H9 Br Cl2 O Se -","- C64 H36 Br4 Cl8 O4 Se4 -","4","1","","Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson","Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00741","","","0.71073","MoKα","","0.0752","0.0561","","","0.1659","0.1758","","","","","","1.089","","","","has coordinates","251988","2020-10-21","18:00:00",""
"4038344","7.0078","0.0004","9.6334","0.0006","13.8589","0.0008","110.327","0.002","92.316","0.002","96.373","0.002","868.78","0.09","127","2","127","2","","","","","","","","3","P -1","-P 1","2","methylene phenyl phenylselanyl selenochromene","4-methylene-2-phenyl-3-(phenylselanyl)-4H-selenochromene","","- C22 H16 Se2 -","- C22 H16 Se2 -","- C44 H32 Se4 -","2","1","","Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson","Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00741","","","0.71073","MoKα","","0.0268","0.0225","","","0.0535","0.0551","","","","","","1.056","","","","has coordinates","251989","2020-10-21","18:00:00",""
"4038345","10.9761","0.0008","11.2566","0.0008","17.267","0.0013","90","","98.209","0.002","90","","2111.5","0.3","273.15","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C96 H100 N4 O16 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0914","0.0489","","","0.105","0.121","","","","","","1.03","","","","has coordinates,has disorder","251990","2020-10-21","18:00:00",""
"4038346","15.0965","0.0009","12.1682","0.0007","21.8118","0.0012","90","","94.212","0.002","90","","3995.9","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 N4 O6 S2 -","- C37 H40 N4 O6 S2 -","- C148 H160 N16 O24 S8 -","4","0.5","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0586","0.0385","","","0.0995","0.1092","","","","","","1.027","","","","has coordinates","251991","2020-10-21","18:00:00",""
"4038347","12.7711","0.0008","11.491","0.0007","16.0665","0.001","90","","101.628","0.002","90","","2309.4","0.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Br N2 O3 S -","- C23 H29 Br N2 O3 S -","- C92 H116 Br4 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.045","0.0306","","","0.0798","0.0844","","","","","","1.051","","","","has coordinates","251992","2020-10-21","18:00:00",""
"4038348","5.9218","0.0006","21.635","0.002","17.5661","0.0016","90","","98.815","0.004","90","","2224","0.4","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl N2 O3 S -","- C23 H27 Cl N2 O3 S -","- C92 H108 Cl4 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0656","0.0397","","","0.0915","0.1014","","","","","","1.027","","","","has coordinates","251993","2020-10-21","18:00:00",""
"4038349","10.5538","0.0007","21.7626","0.0014","10.9319","0.0007","90","","116.908","0.002","90","","2239","0.3","273.15","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O3 S -","- C24 H30 N2 O3 S -","- C96 H120 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0572","0.0399","","","0.1014","0.1099","","","","","","1.039","","","","has coordinates","251994","2020-10-21","18:00:00",""
"4038350","8.904","0.0005","11.4226","0.0007","11.9517","0.0007","81.001","0.002","89.408","0.002","77.106","0.002","1169.95","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Br Cl N2 O4 S -","- C25 H22 Br Cl N2 O4 S -","- C50 H44 Br2 Cl2 N4 O8 S2 -","2","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0563","0.0374","","","0.0955","0.1019","","","","","","1.063","","","","has coordinates","251995","2020-10-21","18:00:00",""
"4038351","11.8945","0.0009","21.4091","0.0015","28.158","0.002","90","","96.41","0.003","90","","7125.6","0.9","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.32 H41.26 N4 O6.32 S2 -","- C37.3165 H41.266 N4 O6.3165 S2 -","- C298.532 H330.128 N32 O50.532 S16 -","8","2","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0717","0.0522","","","0.1222","0.1309","","","","","","1.102","","","","has coordinates,has disorder","251996","2020-10-21","18:00:00",""
"4038352","5.9971","0.0002","19.0997","0.0008","20.3305","0.0008","69.0014","0.0014","87.1419","0.0016","87.6311","0.0016","2170.67","0.15","273.15","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O3 S2 -","- C24 H25 N O3 S2 -","- C96 H100 N4 O12 S8 -","4","2","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0621","0.0386","","","0.0934","0.1009","","","","","","1.05","","","","has coordinates","251997","2020-10-21","18:00:00",""
"4038353","9.0972","0.0004","10.3026","0.0004","16.9599","0.0007","90","","93.482","0.002","90","","1586.63","0.11","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0614","0.0371","","","0.087","0.0958","","","","","","1.056","","","","has coordinates","251998","2020-10-21","18:00:00",""
"4038354","15.4987","0.0008","11.7051","0.0006","21.9098","0.0011","90","","90.544","0.002","90","","3974.6","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 O4 S -","- C20 H24 N2 O4 S -","- C160 H192 N16 O32 S8 -","8","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.059","0.0419","","","0.0953","0.1041","","","","","","1.022","","","","has coordinates,has disorder","251999","2020-10-21","18:00:00",""
"4038355","10.5408","0.0007","11.4873","0.0007","19.3042","0.0013","90","","102.914","0.002","90","","2278.3","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O3 S -","- C25 H32 N2 O3 S -","- C100 H128 N8 O12 S4 -","4","1","","Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.","A rearrangement of 3-hydroxyazetidines into 2-oxazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00656","","x-ray","0.71073","MoKα","","0.0591","0.0396","","","0.097","0.1044","","","","","","1.038","","","","has coordinates","252000","2020-10-21","18:00:00",""
"4038356","11.2212","0.0002","11.8966","0.0002","14.6501","0.0002","90","","90","","90","","1955.7","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 Cl5 N2 Pd -","- C15 H27 Cl5 N2 Pd -","- C60 H108 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.0204","0.0182","","","0.0375","0.0381","","","","","","1.036","","","","has coordinates","252026","2020-10-21","18:00:00",""
"4038357","8.3932","0.0003","13.9575","0.0004","17.1315","0.0005","90","","101.894","0.002","90","","1963.84","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H54 Cl10 N4 Pd2 -","- C30 H54 Cl10 N4 Pd2 -","- C60 H108 Cl20 N8 Pd4 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.033","0.0268","","","0.0539","0.0556","","","","","","1.054","","","","has coordinates","252027","2020-10-21","18:00:00",""
"4038358","17.7611","0.0012","6.7132","0.0004","21.4546","0.0014","90","","108.886","0.002","90","","2420.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N7 O11 -","- C22 H23 N7 O11 -","- C88 H92 N28 O44 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.0664","0.0545","","","0.1456","0.1561","","","","","","1.031","","","","has coordinates","252028","2020-10-21","18:00:00",""
"4038359","16.5022","0.0018","10.2548","0.0011","17.2164","0.0017","90","","104.336","0.004","90","","2822.8","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H108 Li8 N4 O4 -","- C46 H108 Li8 N4 O4 -","- C92 H216 Li16 N8 O8 -","2","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.049","0.0415","","","0.104","0.1078","","","","","","1.04","","","","has coordinates,has disorder","252029","2020-10-21","18:00:00",""
"4038360","13.6817","0.0004","7.8188","0.0002","16.3276","0.0005","90","","90","","90","","1746.64","0.09","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H23 Cl5 N2 Pd -","- C12 H23 Cl5 N2 Pd -","- C48 H92 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.02","0.0183","","","0.0394","0.0399","","","","","","1.105","","","","has coordinates","252030","2020-10-21","18:00:00",""
"4038361","26.7679","0.0003","10.09187","0.00012","28.899","0.0003","90","","92.1046","0.0009","90","","7801.46","0.15","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 Ni O P2 Si -","- C40 H64 Ni O P2 Si -","- C320 H512 Ni8 O8 P16 Si8 -","8","1","","Nakatani, Syun; Ito, Yuri; Sakurai, Shun; Kodama, Takuya; Tobisu, Mamoru","Nickel-Catalyzed Decarbonylation of Acylsilanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00772","","x-ray","1.54184","CuKα","","0.0371","0.0329","","","0.0893","0.092","","","","","","1.051","","","","has coordinates","252031","2020-10-21","18:00:00",""
"4038362","16.643","0.003","21.249","0.004","14.381","0.003","90","","90","","90","","5085.8","1.7","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H22 N2 O2 Se2 -","- C30 H22 N2 O2 Se2 -","- C240 H176 N16 O16 Se16 -","8","1","","Liu, Zhengfen; Jiang, Yonggang; Liu, Chunxiang; Zhang, Linlin; Wang, Jing; Li, Tiantian; Zhang, Hongbin; Li, Minyan; Yang, Xiaodong","Metal-free Synthesis of Phenol-Aryl Selenides via Dehydrogenative C-Se Coupling of Aryl Selenoxides with Phenols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00792","","","0.71073","MoKα","","0.0893","0.041","","","0.0692","0.0861","","","","","","0.994","","","","has coordinates","252058","2020-10-21","18:00:00",""
"4038363","19.113","0.005","17.823","0.005","19.861","0.006","90","","100.954","0.015","90","","6642","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCZ696-FILIPPA9-087-PHCH3","","","- C64 H92 Cl4 Mg4 O13 -","- C64 H92 Cl4 Mg4 O13 -","- C256 H368 Cl16 Mg16 O52 -","4","1","","Gu, Xingxian; Zhao, Jibin; Chen, Like; Li, Yunzhong; Yu, Bo; Tian, Xiangguang; Min, Zhongcheng; Xu, Su; Gu, Huijuan; Sun, Junjie; Lu, Xiaoquan; Chang, Meng; Wang, Xufan; Zhao, Liqun; Ye, Shengqing; Yang, Hongwei; Tian, Yingtao; Gao, Feng; Gai, Yu; Jia, Guanghua; Wu, Jingjing; Wang, Yan; Zhang, Jianghua; Zhang, Xuesong; Liu, Weichun; Gu, Xin; Luo, Xi; Dong, Hai; Wang, Huaimin; Schenkel, Berthold; Venturoni, Francesco; Filipponi, Paolo; Guelat, Bertrand; Allmendinger, Thomas; Wietfeld, Bernhard; Hoehn, Pascale; Kovacic, Nikola; Hermann, Luca; Schlama, Thierry; Ruch, Thomas; Derrien, Nadine; Piechon, Philippe; Kleinbeck, Florian","Application of Transition-Metal Catalysis, Biocatalysis, and Flow Chemistry as State-of-the-Art Technologies in the Synthesis of LCZ696.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00473","","","1.54178","CuKα","","0.0824","0.0491","","","0.1078","0.1237","","","","","","1.009","","","","has coordinates,has disorder","252107","2020-10-21","18:00:00",""
"4038364","13.34132","0.00011","11.57043","0.00008","16.78264","0.00015","90","","112.395","0.001","90","","2395.26","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F3 N6 O3 P S -","- C21 H22 F3 N6 O3 P S -","- C84 H88 F12 N24 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0291","0.0285","","","0.0754","0.0759","","","","","","1.02","","","","has coordinates,has disorder","252108","2020-10-21","18:00:00",""
"4038365","12.7884","0.0005","5.86021","0.00018","21.1423","0.0009","90","","107.479","0.004","90","","1511.3","0.1","100","0.4","100","0.4","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl2 F3 N2 O3 P S -","- C11 H8 Cl2 F3 N2 O3 P S -","- C44 H32 Cl8 F12 N8 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.1047","0.1052","","","","","","1.129","","","","has coordinates","252109","2020-10-21","18:00:00",""
"4038366","8.9698","0.0002","9.62662","0.00019","11.5862","0.00018","93.2154","0.0014","102.334","0.0017","90.6727","0.0019","975.54","0.03","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H11 F3 N3 O3 P S3 -","- C17 H11 F3 N3 O3 P S3 -","- C34 H22 F6 N6 O6 P2 S6 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.103","0.1051","","","","","","1.042","","","","has coordinates","252110","2020-10-21","18:00:00",""
"4038367","8.73091","0.00008","7.86576","0.00005","11.09899","0.00009","90","","110.593","0.001","90","","713.521","0.011","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C11 H8 F7 N2 O3 P S -","- C11 H8 F7 N2 O3 P S -","- C22 H16 F14 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.023","0.023","","","0.0634","0.0634","","","","","","1.085","","","","has coordinates","252111","2020-10-21","18:00:00",""
"4038368","17.552","0.0002","8.75829","0.00009","16.02248","0.00019","90","","113.469","0.0014","90","","2259.3","0.05","99.99","0.17","99.99","0.17","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H16 F3 N2 O3 P S -","- C27 H16 F3 N2 O3 P S -","- C108 H64 F12 N8 O12 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0402","0.04","","","0.1091","0.1092","","","","","","1.092","","","","has coordinates","252112","2020-10-21","18:00:00",""
"4038369","13.827","0.0002","13.9544","0.0003","20.1132","0.0003","73.762","0.002","72.102","0.001","78.218","0.002","3515.84","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 F3 N6 O3.5 P S -","- C31 H43 F3 N6 O3.5 P S -","- C124 H172 F12 N24 O14 P4 S4 -","4","2","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0635","0.0609","","","0.1638","0.1668","","","","","","1.024","","","","has coordinates,has disorder","252113","2020-10-21","18:00:00",""
"4038370","7.0876","0.0003","12.8437","0.0004","13.035","0.0004","116.376","0.003","101.678","0.003","96.308","0.003","1013.7","0.07","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 F3 N3 O3 P S -","- C21 H15 F3 N3 O3 P S -","- C42 H30 F6 N6 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.043","0.0413","","","0.1124","0.1148","","","","","","1.035","","","","has coordinates","252114","2020-10-21","18:00:00",""
"4038371","9.33396","0.00012","8.28139","0.0001","11.25557","0.00014","90","","109.401","0.0014","90","","820.629","0.019","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C11 H8 Cl4 F3 N2 O3 P S -","- C11 H8 Cl4 F3 N2 O3 P S -","- C22 H16 Cl8 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0246","0.0246","","","0.0587","0.0587","","","","","","1.092","","","","has coordinates,has disorder","252115","2020-10-21","18:00:00",""
"4038372","6.71538","0.00017","6.98592","0.00018","10.6276","0.0002","91.2912","0.0019","107.15","0.002","108.239","0.002","448.83","0.02","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H4 Cl2 N P S -","- C7 H4 Cl2 N P S -","- C14 H8 Cl4 N2 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0229","0.0223","","","0.0608","0.0612","","","","","","1.074","","","","has coordinates","252116","2020-10-21","18:00:00",""
"4038373","8.62852","0.00012","13.86704","0.00018","9.96682","0.00011","90","","93.9632","0.0012","90","","1189.7","0.03","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl2 N P -","- C13 H8 Cl2 N P -","- C52 H32 Cl8 N4 P4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.024","0.0232","","","0.0626","0.0634","","","","","","1.04","","","","has coordinates","252117","2020-10-21","18:00:00",""
"4038374","12.4333","0.0005","5.84986","0.00019","14.1072","0.0005","90","","109.657","0.004","90","","966.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl2 N P -","- C9 H6 Cl2 N P -","- C36 H24 Cl8 N4 P4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0633","0.0625","","","0.1577","0.1596","","","","","","1.086","","","","has coordinates","252118","2020-10-21","18:00:00",""
"4038375","7.2241","0.0005","9.0577","0.0007","10.9162","0.0008","95.055","0.003","99.126","0.003","109.45","0.003","657.34","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 F3 N2 O3 P S -","- C11 H8 F3 N2 O3 P S -","- C22 H16 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","","0.71073","MoKα","","0.0406","0.034","","","0.0875","0.0915","","","","","","1.044","","","","has coordinates","252119","2020-10-21","18:00:00",""
"4038376","17.327","0.00013","12.54811","0.0001","19.52034","0.00014","90","","99.518","0.0007","90","","4185.71","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 F3 N6 O4 P S -","- C37 H56 F3 N6 O4 P S -","- C148 H224 F12 N24 O16 P4 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0439","0.0407","","","0.111","0.1148","","","","","","1.053","","","","has coordinates","252120","2020-10-21","18:00:00",""
"4038377","30.88","0.0003","7.96591","0.00007","29.4064","0.0003","90","","110.09","0.001","90","","6793.45","0.12","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H21.13 F9 N6 O9 P S3 -","- C26.999 H21.13 F9 N5.9995 O9 P S3 -","- C215.992 H169.04 F72 N47.996 O72 P8 S24 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.071","0.0697","","","0.1846","0.1857","","","","","","1.043","","","","has coordinates,has disorder","252121","2020-10-21","18:00:00",""
"4038378","8.79642","0.0001","19.3254","0.0002","42.267","0.0006","90","","90","","90","","7185.15","0.15","99.99","0.18","99.99","0.18","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 F3 N6 O3 P S -","- C41 H30 F3 N6 O3 P S -","- C328 H240 F24 N48 O24 P8 S8 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0485","0.0451","","","0.1107","0.1131","","","","","","1.11","","","","has coordinates","252122","2020-10-21","18:00:00",""
"4038379","10.0533","0.0005","10.1641","0.0006","10.8552","0.0006","63.909","0.002","72.068","0.002","64.666","0.002","890.53","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0516","0.0408","","","0.1046","0.1126","","","","","","1.066","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038380","7.9278","0.001","8.4094","0.001","15.9103","0.0019","81.239","0.006","78.859","0.006","75.503","0.006","1001.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O5 S -","- C23 H22 O5 S -","- C46 H44 O10 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0397","0.0354","","","0.092","0.0952","","","","","","1.061","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038381","8.5546","0.0002","9.0687","0.0002","9.976","0.0002","85.885","0.001","73.753","0.001","86.552","0.001","740.46","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C34 H32 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0348","0.0312","","","0.0833","0.086","","","","","","1.059","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038382","9.0626","0.0002","9.7391","0.0002","11.0422","0.0002","74.248","0.001","73.079","0.001","84.706","0.001","897.3","0.03","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C44 H34 F2 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0429","0.0351","","","0.0973","0.104","","","","","","1.09","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038383","9.4622","0.0006","9.7507","0.0006","13.1691","0.001","98.226","0.003","101.267","0.003","117.085","0.003","1022.78","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O5 S -","- C24 H22 O5 S -","- C48 H44 O10 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0724","0.0617","","","0.1574","0.1696","","","","","","1.163","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038384","12.1394","0.0008","12.8311","0.0009","16.4085","0.0012","107.146","0.003","97.16","0.003","95.193","0.003","2401.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O6 S -","- C24 H22 O6 S -","- C96 H88 O24 S4 -","4","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.103","0.0669","","","0.1621","0.1813","","","","","","1.079","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038385","8.1007","0.0008","25.249","0.003","11.9527","0.0011","90","","104.451","0.005","90","","2367.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O7 S -","- C26 H26 O7 S -","- C104 H104 O28 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0418","0.0345","","","0.0824","0.0867","","","","","","1.055","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038386","19.3636","0.0003","13.1724","0.0002","14.6482","0.0003","90","","96.835","0.001","90","","3709.69","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O7 S -","- C20 H22 O7 S -","- C160 H176 O56 S8 -","8","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0395","0.0329","","","0.0877","0.0921","","","","","","1.035","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038387","8.6178","0.0007","9.0183","0.0007","9.6399","0.0008","79.873","0.004","75.377","0.004","85.646","0.004","713.24","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O4 S2 -","- C15 H14 O4 S2 -","- C30 H28 O8 S4 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.036","0.0321","","","0.0793","0.0824","","","","","","1.04","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038388","10.592","0.004","10.873","0.005","11.134","0.004","100.081","0.013","94.108","0.013","96.439","0.012","1249","0.9","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O4 -","- C32 H32 O4 -","- C64 H64 O8 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.1193","0.0837","","","0.2196","0.2436","","","","","","1.065","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038389","11.0688","0.0009","14.9195","0.0013","7.8135","0.0007","90","","101.658","0.002","90","","1263.71","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F O2 -","- C16 H15 F O2 -","- C64 H60 F4 O8 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0362","0.0317","","","0.0821","0.0852","","","","","","1.058","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038390","14.7692","0.0017","10.2619","0.0012","5.9666","0.0006","90","","90","","90","","904.3","0.17","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C19 H22 Cl2 O4 -","- C19 H22 Cl2 O4 -","- C38 H44 Cl4 O8 -","2","0.5","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0304","0.0293","","","0.0788","0.0795","","","","","","1.064","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038391","8.3017","0.0005","10.384","0.0006","21.381","0.0012","90","","94.188","0.003","90","","1838.22","0.19","99","2","99","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C92 H80 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0385","0.0324","","","0.0847","0.0891","","","","","","1.045","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038392","8.3081","0.0003","10.2495","0.0003","20.9221","0.0007","90","","94.604","0.002","90","","1775.85","0.1","99","2","99","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C88 H68 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.0615","0.0448","","","0.1119","0.121","","","","","","1.023","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038393","20.676","0.002","14.0649","0.0014","9.2725","0.0008","90","","101.965","0.004","90","","2637.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O6 S2 -","- C30 H28 O6 S2 -","- C120 H112 O24 S8 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin","CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00035","","","0.71073","MoKα","","0.1252","0.0982","","","0.2655","0.2791","","","","","","1.067","","","","has coordinates","252123","2020-10-21","18:00:00",""
"4038394","4.9482","0.0006","26.28","0.003","32.363","0.003","90","","90","","90","","4208.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O -","- C28 H23 N O -","- C224 H184 N8 O8 -","8","1","","Zhang, Jie; Wang, Jia-Yin; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Ligand-Free Pd-Catalyzed Synthesis of 3-Allylbenzofurans by Merging Decarboxylative Allylation and Nucleophilic Cyclization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00375","","","1.54178","CuKα","","0.1883","0.1172","","","0.3104","0.3626","","","","","","1.056","","","","has coordinates","252183","2020-10-21","18:00:00",""
"4038395","18.6894","0.0006","12.8738","0.0004","25.594","0.0008","90","","105.831","0.003","90","","5924.4","0.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 N3 Ni O2 P -","- C32 H28 N3 Ni O2 P -","- C256 H224 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.063","0.0408","","","0.0932","0.1061","","","","","","1.047","","","","has coordinates","252184","2020-10-21","18:00:00",""
"4038396","18.6292","0.0011","12.8456","0.0008","25.5273","0.0014","90","","106.687","0.006","90","","5851.5","0.6","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H32 N3 Ni O2 P -","- C33 H32 N3 Ni O2 P -","- C264 H256 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.0676","0.0452","","","0.1164","0.1299","","","","","","1.061","","","","has coordinates","252185","2020-10-21","18:00:00",""
"4038397","9.5507","0.0005","12.2508","0.0008","14.2643","0.0008","94.414","0.005","106.298","0.005","107.793","0.005","1500.91","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","guo_1","","- C28 H26 Fe I O5 P -","- C28 H26 Fe I O5 P -","- C56 H52 Fe2 I2 O10 P2 -","2","1","","Guo, Le; Gao, Yanpeng; Wang, Zishuo; Li, Zhi; Zhang, Yingjie; Wang, Haidong; Chen, Xihui; Gong, Zhenbo; Chen, Shufeng","Regio- and Stereoselective Synthesis of Highly Functionalized Tetrasubstituted Olefins by Iodine-Mediated Iodofunctionalization of Ferrocene-Containing Allenylphosphonates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00762","","x-ray","0.71073","MoKα","","0.0539","0.038","","","0.0854","0.0948","","","","","","1.016","","","","has coordinates","252217","2020-10-21","18:00:00",""
"4038398","25.9881","0.0004","25.9881","0.0004","13.308","0.0003","90","","90","","90","","8988","0.3","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C22 H19 Au Cl O P -","- C22 H19 Au Cl O P -","- C352 H304 Au16 Cl16 O16 P16 -","16","2","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.0476","0.0414","","","0.1155","0.12","","","","","","1.042","","","","has coordinates","252218","2020-10-21","18:00:00",""
"4038399","20.6268","0.0012","8.2898","0.0009","11.4377","0.0006","90","","101.734","0.005","90","","1914.9","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H40 O5 P2 -","- C44 H40 O5 P2 -","- C88 H80 O10 P4 -","2","0.5","","Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François","Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00545","","x-ray","1.54184","CuKα","","0.05","0.0452","","","0.1218","0.1291","","","","","","1.074","","","","has coordinates","252219","2020-10-21","18:00:00",""
"4038402","6.3496","0.0001","9.8492","0.0002","29.5775","0.0007","90","","92.445","0.001","90","","1848.05","0.06","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O4 S -","- C17 H18 N4 O4 S -","- C68 H72 N16 O16 S4 -","4","1","","Im, Jangbin; Shin, Sang Ik; Shin, Seunghoon","Aminooxygenation of Ynamides with N-Hydroxybenzotriazoles: Synthesis of α-Benzotriazolyl Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00174","","","0.71073","MoKα","","0.0873","0.0572","","","0.1246","0.137","","","","","","1.032","","","","has coordinates","252260","2020-10-21","18:00:00",""
"4038403","10.2605","0.0002","14.0437","0.0002","17.4967","0.0003","106.954","0.0009","98.7405","0.0009","105.299","0.0009","2253.44","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 F3 N4 O4 S -","- C23 H19 F3 N4 O4 S -","- C92 H76 F12 N16 O16 S4 -","4","2","","Im, Jangbin; Shin, Sang Ik; Shin, Seunghoon","Aminooxygenation of Ynamides with N-Hydroxybenzotriazoles: Synthesis of α-Benzotriazolyl Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00174","","","0.71073","MoKα","","0.071","0.0503","","","0.1218","0.1336","","","","","","1.029","","","","has coordinates,has disorder","252261","2020-10-21","18:00:00",""
"4038404","33.185","0.005","5.9809","0.0009","16.116","0.003","90","","109.647","0.003","90","","3012.4","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H32 O9 S2 -","- C33 H32 O9 S2 -","- C132 H128 O36 S8 -","4","1","","Maikhuri, Vipin Kumar; Khatri, Vinod; Kumar, Amit; Singh, Balram; Prasad, Ashok K.","Synthesis of Sugar Diene and its Pd-catalyzed Transformation into Chromanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00432","","","0.71073","MoKα","","0.0369","0.0317","","","0.0689","0.0709","","","","","","0.991","","","","has coordinates","252286","2020-10-21","18:00:00",""
"4038405","4.6677","0.0003","11.0185","0.0007","13.017","0.0008","90","","90.865","0.002","90","","669.4","0.07","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C30 H12 F8 I2 N2 O2 -","2","1","","Brittain, William David George; Cobb, Steven L.","Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03322","","x-ray","0.71073","MoKα","","0.0176","0.0163","","","0.0397","0.0401","","","","","","1.048","","","","has coordinates","252287","2020-10-21","18:00:00",""
"4038406","12.3523","0.0003","12.789","0.0003","12.8327","0.0003","90","","94.17","0.002","90","","2021.86","0.08","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F4 I2 N O2 -","- C20 H13 F4 I2 N O2 -","- C80 H52 F16 I8 N4 O8 -","4","1","","Brittain, William David George; Cobb, Steven L.","Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03322","","x-ray","0.71073","MoKα","","0.0426","0.0294","","","0.0642","0.0711","","","","","","1.024","","","","has coordinates","252288","2020-10-21","18:00:00",""
"4038407","8.2239","0.001","11.2158","0.0011","25.146","0.003","90","","90","","90","","2319.4","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 F3 N O S -","- C12 H8 F3 N O S -","- C96 H64 F24 N8 O8 S8 -","8","1","","Yoo, Jeyeon; Ha, Heun-Jong; Kim, Bora; Cho, Chang-Woo","Synthesis of α-Trifluoromethylthio-α,β-unsaturated Carbonyl Compounds by DABCO-Mediated Electrophilic Trifluoromethylthiolation with <i>N</i>-SCF<sub>3</sub>-dibenzenesulfonimide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00448","","","0.71073","MoKα","","0.0823","0.0588","","","0.1393","0.1554","","","","","","1.042","","","","has coordinates","252289","2020-10-21","18:00:00",""
"4038408","8.92","0.008","13.754","0.012","17.019","0.017","90","","103.67","0.02","90","","2029","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 F N O2 -","- C26 H20 F N O2 -","- C104 H80 F4 N4 O8 -","4","1","","Nagireddy, Attunuri; Singam, Maneesh Kumar Reddy; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi","Base Mediated Cyclopentannulation of Ynones with Amino Crotonates for Regio- & Stereoselective Synthesis of Pentafulvenes and Cyclopenta[c]quinolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00203","","","0.71073","MoKα","","0.0855","0.058","","","0.1613","0.1811","","","","","","1.161","","","","has coordinates","252361","2020-10-21","18:00:00",""
"4038409","14.3278","0.0008","16.401","0.0009","28.7615","0.0016","90","","90","","90","","6758.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H54 B F4 N4 P -","- C31 H54 B F4 N4 P -","- C248 H432 B8 F32 N32 P8 -","8","1","","Mboyi, Clève Dionel; Poater, Albert; Poater, Jordi; Duhayon, Carine; Chauvin, Remi","Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00847","","","0.71073","MoKα","","0.0828","0.0575","","0.0627","0.0477","0.0437","","","","","","1.102","","","","has coordinates","252362","2020-10-21","18:00:00",""
"4038410","6.7935","0.0002","8.8102","0.0003","9.8737","0.0004","101.487","0.002","108.498","0.002","106.224","0.002","510.53","0.03","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","1","","Castillo, Juan-Carlos; Castro-Agudelo, Brian; Gálvez, Jaime; Carissan, Yannick; Rodríguez, Jean; Coquerel, Yoann","Periselectivity in the aza-Diels-Alder cycloaddition between α-oxoketenes and N-(5-pyrazolyl)imines: a combined experimental and theoretical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00767","","","0.71073","MoKα","","0.0821","0.0563","","","0.1638","0.1974","","","","","","1.202","","","","has coordinates","252363","2020-10-21","18:00:00",""
"4038411","9.7851","0.0002","10.0054","0.0003","17.1038","0.0004","99.977","0.002","101.184","0.002","90.391","0.002","1616.47","0.07","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H42 O13 -","- C32 H42 O13 -","- C64 H84 O26 -","2","1","","Castillo, Juan-Carlos; Castro-Agudelo, Brian; Gálvez, Jaime; Carissan, Yannick; Rodríguez, Jean; Coquerel, Yoann","Periselectivity in the aza-Diels-Alder cycloaddition between α-oxoketenes and N-(5-pyrazolyl)imines: a combined experimental and theoretical study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00767","","x-ray","1.54184","CuKα","","0.055","0.0492","","","0.1466","0.1554","","","","","","1.05","","","","has coordinates","252364","2020-10-21","18:00:00",""
"4038414","12.3713","0.0014","30.827","0.003","15.0142","0.0013","90","","95.618","0.009","90","","5698.5","1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N2 O2 -","- C38 H28.5 N2 O2 -","- C304 H228 N16 O16 -","8","2","","Isar, Prosenjit; Ravikanth, Mangalampalli","Dibenzoylbenzodipyrroles: Key Precursors for the Synthesis of Fused Meso-Aryl Sapphyrins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00663","","x-ray","0.71073","MoKα","","0.2673","0.0982","","","0.1886","0.2939","","","","","","0.97","","","","has coordinates","252398","2020-10-21","18:00:00",""
"4038415","7.3016","0.0003","9.599","0.0003","13.3084","0.0005","72.04","0.001","82.871","0.001","71.691","0.001","842.01","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Peng, Xing-Rong; Shi, Qiangqiang; Yang, Jing; Su, Haiguo; Zhou, Lin; Qiu, Ming-Hua","Meroapplanins A‒E, Five Meroterpenoids with A 2,3,4,5-Tetrahydropyridine Motif from Ganoderma applanatum.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00842","","","1.54178","CuKα","","0.0432","0.0431","","","0.1927","0.1929","","","","","","1.884","","","","has coordinates","252399","2020-10-21","18:00:00",""
"4038416","14.6097","0.0005","14.6097","0.0005","15.4733","0.0005","90","","90","","90","","3302.67","0.19","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","[2,7,12,17-tetraethyl-3,8,13,18-tetraisopropyl-5,10,15,20-tetraphenylporphyrinato] nickel(II) DCM solvate","","- C65 H70 Cl2 N4 Ni -","- C65 H70 Cl2 N4 Ni -","- C130 H140 Cl4 N8 Ni2 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","1.54178","CuKα","","0.0777","0.077","","","0.2202","0.2208","","","","","","1.09","","","","has coordinates","252400","2020-10-21","18:00:00",""
"4038417","7.0408","0.001","9.2884","0.0013","16.116","0.003","90","","96.743","0.005","90","","1046.7","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 4-phenyl-1H-pyrrole-3-carboxylate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","0.71073","MoKα","","0.0728","0.047","","","0.1154","0.1339","","","","","","1.025","","","","has coordinates","252401","2020-10-21","18:00:00",""
"4038418","9.0803","0.0008","6.7468","0.0006","14.6471","0.0012","90","","91.91","0.002","90","","896.83","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-acetyl-4-isopropylpyrrole","","- C9 H13 N O -","- C9 H13 N O -","- C36 H52 N4 O4 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","0.71073","MoKα","","0.0669","0.0449","","","0.1015","0.1115","","","","","","1.045","","","","has coordinates","252402","2020-10-21","18:00:00",""
"4038419","27.1155","0.0007","27.1155","0.0007","27.1155","0.0007","90","","90","","90","","19936.7","0.9","100","2","100","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","2,7,12,17-tetraethyl-3,8,13,18-tetraisopropyl-5,10,15,20-tetraphenylporphyrin dication chlorine salt","","- C64 H72 Cl2 N4 -","- C64 H72 Cl2 N4 -","- C768 H864 Cl24 N48 -","12","0.25","","Kielmann, Marc; Flanagan, Keith J.; Senge, Mathias O.","Targeted Synthesis of Regioisomerically Pure Dodecasubstituted Type I Porphyrins through the Exploitation of Peri-interactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00798","","x-ray","1.54178","CuKα","","0.0786","0.0718","","","0.2016","0.2116","","","","","","1.068","","","","has coordinates","252403","2020-10-21","18:00:00",""
"4038420","11.9841","0.0011","25.969","0.003","16.0268","0.0016","90","","93.202","0.004","90","","4980","0.9","200","2","199.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H42 O3 -","- C57 H42 O3 -","- C228 H168 O12 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1211","0.0649","","","0.1359","0.1526","","","","","","1.046","","","","has coordinates","252404","2020-10-21","18:00:00",""
"4038421","11.9728","0.0006","25.983","0.0013","15.1667","0.0009","90","","96.848","0.002","90","","4684.5","0.4","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H48.6 Cl O1.3 -","- C59 H48.6 Cl O1.3 -","- C236 H194.4 Cl4 O5.2 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1452","0.0773","","","0.1939","0.2317","","","","","","1.002","","","","has coordinates,has disorder","252405","2020-10-21","18:00:00",""
"4038422","7.9861","0.0011","30.62","0.004","21.68","0.002","90","","94.355","0.004","90","","5286.2","1.1","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H27 Cl9 F12 -","- C57 H27 Cl9 F12 -","- C228 H108 Cl36 F48 -","4","1","","Zhao, Hongyan; Cao, Lei; Huang, Shiqing; Ma, Chenxing; Chang, Yunhao; Feng, Kai; Zhao, Liang-Liang; Zhao, Peng; Yan, Xiaoyu","Synthesis, Structure, and Photophysical Properties of <i>m</i>-Phenylene-Embedded Cycloparaphenylene Nanorings.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00232","","","0.71073","MoKα","","0.1387","0.0787","","","0.1504","0.1749","","","","","","1.032","","","","has coordinates","252406","2020-10-21","18:00:00",""
"4038423","15.825","0.003","7.331","0.0015","18.791","0.004","90","","102.94","0.03","90","","2124.6","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7.5 H7.5 F7.5 N7.5 O7.5 S0.75 -","- C20 H18 F7 N O3 S -","- C80 H72 F28 N4 O12 S4 -","4","1","","Wang, Weilin; Cao, Xiaohui; Xiao, Weiguo; Shi, Xiaoyu; Zuo, Xiaodan; Liu, Lingyan; Chang, Weixing; Li, Jing","Stereospecific Synthesis of cis-2,5-disubstituted pyrrolidines via N,O-acetals Formed by Hydroamination Cyclization-Hydroalkoxylation of Homopropargylic Sulfonamides in HFIP.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00403","","","0.71073","MoKα","","0.0895","0.065","","","0.1699","0.1946","","","","","","1.073","","","","has coordinates","252407","2020-10-21","18:00:00",""
"4038424","9.077","0.0003","17.0044","0.0006","11.416","0.0003","90","","93.418","0.003","90","","1758.91","0.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","0.71073","MoKα","","0.0409","0.0389","","","0.1057","0.1074","","","","","","1.028","","","","has coordinates","252408","2020-10-21","18:00:00",""
"4038425","13.078","0.0002","17.8116","0.0002","13.6505","0.0002","90","","98.684","0.001","90","","3143.3","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C160 H136 N24 O8 -","8","2","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","1.54184","CuKα","","0.0545","0.0484","","","0.1149","0.1184","","","","","","1.054","","","","has coordinates","252409","2020-10-21","18:00:00",""
"4038426","8.7653","0.0006","9.1903","0.0006","11.0216","0.0007","69.082","0.006","84.898","0.006","88.48","0.005","826.04","0.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C40 H36 N8 O2 -","2","1","","Patel, Om P. S.; Jaspal, Sonam; Shinde, Vikki N.; Nandwana, Nitesh Kumar; Rangan, Krishnan; Kumar, Anil","PIDA-Mediated 1,2-ipso-Migration in Mannich Bases of Imidazo[1,2-a]pyridines: Preparation of N-Acetoxymethyl/ Alkoxymethyl-N-arylimidazo[1,2-a]pyridine-3-amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00674","","x-ray","0.71073","MoKα","","0.093","0.0779","","","0.2427","0.2546","","","","","","1.122","","","","has coordinates","252410","2020-10-21","18:00:00",""
"4038427","13.9209","0.0003","10.0413","0.0002","14.2411","0.0003","90","","97.005","0.001","90","","1975.82","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Nagaraju, Koppanathi; Gurubrahamam, Ramani; Chen, Kwunmin","Organocatalytic Diastereoselective Synthesis of Diazoaryl-benzo[<i>b</i>]azepine Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00431","","","0.71073","MoKα","","0.0442","0.0347","","","0.0787","0.0869","","","","","","1.045","","","","has coordinates","252445","2020-10-21","18:00:00",""
"4038428","11.5479","0.0016","5.7655","0.0009","14.537","0.002","90","","110.348","0.005","90","","907.5","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","LSN3495203","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C36 H36 Br2 N2 O8 S2 -","2","1","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.083","0.0784","","","0.2155","0.2253","","","","","","1.259","","","","has coordinates","252446","2020-10-21","18:00:00",""
"4038429","15.5606","0.0006","8.3186","0.0003","19.5153","0.0007","90","","112.799","0.001","90","","2328.74","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","LSN3179159","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","4","","Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John","Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00177","","","1.54178","CuKα","","0.0563","0.0554","","","0.1851","0.1874","","","","","","1.641","","","","has coordinates","252447","2020-10-21","18:00:00",""
"4038430","6.0173","0.0002","16.885","0.0005","17.2658","0.0005","90","","90","","90","","1754.24","0.09","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Sicignano, Marina; Schettini, Rosaria; Pierri, Giovanni; Marino, Maria Leda; Izzo, Irene; De Riccardis, Francesco; Bernardi, Luca; Sala, Giorgio Della","An Entry to Enantioenriched 3,3-Disubstituted Phthalides through Asymmetric Phase-Transfer-Catalyzed γ-Alkylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00880","","","1.54178","CuKα","","0.0355","0.0343","","","0.0888","0.0898","","","","","","1.058","","","","has coordinates","252448","2020-10-21","18:00:00",""
"4038431","28.371","0.002","28.371","0.002","7.9856","0.0006","90","","90","","90","","6427.7","0.8","100","2","100","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- C22 H18 O -","- C22 H18 O -","- C352 H288 O16 -","16","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.0472","0.0449","","","0.113","0.1148","","","","","","1.04","","","","has coordinates","252459","2020-10-21","18:00:00",""
"4038432","19.1861","0.001","8.0835","0.0004","21.0439","0.0011","90","","90","","90","","3263.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O -","- C23 H20 O -","- C184 H160 O8 -","8","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.055","0.0472","","","0.1191","0.1244","","","","","","1.063","","","","has coordinates","252460","2020-10-21","18:00:00",""
"4038433","7.6953","0.0011","11.0541","0.0016","13.701","0.0017","77.15","0.011","81.52","0.011","80.98","0.012","1114.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 B2 N2 S -","- C28 H20 B2 N2 S -","- C56 H40 B4 N4 S2 -","2","1","","Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang","Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00541","","","0.71073","MoKα","","0.1396","0.066","","","0.1363","0.1783","","","","","","0.912","","","","has coordinates","252461","2020-10-21","18:00:00",""
"4038434","25.915","0.005","8.985","0.004","25.802","0.009","90","","106.34","0.03","90","","5765","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 B2 Cl3 N2 S -","- C31 H B2 Cl3 N2 S -","- C248 H8 B16 Cl24 N16 S8 -","8","1","","Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang","Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00541","","x-ray","0.71073","MoKα","","0.2107","0.1443","","","0.3537","0.4083","","","","","","1.079","","","","has coordinates","252462","2020-10-21","18:00:00",""
"4038435","14.2902","0.0002","15.0604","0.0002","6.8511","0.0001","90","","90","","90","","1474.47","0.04","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hickey, Shane; Nitschke, Samuel; Sweetman, Martin Jay; Sumby, Christopher J.; Brooks, Douglas A.; Plush, Sally E.; Ashton, Trent D.","Cross-coupling of amide and amide derivatives to umbelliferone nonaflates: synthesis of coumarin derivatives and fluorescent materials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00813","","x-ray","0.71073","MoKα","","0.0411","0.0373","","","0.0993","0.1021","","","","","","1.043","","","","has coordinates","252463","2020-10-21","18:00:00",""
"4038436","29.0174","0.0013","9.5931","0.0004","32.4315","0.0016","90","","104.701","0.002","90","","8732.3","0.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H63 N3 P2 Si8 -","- C27 H63 N3 P2 Si8 -","- C216 H504 N24 P16 Si64 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.0873","0.0485","","","0.1061","0.1248","","","","","","1.01","","","","has coordinates","252503","2020-10-21","18:00:00",""
"4038437","15.445","0.003","16.11","0.004","16.603","0.004","90","","90","","90","","4131.1","1.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H63 N3 P2 Si8 -","- C23 H63 N3 P2 Si8 -","- C92 H252 N12 P8 Si32 -","4","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.089","0.0496","","","0.1092","0.1167","","","","","","0.832","","","","has coordinates","252504","2020-10-21","18:00:00",""
"4038438","29.0404","0.0012","9.6147","0.0004","32.3626","0.0014","90","","105.309","0.002","90","","8715.5","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H65 N3 P2 Si8 -","- C28 H65 N3 P2 Si8 -","- C224 H520 N24 P16 Si64 -","8","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.0942","0.0455","","","0.0888","0.1068","","","","","","1.027","","","","has coordinates,has disorder","252505","2020-10-21","18:00:00",""
"4038439","8.8871","0.0009","12.8362","0.001","14.9048","0.0014","90","","94.848","0.009","90","","1694.2","0.3","292.9","0.1","292.9","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0991","0.0624","","","0.1323","0.1551","","","","","","1.071","","","","has coordinates","252515","2020-10-21","18:00:00",""
"4038440","29.662","0.002","10.9561","0.0008","10.6849","0.0008","90","","96.772","0.008","90","","3448.2","0.4","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C168 H160 N16 O24 -","8","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","","0.71073","MoKα","","0.0655","0.0462","","","0.1301","0.1497","","","","","","0.941","","","","has coordinates","252516","2020-10-21","18:00:00",""
"4038441","14.7542","0.0019","6.8673","0.0007","17.936","0.002","90","","105.805","0.012","90","","1748.6","0.4","292.18","0.1","292.18","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O S -","- C21 H20 N2 O S -","- C84 H80 N8 O4 S4 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0982","0.0574","","","0.1117","0.1405","","","","","","1.072","","","","has coordinates","252517","2020-10-21","18:00:00",""
"4038442","11.2878","0.0003","16.3406","0.0004","9.9479","0.0003","90","","90.224","0.003","90","","1834.87","0.09","292.8","0.2","292.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N2 O -","- C22 H21 Cl N2 O -","- C88 H84 Cl4 N8 O4 -","4","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","1.54184","CuKα","","0.0538","0.0454","","","0.1135","0.121","","","","","","1.056","","","","has coordinates","252518","2020-10-21","18:00:00",""
"4038443","8.8977","0.0014","9.224","0.002","11.7658","0.0015","86.28","0.013","69.044","0.013","67.987","0.017","833.4","0.3","292.33","0.1","292.33","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min","Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00475","","x-ray","0.71073","MoKα","","0.0948","0.061","","","0.1432","0.1701","","","","","","1.093","","","","has coordinates","252519","2020-10-21","18:00:00",""
"4038444","10.4686","0.0003","14.9205","0.0004","11.6719","0.0003","90","","111.076","0.001","90","","1701.15","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl N O2 -","- C22 H18 Cl N O2 -","- C88 H72 Cl4 N4 O8 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","x-ray","0.71073","MoKα","","0.0368","0.0324","","","0.0859","0.0897","","","","","","1.042","","","","has coordinates","252520","2020-10-21","18:00:00",""
"4038445","10.4411","0.0002","15.0003","0.0003","11.6037","0.0002","90","","111.566","0.001","90","","1690.14","0.06","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 N O2 -","- C21 H15 Cl2 N O2 -","- C84 H60 Cl8 N4 O8 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","x-ray","0.71073","MoKα","","0.0424","0.0308","","","0.0753","0.0799","","","","","","1.026","","","","has coordinates","252521","2020-10-21","18:00:00",""
"4038446","9.5913","0.0001","11.3803","0.0002","17.0706","0.0002","90","","100.599","0.001","90","","1831.5","0.04","149.98","","149.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl N2 O4 -","- C21 H15 Cl N2 O4 -","- C84 H60 Cl4 N8 O16 -","4","1","","Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb","One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00463","","","0.71073","MoKα","","0.039","0.0339","","","0.0862","0.0905","","","","","","1.027","","","","has coordinates,has disorder","252522","2020-10-21","18:00:00",""
"4038447","10.9679","0.0017","17.281","0.003","14.158","0.003","90","","106.458","0.017","90","","2573.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl N O4 S2 -","- C28 H24 Cl N O4 S2 -","- C112 H96 Cl4 N4 O16 S8 -","4","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.1674","0.0705","","","0.1624","0.2326","","","","","","0.87","","","","has coordinates","252523","2020-10-21","18:00:00",""
"4038448","8.0583","0.0008","10.8415","0.001","14.8495","0.0014","91.482","0.008","91.077","0.008","98.721","0.008","1281.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl N O4 S2 -","- C28 H24 Cl N O4 S2 -","- C56 H48 Cl2 N2 O8 S4 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.0548","0.0393","","","0.0941","0.1052","","","","","","1.047","","","","has coordinates","252524","2020-10-21","18:00:00",""
"4038449","8.0056","0.0014","11.2427","0.0019","13.774","0.003","88.955","0.015","80.052","0.016","89.787","0.014","1220.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H21 Cl F N O5 S -","- C27 H21 Cl F N O5 S -","- C54 H42 Cl2 F2 N2 O10 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai","Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00566","","x-ray","0.71073","MoKα","","0.131","0.0906","","","0.2273","0.2752","","","","","","1.015","","","","has coordinates","252525","2020-10-21","18:00:00",""
"4038450","5.2038","0.0005","19.8216","0.0019","21.82","0.002","90","","94.162","0.007","90","","2244.7","0.4","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O3 S -","- C23 H22 N2 O3 S -","- C92 H88 N8 O12 S4 -","4","1","","Omer, Humair M.; Liu, Peng; Brummond, Kay M.","Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00788","","","1.54178","CuKα","","0.0936","0.06","","","0.1538","0.1772","","","","","","0.982","","","","has coordinates","252549","2020-10-21","18:00:00",""
"4038451","15.9187","0.0005","11.306","0.0004","19.6808","0.0006","90","","107.388","0.002","90","","3380.22","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O8 S4 -","- C34 H32 O8 S4 -","- C136 H128 O32 S16 -","4","1","","Omer, Humair M.; Liu, Peng; Brummond, Kay M.","Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00788","","","1.54178","CuKα","","0.1031","0.0981","","","0.3149","0.3192","","","","","","3.588","","","","has coordinates,has disorder","252550","2020-10-21","18:00:00",""
"4038452","18.677","0.003","12.7097","0.0016","20.926","0.003","90","","110.411","0.004","90","","4655.5","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H42 Cl3 N3 S2 -","- C53 H42 Cl3 N3 S2 -","- C212 H168 Cl12 N12 S8 -","4","1","","Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi","Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00754","","","0.71073","MoKα","","0.1441","0.0764","","","0.2006","0.2587","","","","","","1.019","","","","has coordinates,has disorder","252551","2020-10-21","18:00:00",""
"4038453","13.926","0.003","14.889","0.003","18.825","0.003","90","","95.369","0.006","90","","3886.1","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H43 N3 O S -","- C49 H43 N3 O S -","- C196 H172 N12 O4 S4 -","4","2","","Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi","Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00754","","","0.71073","MoKα","","0.1641","0.0765","","","0.1589","0.2029","","","","","","0.997","","","","has coordinates","252552","2020-10-21","18:00:00",""
"4038454","31.575","0.009","4.3839","0.0012","25.202","0.007","90","","110.474","0.005","90","","3268.1","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl N2 O -","- C19 H13 Cl N2 O -","- C152 H104 Cl8 N16 O8 -","8","1","","Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu","Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00963","","","0.71073","MoKα","","0.0981","0.063","","","0.199","0.2276","","","","","","1.07","","","","has coordinates","252553","2020-10-21","18:00:00",""
"4038455","21.705","0.008","18.455","0.006","17.774","0.007","90","","112.216","0.006","90","","6591","4","128.15","","128.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H41 N2 O2.5 -","- C41.5 H41 N2 O2.5 -","- C332 H328 N16 O20 -","8","2","","Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu","Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00963","","","0.71075","MoKα","","0.0907","0.0647","","","0.1375","0.1531","","","","","","1.138","","","","has coordinates","252554","2020-10-21","18:00:00",""
"4038456","18.6397","0.0007","11.6276","0.0006","20.5913","0.0009","90","","90","","90","","4462.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F6 N2 O3 -","- C24 H14 F6 N2 O3 -","- C192 H112 F48 N16 O24 -","8","1","","Ge, Junying; Ding, Qiuping; Wang, Xinhua; Peng, Yiyuan","Three-Component Cascade Synthesis of Fully-substituted Trifluoromethyl Pyrroles via a Cu(II)/Rh(Ⅲ)-promoted aza-Michael Addition/Trifluoromethylation Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03470","","x-ray","0.71073","MoKα","","0.1469","0.1083","","","0.3634","0.3985","","","","","","1.466","","","","has coordinates","252555","2020-10-21","18:00:00",""
"4038457","10.8119","0.0001","27.364","0.0004","23.5338","0.0003","90","","93.109","0.001","90","","6952.39","0.15","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H76 Cl2 N4 O4 -","- C81 H76 Cl2 N4 O4 -","- C324 H304 Cl8 N16 O16 -","4","1","","Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert","Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00293","","x-ray","1.54184","CuKα","","0.0812","0.0697","","","0.1942","0.2086","","","","","","1.045","","","","has coordinates,has disorder","252584","2020-10-21","18:00:00",""
"4038458","17.9928","0.0001","15.5983","0.0001","29.9124","0.0003","90","","94.428","0.001","90","","8370.07","0.11","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H86 Cl4 N4 O12 -","- C90 H86 Cl4 N4 O12 -","- C360 H344 Cl16 N16 O48 -","4","1","","Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert","Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00293","","x-ray","1.54184","CuKα","","0.0886","0.0805","","","0.2274","0.2381","","","","","","1.027","","","","has coordinates,has disorder","252585","2020-10-21","18:00:00",""
"4038459","11.7009","0.001","13.1974","0.0011","19.6819","0.0017","90","","91.092","0.002","90","","3038.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H37 B N9 O4 P W -","- C25 H37 B N9 O4 P W -","- C100 H148 B4 N36 O16 P4 W4 -","4","2","","Wilde, Justin H.; Dickie, Diane A.; Harman, W. Dean","A Highly Divergent Synthesis of 3-Aminotetrahydropyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00853","","","0.71073","MoKα","","0.0292","0.0231","","","0.0448","0.0467","","","","","","1.021","","","","has coordinates","252651","2020-10-21","18:00:00",""
"4038460","28.8676","0.0012","10.9791","0.0005","18.9515","0.001","90","","120.847","0.0012","90","","5156.8","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Br N2 O4 S -","- C28 H27 Br N2 O4 S -","- C224 H216 Br8 N16 O32 S8 -","8","1","","Vachan, B. S.; Karuppasamy, Muthu; Jan, Gowsia; Bhuvanesh, Nattamai; Maheswari, C. Uma; Sridharan, Vellaisamy","Direct Access to Bridged Tetrahydroquinolines and Chromanes via an InCl<sub>3</sub>-Catalyzed Sequential Three-Component Cascade.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00893","","","0.71073","MoKα","","0.0692","0.0448","","","0.0988","0.1122","","","","","","1.021","","","","has coordinates,has disorder","252652","2020-10-21","18:00:00",""
"4038461","7.1153","0.0003","14.0361","0.0007","10.9661","0.0005","90","","106.576","0.0013","90","","1049.68","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Br2 O4 -","- C20 H28 Br2 O4 -","- C40 H56 Br4 O8 -","2","0.5","","Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian","Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00826","","x-ray","0.71073","MoKα","","0.0634","0.0286","","","0.0742","0.0908","","","","1.26","1.26","1.26","","","","has coordinates","252653","2020-10-21","18:00:00",""
"4038462","6.3185","0.0003","12.4574","0.0004","13.2815","0.0005","90","","102.049","0.002","90","","1022.38","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C44 H60 O12 -","2","0.5","","Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian","Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00826","","x-ray","0.71073","MoKα","","0.0519","0.04","","","0.1045","0.1114","","","","1.7","1.7","1.6","","","","has coordinates","252653","2020-10-21","18:00:00",""
"4038463","7.49","0.002","13.833","0.004","18.496","0.005","90","","90","","90","","1916.4","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 N O4 -","- C27 H18 O4 -","- C108 H72 O16 -","4","1","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.0752","0.048","","","0.1031","0.1174","","","","","","1.018","","","","has coordinates","252951","2020-10-21","18:00:00",""
"4038464","37.052","0.006","37.052","0.006","7.5084","0.0014","90","","90","","120","","8927","3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H16 O5 -","- C78 H54 O12 -","- C468 H324 O72 -","6","0.333333","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.1596","0.1231","","","0.4071","0.437","","","","","","1.793","","","","has coordinates","252952","2020-10-21","18:00:00",""
"4038465","8.9661","0.0008","12.1471","0.0009","12.7912","0.0013","91.881","0.007","100.721","0.008","93.595","0.007","1364.7","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 Cl6 N6 S4 Sn -","- C50 H52 Cl6 N6 S4 Sn -","- C50 H52 Cl6 N6 S4 Sn -","1","0.5","","Nagahora, Noriyoshi; Kitahara, Kana; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Shioji, Kosei; Okuma, Kentaro","Synthesis and Properties of Thiophene-Fused Thiopyrylium Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00364","","","0.71073","MoKα","","0.073","0.0482","","","0.1212","0.1331","","","","","","1.028","","","","has coordinates","252953","2020-10-21","18:00:00",""
"4038466","9.601","0.002","9.516","0.002","12.832","0.003","90","","92.868","0.004","90","","1170.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O2 -","- C12 H10 Br N O2 -","- C48 H40 Br4 N4 O8 -","4","1","","Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui","IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00625","","","0.71073","MoKα","","0.071","0.0416","","","0.0919","0.1058","","","","","","1.015","","","","has coordinates","253016","2020-10-21","18:00:00",""
"4038467","12.858","0.003","9.1867","0.0018","18.757","0.004","90","","104.697","0.003","90","","2143.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","2","","Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui","IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00625","","","0.71073","MoKα","","0.0577","0.0438","","","0.1123","0.1223","","","","","","1.029","","","","has coordinates","253017","2020-10-21","18:00:00",""
"4038468","6.043","0.002","7.662","0.002","27.127","0.008","90","","90","","90","","1256","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O5 S2 -","- C11 H13 N O5 S2 -","- C44 H52 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0675","0.0574","","","0.147","0.1577","","","","","","1.05","","","","has coordinates","253042","2020-10-21","18:00:00",""
"4038469","8.5122","0.0015","9.4305","0.0015","20.019","0.004","90","","90","","90","","1607","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O5 S2 -","- C16 H15 N O5 S2 -","- C64 H60 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0535","0.0461","","","0.1136","0.1241","","","","","","1.047","","","","has coordinates","253043","2020-10-21","18:00:00",""
"4038470","9.1129","0.0011","11.1539","0.0014","10.0597","0.0012","90","","107.223","0.004","90","","976.7","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C46 H40 N4 O4 S2 -","2","1","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.0657","0.0487","","","0.1284","0.1451","","","","","","0.933","","","","has coordinates","253044","2020-10-21","18:00:00",""
"4038471","11.3599","0.0009","8.5436","0.0007","21.1845","0.0016","90","","102.804","0.002","90","","2004.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C92 H80 N8 O8 S4 -","4","2","","Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam","Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00899","","","0.71073","MoKα","","0.084","0.0586","","","0.144","0.1701","","","","","","0.994","","","","has coordinates","253045","2020-10-21","18:00:00",""
"4038472","5.6728","0.0012","9.823","0.002","17.884","0.004","86.194","0.003","88.953","0.004","75.743","0.003","963.7","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Br O2 P -","- C22 H20 Br O2 P -","- C44 H40 Br2 O4 P2 -","2","1","","Zhao, Runmin; Huang, Xianhua; Wang, Minning; Hu, Shanshan; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","TfOH-Catalyzed Phosphinylation of 2,3-Allenols into γ-Ketophosphine Oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00328","","","0.71073","MoKα","","0.0638","0.0576","","","0.149","0.154","","","","","","1.0454","","","","has coordinates","253046","2020-10-21","18:00:00",""
"4038473","27.123","0.004","27.123","0.004","13.041","0.003","90","","90","","90","","9594","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C21 H19 Br F6 N2 O4 -","- C21 H19 Br F6 N2 O4 -","- C336 H304 Br16 F96 N32 O64 -","16","1","","Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai","Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00476","","","0.71073","MoKα","","0.1161","0.055","","","0.0952","0.116","","","","","","1.002","","","","has coordinates","253065","2020-10-21","18:00:00",""
"4038474","8.938","0.0018","14.128","0.003","14.308","0.003","90","","105.68","0.03","90","","1739.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N2 O3 -","- C18 H17 Br N2 O3 -","- C72 H68 Br4 N8 O12 -","4","1","","Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai","Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00476","","","0.71073","MoKα","","0.1904","0.0726","","","0.0964","0.121","","","","","","1.004","","","","has coordinates","253066","2020-10-21","18:00:00",""
"4038475","9.362","0.002","29.313","0.007","16.189","0.003","90","","115.546","0.011","90","","4008.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Br N4 O3 -","- C19 H11 Br N4 O3 -","- C152 H88 Br8 N32 O24 -","8","2","","Chen, Li-Jun; Yu, Jin-Hang; He, Bin; Xie, Jian-Wu; Liu, Yuan-Xiu; Zhu, Wei-Dong","Umpolung Strategy for the Synthesis of Chiral Dispiro[2-amino-4,5-dihydrofuran-3-carbonitrile]bisoxindoles","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00418","","","0.71073","MoKα","","0.0964","0.0721","","","0.1382","0.1396","","","","","","3.915","","","","has coordinates","253067","2020-10-21","18:00:00",""
"4038476","16.4728","0.0004","9.39367","0.00019","22.5176","0.0005","90","","106.731","0.003","90","","3336.87","0.14","293.1","0.2","293.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O S -","- C17 H17 Cl N2 O S -","- C136 H136 Cl8 N16 O8 S8 -","8","2","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.055","0.0464","","","0.1201","0.1292","","","","","","1.035","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038477","7.56093","0.00016","10.6632","0.0002","22.1615","0.0005","90","","91.968","0.002","90","","1785.69","0.06","290.73","0.1","290.73","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","x-ray","1.54184","CuKα","","0.046","0.0401","","","0.1036","0.1095","","","","","","1.058","","","","has coordinates","253747","2020-10-21","18:00:00",""
"4038478","17.7949","0.0005","11.2697","0.0003","10.0677","0.0003","90","","104.349","0.003","90","","1956.02","0.1","293.1","0.2","293.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","1","","Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min","Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.","The Journal of organic chemistry","2020","85","12","7666","7673","10.1021/acs.joc.9b03489","","","1.54184","CuKα","","0.077","0.0686","","","0.1982","0.2127","","","","","","1.063","","","","has coordinates,has disorder","253747","2020-10-21","18:00:00",""
"4038479","10.5278","0.0006","12.1806","0.0006","11.4454","0.0006","90","","99.627","0.002","90","","1447.03","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0918","0.0457","","","0.1092","0.1402","","","","","","1.066","","","","has coordinates","253104","2020-10-21","18:00:00",""
"4038480","11.0228","0.0006","9.1224","0.0006","22.8268","0.0014","90","","95.723","0.002","90","","2283.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br3 N O3 -","- C26 H18 Br3 N O3 -","- C104 H72 Br12 N4 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0548","0.0394","","","0.0856","0.0907","","","","","","1.07","","","","has coordinates","253105","2020-10-21","18:00:00",""
"4038481","5.9006","0.0003","15.9293","0.0009","14.4042","0.0009","90","","101.031","0.002","90","","1328.87","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl O4 -","- C16 H13 Cl O4 -","- C64 H52 Cl4 O16 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.045","0.0323","","","0.0724","0.0809","","","","","","1.044","","","","has coordinates","253106","2020-10-21","18:00:00",""
"4038482","9.1565","0.0003","14.1329","0.0005","12.2218","0.0004","90","","106.165","0.002","90","","1519.07","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl O5 -","- C17 H17 Cl O5 -","- C68 H68 Cl4 O20 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","0.71073","MoKα","","0.0511","0.0367","","","0.0972","0.1043","","","","","","1.046","","","","has coordinates","253107","2020-10-21","18:00:00",""
"4038483","10.783","0.0002","9.095","0.0002","22.4992","0.0004","90","","96.644","0.001","90","","2191.71","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl3 N O3 -","- C26 H18 Cl3 N O3 -","- C104 H72 Cl12 N4 O12 -","4","1","","Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.","One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00825","","x-ray","1.54178","CuKα","","0.0386","0.0359","","","0.0923","0.0946","","","","","","1.053","","","","has coordinates","253108","2020-10-21","18:00:00",""
"4038484","8.6843","0.0006","8.6843","0.0006","32.226","0.003","90","","90","","120","","2104.8","0.3","200","2","199.99","","","","","","","","","3","P 61","P 61","169","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0764","0.0507","","","0.0984","0.1073","","","","","","1.087","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038485","7.5228","0.0008","8.6162","0.0009","12.1657","0.0012","73.415","0.004","83.009","0.004","72.76","0.004","721.2","0.13","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O3 -","- C17 H17 F O3 -","- C34 H34 F2 O6 -","2","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0622","0.0451","","","0.0969","0.1055","","","","","","1.076","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038486","9.2435","0.0012","11.0703","0.0013","15.3163","0.0017","90","","102.368","0.004","90","","1530.9","0.3","180","2","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C68 H68 Br4 O12 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0615","0.0379","","","0.0676","0.074","","","","","","1.031","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038487","8.8967","0.0009","11.4613","0.001","30.389","0.003","90","","90","","90","","3098.7","0.5","190","2","190","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.114","0.0525","","","0.1232","0.1581","","","","","","0.912","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038488","12.6268","0.0011","13.5454","0.0014","12.6269","0.0011","90","","99.11","","90","","2132.4","0.3","200","2","199.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N O4 S -","- C24 H26 N O4 S -","- C96 H104 N4 O16 S4 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0911","0.0532","","","0.1261","0.1473","","","","","","1.034","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038489","10.274","0.004","10.309","0.003","14.243","0.005","90","","94.557","0.012","90","","1503.8","0.9","298","2","298.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0862","0.0547","","","0.139","0.1634","","","","","","1.024","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038490","27.088","0.004","8.3022","0.0011","11.4695","0.0016","90","","96.808","0.002","90","","2561.2","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br N O4 S -","- C29 H28 Br N O4 S -","- C116 H112 Br4 N4 O16 S4 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0589","0.0498","","","0.1193","0.1258","","","","","","1.002","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038491","12.6219","0.0011","16.3765","0.0013","16.6547","0.0014","90","","100.607","0.004","90","","3383.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N2 O6 -","- C38 H32 N2 O6 -","- C152 H128 N8 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","1.54178","CuKα","","0.114","0.0825","","","0.1806","0.2071","","","","","","1.132","","","","has coordinates,has disorder","253110","2020-10-21","18:00:00",""
"4038492","12.8844","0.0013","13.9073","0.0013","20.6328","0.0019","98.862","0.007","106.525","0.007","94.899","0.007","3469.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","1","0.5","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1869","0.138","","","0.384","0.42","","","","","","1.446","","","","has coordinates","253111","2020-10-21","18:00:00",""
"4038493","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","253112","2020-10-21","18:00:00",""
"4038494","12.8709","0.0004","15.6947","0.0004","16.5272","0.0005","90","","92.507","0.002","90","","3335.38","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O6 -","- C36 H30 N4 O6 -","- C144 H120 N16 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","1.54178","CuKα","","0.1505","0.0713","","","0.1979","0.2596","","","","","","0.997","","","","has coordinates","253113","2020-10-21","18:00:00",""
"4038495","13.4848","0.0008","13.8175","0.0009","14.4535","0.001","74.959","0.006","88.351","0.005","65.812","0.006","2363.3","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","2","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.092","0.0595","","","0.121","0.1445","","","","","","1.065","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038496","13.7565","0.0007","10.3255","0.0006","16.8608","0.0007","90","","100.716","0.004","90","","2353.2","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H78 O8 -","- C54 H78 O8 -","- C108 H156 O16 -","2","1","","Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.","The Journal of organic chemistry","2020","85","13","8501","8509","10.1021/acs.joc.0c00867","","","1.54184","CuKα","","0.0869","0.0563","","","0.1199","0.1397","","","","","","1.04","","","","has coordinates","253732","2020-10-21","18:00:00",""
"4038497","8.5683","0.001","10.3368","0.0012","11.1001","0.0013","78.658","0.002","75.05","0.002","77.369","0.002","916.54","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O6 -","- C17 H18 N4 O6 -","- C34 H36 N8 O12 -","2","1","","Brahmachari, Goutam; Nayek, Nayana; Karmakar, Indrajit; Nurjamal, Khondekar; Chandra, Swapan K.; Bhowmick, Anindita","A Series of Functionalized 5-(2-Arylimidazo[1,2-a]pyridin-3-yl)pyrimidine-2,4(1H,3H)-diones: A Water-Mediated Three-Component Catalyst-Free Protocol Revisited.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00732","","","0.71073","MoKα","","0.0967","0.0633","","","0.1627","0.2035","","","","","","1.004","","","","has coordinates","253183","2020-10-21","18:00:00",""
"4038498","16.5939","0.0006","13.739","0.0006","10.851","0.0004","90","","99.769","0.003","90","","2437.98","0.17","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 F6 N2 O -","- C29 H18 F6 N2 O -","- C116 H72 F24 N8 O4 -","4","1","","Zhu, Lifan; Guo, Hongyu; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Copper-Catalyzed One-Pot Synthesis of 1,3-Enynes from 2-Chloro-<i>N</i>-(quinolin-8-yl)acetamides and Terminal Alkynes.","The Journal of organic chemistry","2020","85","13","8740","8748","10.1021/acs.joc.0c01102","","","0.71073","MoKα","","0.1223","0.0667","","","0.1783","0.217","","","","","","1.059","","","","has coordinates","253738","2020-10-21","18:00:00",""
"4038499","11.0046","0.0004","11.4721","0.0004","15.6538","0.0004","90","","90","","90","","1976.23","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O4 S -","- C22 H19 Br O4 S -","- C88 H76 Br4 O16 S4 -","4","1","","Formánek, Bedřich; Tauchman, Jiří; Císařová, Ivana; Veselý, Jan","Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction.","The Journal of organic chemistry","2020","85","13","8510","8521","10.1021/acs.joc.0c00882","","","0.71073","MoKα","","0.0197","0.0182","","","0.0439","0.0445","","","","","","1.084","","","","has coordinates","253739","2020-10-21","18:00:00",""
"4038500","15.3318","0.0008","5.8627","0.0003","11.9302","0.0007","90","","104.921","0.006","90","","1036.2","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","","Tong, Zhou; Tang, Zhi; Au, Chak-Tong; Qiu, Renhua","Nickel-Catalyzed Decarbonyloxidation of 3-Aryl Benzofuran-2(<i>3H</i>)-ones to 2-Hydroxybenzophenones.","The Journal of organic chemistry","2020","85","13","8533","8543","10.1021/acs.joc.0c00858","","x-ray","0.71073","MoKα","","0.0407","0.0343","","","0.0824","0.0871","","","","","","1.067","","","","has coordinates","253737","2020-10-21","18:00:00",""
"4038501","7.022","0.0011","11.2016","0.0017","15.789","0.002","90","","99.001","0.014","90","","1226.6","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C1.714 H1.486 N0.343 -","- C1.71429 H1.48571 N0.342857 -","- C60 H52 N12 -","35","8.75","","Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.","The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00951","","x-ray","1.54184","CuKα","","0.1379","0.0821","","","0.1705","0.1987","","","","","","1.1139","","","","has coordinates","253256","2020-10-21","18:00:00",""
"4038502","23.9762","0.0003","11.8933","0.0002","22.7987","0.0003","90","","93.283","0.001","90","","6490.52","0.16","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N3 -","- C22 H13 N3 -","- C352 H208 N48 -","16","4","","Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.","The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00951","","x-ray","1.54184","CuKα","","0.0569","0.0536","","","0.1351","0.137","","","","","","1.145","","","","has coordinates","253256","2020-10-21","18:00:00",""
"4038504","8.2539","0.0005","9.845","0.0006","10.1665","0.0006","85.666","0.005","76.94","0.005","82.44","0.005","796.86","0.09","108.45","0.1","108.45","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C34 H36 N4 S4 -","2","1","","Qi, Peng; Sun, Fang; Chen, Ning; Du, Hongguang","Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.","The Journal of organic chemistry","2020","85","13","8588","8596","10.1021/acs.joc.0c00953","","x-ray","0.71073","MoKα","","0.0379","0.0333","","","0.0792","0.0824","","","","","","1.034","","","","has coordinates","253745","2020-10-21","18:00:00",""
"4038505","8.4889","0.0005","23.1788","0.0013","10.7372","0.0006","90","","108.396","0.007","90","","2004.7","0.2","237","190","237","190","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","x-ray","0.71073","MoKα","","0.0873","0.0534","","","0.1224","0.1419","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038506","8.8161","0.0004","9.5583","0.0005","9.7852","0.0004","70.157","0.002","73.487","0.002","68.453","0.002","709.31","0.06","298","2","298.51","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.","The Journal of organic chemistry","2020","85","13","8618","8626","10.1021/acs.joc.0c01010","","","0.71073","MoKα","","0.0443","0.0406","","","0.111","0.114","","","","","","1.04","","","","has coordinates","253733","2020-10-21","18:00:00",""
"4038507","8.6117","0.0006","13.1472","0.0007","16.255","0.0013","90","","95.684","0.007","90","","1831.3","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C72 H68 F12 N8 O20 -","4","1","","Fang, Zheng; Yin, Hongshan; Lin, Lu; Wen, Shunli; Xie, Lili; Huang, Yangjie; Weng, Zhiqiang","Collaborative Activation of Trifluoroacetyl Diazoester by a Lewis Acid and Base for the Synthesis of Polysubstituted 4-Trifluoromethylpyrazoles.","The Journal of organic chemistry","2020","85","13","8714","8722","10.1021/acs.joc.0c00737","","x-ray","1.54184","CuKα","","0.0761","0.0509","","","0.1277","0.1461","","","","","","1.078","","","","has coordinates,has disorder","253734","2020-10-21","18:00:00",""
"4038508","7.2414","0.0008","8.1329","0.0008","18.752","0.003","90","","90","","90","","1104.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0306","0.0279","","","0.0673","0.0692","","","","","","1.047","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038509","8.5612","0.0003","7.1443","0.0002","11.337","0.0003","90","","101.245","0.001","90","","680.1","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Cl2 N O -","- C13 H17 Cl2 N O -","- C26 H34 Cl4 N2 O2 -","2","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0285","0.0279","","","0.0709","0.0714","","","","","","1.049","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038510","18.1713","0.0007","13.699","0.0005","8.3562","0.0003","90","","97.785","0.002","90","","2060.93","0.13","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 B F7 N3 -","- C21 H17 B F7 N3 -","- C84 H68 B4 F28 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0936","0.0652","","","0.1718","0.2038","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038511","9.656","0.002","14.574","0.004","17.635","0.004","90","","90","","90","","2481.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 B Br2 F2 N3 -","- C24 H26 B Br2 F2 N3 -","- C96 H104 B4 Br8 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0805","0.0458","","","0.1017","0.1172","","","","","","1.027","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038512","12.489","0.003","11.29","0.002","18.975","0.004","90","","104.119","0.003","90","","2594.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B Br3 F2 N3 -","- C24 H25 B Br3 F2 N3 -","- C96 H100 B4 Br12 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.1231","0.0703","","","0.1628","0.1877","","","","","","1.039","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038513","10.9684","0.0018","17.472","0.003","18.559","0.003","114.162","0.002","102.168","0.002","93.667","0.002","3126.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H68 B3 F6 N9 -","- C66 H68 B3 F6 N9 -","- C132 H136 B6 F12 N18 -","2","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.2102","0.0795","","","0.2757","0.3127","","","","","","1.298","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038514","8.7637","0.0003","17.0551","0.0007","20.6021","0.0009","90","","90","","90","","3079.3","0.2","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 B Br2 Cl F2 N3 -","- C30 H29 B Br2 Cl F2 N3 -","- C120 H116 B4 Br8 Cl4 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0815","0.0574","","","0.1435","0.1622","","","","","","1.051","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038515","16.8071","0.0011","19.0449","0.0014","16.4613","0.0011","90","","98.752","0.002","90","","5207.7","0.6","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B F2 N3 -","- C30 H30 B F2 N3 -","- C240 H240 B8 F16 N24 -","8","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0886","0.0735","","","0.18","0.2009","","","","","","1.037","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038516","9.7883","0.0009","26.2735","0.0014","10.597","0.0008","90","","112.636","0.009","90","","2515.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl N O4 -","- C31 H24 Cl N O4 -","- C124 H96 Cl4 N4 O16 -","4","1","","Zimnitskiy, Nikolay S.; Denikaev, Andrey D.; Barkov, Alexey Y.; Kutyashev, Igor B.; Korotaev, Vladislav Y.; Sosnovskikh, Vyacheslav Y.","Catalyst-free Tandem 1,3-Dipolar Cycloaddition/Aldol Condensation: Diastereoselective Construction of the Azatetraquinane Skeleton.","The Journal of organic chemistry","2020","85","13","8683","8694","10.1021/acs.joc.0c01127","","","0.71073","MoKα","","0.1451","0.0797","","","0.2158","0.2839","","","","","","1.044","","","","has coordinates,has disorder","253742","2020-10-21","18:00:00",""
"4038517","8.8912","0.0005","11.9339","0.0006","12.6741","0.0007","85.22","0.002","74.19","0.002","80.966","0.002","1276.72","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N2 O2 Si -","- C27 H38 N2 O2 Si -","- C54 H76 N4 O4 Si2 -","2","1","","Pati, Tanmay K.; Ajarul, Sk; Kundu, Mrinalkanti; Tayde, Deepak; Khamrai, Uttam; Maiti, Dilip K.","Synthesis of Functionalized Arylacetamido-2-pyridones through <i>ortho</i>-C(sp<sup>2</sup>)-H-Activated Installation of Olefins and Alkynes.","The Journal of organic chemistry","2020","85","13","8563","8579","10.1021/acs.joc.0c00941","","","1.54178","CuKα","","0.0511","0.0489","","","0.1231","0.1249","","","","","","1.054","","","","has coordinates","253740","2020-10-21","18:00:00",""
"4038518","8.2882","0.0013","11.6286","0.0017","19.897","0.003","90","","100.909","0.004","90","","1883","0.5","113","2","113","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Nishida, Masaki; Lee, Donghyeon; Shintani, Ryo","Intermolecular Three-Component Synthesis of Fluorene Derivatives by a Rhodium-Catalyzed Stitching Reaction/Remote Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2020","85","13","8489","8500","10.1021/acs.joc.0c00790","","","0.71075","MoKα","","0.076","0.0471","","","0.1228","0.1487","","","","","","0.851","","","","has coordinates","253741","2020-10-21","18:00:00",""
"4038519","21.532","0.002","8.0393","0.0007","29.212","0.003","90","","99.5823","0.0015","90","","4986.1","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Cl N2 O2 -","- C31 H27 Cl N2 O2 -","- C248 H216 Cl8 N16 O16 -","8","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","0.71073","MoKα","","0.0965","0.0524","","","0.1013","0.1185","","","","","","1.014","","","","has coordinates","253743","2020-10-21","18:00:00",""
"4038520","15.5188","0.001","21.4989","0.0013","7.5658","0.0005","90","","90","","90","","2524.2","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","1.54178","CuKα","","0.1195","0.0583","","","0.1227","0.1477","","","","","","0.991","","","","has coordinates,has disorder","253743","2020-10-21","18:00:00",""
"4038521","13.718","0.0018","8.7102","0.0009","25.568","0.003","90","","95.537","0.011","90","","3040.8","0.6","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","1","","Wang, Yu-Jiao; Wang, Tong-Tong; Yao, Lan; Wang, Qian-Long; Zhao, Li-Ming","Access to 4-Alkenylated Coumarins via Ruthenium-Catalyzed Olefinic C-H Alkenylation of Coumarins with Modifiable and Removable Directing Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00249","","x-ray","0.71073","MoKα","","0.1072","0.0606","","","0.1252","0.1532","","","","","","1.013","","","","has coordinates","253425","2020-10-21","18:00:00",""
"4038523","23.264","0.005","18.39","0.004","17.423","0.004","90","","127.66","0.03","90","","5901","3","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","ro24_sq","","","- C52 H56 N16 O8 -","- C52 H56 N16 O8 -","- C208 H224 N64 O32 -","4","1","","Mohite, Amar Ramchandra; Reany, Ofer","Inherently Chiral Bambus[4]urils.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01174","","","0.71073","MoKα","","0.1077","0.0854","","","0.231","0.2551","","","","","","1.053","","","","has coordinates,has disorder","253452","2020-10-21","18:00:00",""
"4038524","5.41","0.0011","12.802","0.003","22.803","0.005","90","","90","","90","","1579.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Xiong, Cheng; Cheng, Kunpeng; Wang, Jiahua; Yang, Fulai; Lu, Jinrong; Zhou, Qingfa","Iodine-Catalyzed Aerobic Oxidation of Spirovinylcyclopropyl Oxindoles to Form Spiro-1,2-dioxolanes Diastereoselectively.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00652","","","0.71073","MoKα","","0.3239","0.0885","","","0.1791","0.267","","","","","","1.012","","","","has coordinates","253453","2020-10-21","18:00:00",""
"4038525","8.694","0.0006","20.9333","0.0014","9.0103","0.0008","90","","106.693","0.008","90","","1570.7","0.2","100","3","100","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I3 O3 -","- C13 H9 I3 O3 -","- C52 H36 I12 O12 -","4","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","","1.54184","CuKα","","0.045","0.0408","","","0.1165","0.1196","","","","","","1.093","","","","has coordinates","253454","2020-10-21","18:00:00",""
"4038526","8.2618","0.0003","43.8957","0.0017","4.20886","0.00017","90","","90","","90","","1526.37","0.1","100","3","100","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 I N O3 -","- C16 H16 I N O3 -","- C64 H64 I4 N4 O12 -","4","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","x-ray","1.54184","CuKα","","0.0718","0.066","","","0.1788","0.1819","","","","","","1.138","","","","has coordinates","253455","2020-10-21","18:00:00",""
"4038527","7.2353","0.0003","9.1711","0.0003","12.0759","0.0003","97.581","0.002","106.756","0.003","103.036","0.003","730.66","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 I N3 O2 -","- C14 H14 I N3 O2 -","- C28 H28 I2 N6 O4 -","2","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","","0.71073","MoKα","","0.0192","0.0175","","","0.0402","0.041","","","","","","1.058","","","","has coordinates","253456","2020-10-21","18:00:00",""
"4038528","13.17979","0.00014","13.5664","0.00015","13.59048","0.00012","105.804","0.0009","105.681","0.0009","105.509","0.001","2093.08","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Co2 O9 -","- C22 H10 Co2 O9 -","- C88 H40 Co8 O36 -","4","2","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","x-ray","1.54184","CuKα","","0.0428","0.0382","","","0.1058","0.1082","","","","","","1.088","","","","has coordinates","253457","2020-10-21","18:00:00",""
"4038529","11.7637","0.0007","14.5153","0.0008","7.3338","0.0004","90","","101.923","0.005","90","","1225.26","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-methyl-3-oxo-N-(prop-2-yn-1-yl)-2,3-dihydrobenzofuran-2-carboxamide","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C52 H52 N4 O20 -","4","1","","Brahmachari, Goutam; Karmakar, Indrajit","Visible Light-Induced and Singlet Oxygen-Mediated Photochemical Conversion of 4-Hydroxy-alpha-benzopyrones to 2-Hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxamides/carboxylates Using Rose Bengal as a Photosensitizer.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00726","","","0.71073","MoKα","","0.0662","0.0487","","","0.1143","0.133","","","","","","1.071","","","","has coordinates","253494","2020-10-21","18:00:00",""
"4038530","6.11355","0.00016","22.066","0.0007","10.8459","0.0003","90","","94.66","0.002","90","","1458.29","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","1","","Raclea, Robert-Cristian; Natho, Philipp; Allen, Lewis A. T.; White, Andrew J. P.; Parsons, Philip J.","Oxidative Deconstruction of Azetidinols to α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00986","","","1.54184","CuKα","","0.059","0.0404","","","0.0986","0.1152","","","","","","1.053","","","","has coordinates","253495","2020-10-21","18:00:00",""
"4038531","12.1028","0.0003","10.899","0.0003","18.1775","0.0005","90","","101.941","0.003","90","","2345.88","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O6 S -","- C27 H24 O6 S -","- C108 H96 O24 S4 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","x-ray","0.71073","MoKα","","0.0495","0.0395","","","0.0911","0.0994","","","","","","1.05","","","","has coordinates","253496","2020-10-21","18:00:00",""
"4038532","10.8696","0.0003","7.3461","0.0002","20.8568","0.0005","90","","101.555","0.002","90","","1631.65","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","","0.71073","MoKα","","0.0412","0.0383","","","0.0936","0.0952","","","","","","1.085","","","","has coordinates","253497","2020-10-21","18:00:00",""
"4038533","18.974","0.003","7.2666","0.0011","31.532","0.005","90","","92.709","0.002","90","","4342.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 N2 O12 S2 -","- C48 H41 N2 O12 S2 -","- C192 H164 N8 O48 S8 -","4","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","","0.71075","MoKα","","0.06","0.0519","","","0.1418","0.1484","","","","","","1.064","","","","has coordinates","253498","2020-10-21","18:00:00",""
"4038534","20.3582","0.0008","11.1376","0.0003","28.4519","0.001","90","","110.673","0.004","90","","6035.8","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C208 H256 N16 O64 S8 -","8","1","","Mane, Vaijinath; Sivanandan, Sudheesh T.; Santana, Rafael G.; Beatriz, Adilson; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of Densely Substituted Sulfonylfurans and Dihydrofurans via Cascade Reactions of α-Functionalized Nitroalkenes with β-Ketosulfones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00606","","x-ray","0.71073","MoKα","","0.0653","0.0517","","","0.1402","0.1534","","","","","","1.042","","","","has coordinates","253499","2020-10-21","18:00:00",""
"4038535","13.6314","0.0004","19.2653","0.0005","14.8884","0.0004","90","","90","","90","","3909.89","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 F3 I O3 S -","- C20 H14 F3 I O3 S -","- C160 H112 F24 I8 O24 S8 -","8","2","","Caspers, Lucien; Spils, Julian; Damrath, Mattis; Lork, Enno; Nachtsheim, Boris Johannes","One-Pot Synthesis and Conformational Analysis of 6-Membered Cyclic Iodonium Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01125","","x-ray","0.71073","MoKα","","0.0372","0.0266","","","0.0497","0.053","","","","","","1.029","","","","has coordinates","253578","2020-10-21","18:00:00",""
"4038536","9.5914","0.0019","16.819","0.003","9.964","0.0019","90","","112.258","0.003","90","","1487.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","1","","Xiong, Wei; Zhang, Shengjun; Li, Huijun; Zhang, Zhifeng; Xu, Tongyu","Pd-Catalyzed Decarboxylative Cycloaddition of Vinylethylene Carbonates with Isothiocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00243","","","0.71073","MoKα","","0.0488","0.0364","","","0.0898","0.0973","","","","","","1.034","","","","has coordinates","253579","2020-10-21","18:00:00",""
"4038537","10.79064","0.00008","25.34034","0.00017","7.96505","0.00007","90","","111.012","0.0009","90","","2033.13","0.03","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C96 H108 Br4 O16 -","4","1","","Annand, James R.; Riehl, Paul S.; Schultz, Danielle M.; Schindler, Corinna S.","High-Throughput Approach toward the Development of a Mizoroki-Heck Reaction To Access Tricyclic Spirolactones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00997","","","1.54184","CuKα","","0.0294","0.0292","","","0.0772","0.0774","","","","","","1.108","","","","has coordinates","253580","2020-10-21","18:00:00",""
"4038538","12.3346","0.0004","13.865","0.0005","12.6601","0.0004","90","","102.552","0.003","90","","2113.37","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Se -","- C26 H18 N4 Se -","- C104 H72 N16 Se4 -","4","1","","Zhu, Yu-Shen; Xue, Yuting; Liu, Wannian; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Temperature-Controlled Chalcogenation and Chalcogenocyanation of Imidazopyridines in Water under Transition Metal-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01035","","x-ray","1.54184","CuKα","","0.0564","0.0398","","","0.0896","0.1009","","","","","","1.027","","","","has coordinates","253581","2020-10-21","18:00:00",""
"4038539","11.8281","0.0003","11.8983","0.0003","19.0954","0.0005","72.31","0.002","72.182","0.002","61.141","0.002","2201.08","0.11","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H24 F3 N2 O5 P -","- C17 H24 F3 N2 O4.992 P -","- C68 H96 F12 N8 O19.968 P4 -","4","4","","Fernández-Pérez, Héctor; Lenartowicz, Paweł; Carreras Vinent, Lucas; Grabulosa, Arnald; Kafarski, Paweł; Vidal-Ferran, Anton","Access to alpha-aminophosphonic acid derivatives and phosphonopeptides by [Rh(P-OP)]-catalyzed stereoselective hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00914","","","0.71075","MoKα","","0.0733","0.0466","","","0.1216","0.1366","","","","","","1.014","","","","has coordinates,has disorder","253582","2020-10-21","18:00:00",""
"4038542","11.126","0.002","11.093","0.002","18.301","0.004","90","","102.45","0.03","90","","2205.6","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl O3 -","- C13 H7 Cl O3 -","- C104 H56 Cl8 O24 -","8","2","","Zhao, Guihua; Li, Biqing; Wang, Shuangshuang; Liu, Man; Chen, Yuan; Wang, Bin","PIFA-mediated dearomatizative spirocyclization of phenolic biarylic ketones via oxidation and C-C bond cleavage.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00971","","","0.71073","MoKα","","0.0542","0.0445","","","0.1173","0.1257","","","","","","1.048","","","","has coordinates","253672","2020-10-21","18:00:00",""
"4038543","10.8954","0.0004","13.6167","0.0005","12.5125","0.0005","90","","99.513","0.004","90","","1830.82","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Zhao, Sheng; Zang, Zhong-Lin; Li, Siyu; Wen, Xumei; Wang, Chenhui; Guo, Jian; He, Yun","Iridium-Catalyzed Cycloisomerization of N-Tethered 1,7-Enynes: Construction of Azabicyclo [5.1.0] octene System.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00516","","","0.71073","MoKα","","0.0649","0.0467","","","0.1113","0.1246","","","","","","1.036","","","","has coordinates","253673","2020-10-21","18:00:00",""
"4038544","21.9715","0.0015","6.3739","0.0004","12.0779","0.0007","90","","92.562","0.006","90","","1689.75","0.18","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 I O3 Si -","- C14 H23 I O3 Si -","- C56 H92 I4 O12 Si4 -","4","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","0.71073","MoKα","","0.0402","0.0356","","","0.0865","0.0883","","","","","","1.077","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038545","11.2611","0.0006","6.3708","0.0002","12.0672","0.0004","90","","105.942","0.005","90","","832.43","0.06","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0824","0.0575","","","0.126","0.1414","","","","","","1.03","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038546","19.7853","0.0003","22.1644","0.0004","10.4","0.0002","90","","90","","90","","4560.7","0.14","93","2","93","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H35 O5 -","- C23 H35 O5 -","- C184 H280 O40 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0414","0.0365","","","0.0935","0.0966","","","","","","1.032","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038547","17.2644","0.0004","11.1326","0.0003","23.6238","0.0005","90","","110.142","0.002","90","","4262.76","0.18","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 I O4 -","- C21 H31 I O4 -","- C168 H248 I8 O32 -","8","2","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0514","0.0381","","","0.0832","0.0892","","","","","","1.057","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038548","64.915","0.003","22.4355","0.0012","16.2049","0.0008","90","","90","","90","","23601","2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C21 H27 Cl O4 -","- C21 H27 Cl O4 -","- C1008 H1296 Cl48 O192 -","48","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0952","0.0641","","","0.1602","0.1814","","","","","","1.041","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038549","24.9006","0.0017","6.3095","0.0004","28.91","0.002","90","","110.855","0.002","90","","4244.5","0.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I O3 -","- C13 H19 I O3 -","- C156 H228 I12 O36 -","12","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54178","CuKα","","0.0519","0.0474","","","0.122","0.1262","","","","","","1.019","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038550","9.111","0.00015","10.58534","0.00014","48.0239","0.0007","90","","90","","90","","4631.57","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C208 H176 N32 O32 -","8","2","","Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Zou, Ying; Li, Xia; Huang, Zhi-Cheng; Tian, Fang; Wang, Li-Xin","Organocatalytic Enantioselective Michael Addition between 3-(3-hydroxy-1H-pyrazol-1-yl)Oxindole and β-Nitrostyrene for the Preparation of Chiral Di-substituted Oxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03337","","x-ray","1.54184","CuKα","","0.0467","0.0403","","","0.1085","0.1166","","","","","","1.026","","","","has coordinates","254033","2020-10-21","18:00:00",""
"4038551","8.1128","0.0009","9.3254","0.0011","17.1572","0.0018","90","","100.4","0.011","90","","1276.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dhiman, Ankit Kumar; Thakur, Ankita; Kumar, Inder; Kumar, Rakesh; Sharma, Upendra","Co(III)-Catalyzed C-H Amidation of Nitrogen Containing Heterocycles with Dioxazolones under Mild Condition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01237","","x-ray","1.54184","CuKα","","0.055","0.0447","","","0.1176","0.1289","","","","","","1.041","","","","has coordinates","254034","2020-10-21","18:00:00",""
"4038552","9.9751","0.0004","14.6491","0.0005","14.8894","0.0005","90","","93.64","0.002","90","","2171.34","0.14","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C100 H76 O8 P4 -","4","1","","Xie, Pei; Yang, Shoushan; Guo, Yuyu; Cai, Zhihua; Dai, Bin; He, Lin","Multicomponent reaction of phosphines, benzynes and CO2: facile synthesis of stable zwitterionic phosphonium inner-salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00745","","","0.71073","MoKα","","0.0791","0.0483","","","0.1025","0.1186","","","","","","1.057","","","","has coordinates","254035","2020-10-21","18:00:00",""
"4038553","10.8933","0.0005","11.5767","0.0005","11.8325","0.0006","76.19","0.004","70.082","0.004","67.095","0.004","1282.56","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","2","","Zhou, Yan; Liang, Hong; Sheng, Yaoguang; Wang, Shaoli; Gao, Yi; Zhan, Lingling; Zheng, Zhilong; Yang, Mengjie; Liang, Guang; Zhou, Jianmin; Deng, Jun; Song, Zengqiang","Ruthenium(II)-catalyzed C-H activation of chromones with maleimides to synthesize succinimide/ maleimide-containing chromones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01223","","","0.71073","MoKα","","0.0894","0.0583","","","0.1274","0.1505","","","","","","1.07","","","","has coordinates","254036","2020-10-21","18:00:00",""
"4038554","9.4336","0.0013","19.646","0.003","10.9945","0.0014","90","","106.121","0.005","90","","1957.5","0.5","152","2","152","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Chakraborty, Baitan; Kar, Abhishek; Chanda, Rupsa; Jana, Umasish","Application of Povarov Reaction in Biaryls under Iron Catalysis for the General Synthesis of Dibenzo[a, c]acridines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01300","","","0.71073","MoKα","","0.1199","0.087","","","0.1877","0.2171","","","","","","1.065","","","","has coordinates","254037","2020-10-21","18:00:00",""
"4038555","9.8128","0.0004","16.744","0.0008","20.0298","0.0011","86.159","0.004","89.162","0.004","85.312","0.004","3272.5","0.3","153","0.1","153","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 N20 O22 -","- C54 H80 N20 O22 -","- C108 H160 N40 O44 -","2","1","","Oshchepkov, Aleksandr S.; Namashivaya, Siva S. R.; Khrustalev, Victor N.; Hampel, Frank; Laikov, Dimitri N.; Kataev, Evgeny A.","Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01260","","x-ray","1.54184","CuKα","","0.092","0.0731","","","0.1953","0.2126","","","","","","1.043","","","","has coordinates,has disorder","254088","2020-10-21","18:00:00",""
"4038556","25.2762","0.0008","9.5637","0.0001","24.9579","0.0008","90","","125.694","0.005","90","","4899.8","0.4","153","0.1","153","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 N14 -","- C54 H66 N14 -","- C216 H264 N56 -","4","0.5","","Oshchepkov, Aleksandr S.; Namashivaya, Siva S. R.; Khrustalev, Victor N.; Hampel, Frank; Laikov, Dimitri N.; Kataev, Evgeny A.","Control of Photoisomerization of an Azoazacryptand by Anion Binding and Cucurbit[8]uril Encapsulation in an Aqueous Solution.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01260","","x-ray","1.54184","CuKα","","0.055","0.0504","","","0.1317","0.137","","","","","","1.038","","","","has coordinates,has disorder","254089","2020-10-21","18:00:00",""
"4038557","11.7704","0.0004","15.69","0.0005","18.6268","0.0006","90","","105.599","0.001","90","","3313.25","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H16 Cl F3 N O4 P -","- C14 H16 Cl F3 N O4 P -","- C112 H128 Cl8 F24 N8 O32 P8 -","8","1","","Mitrofanov, Alexander; Bychkova, Valentina A.; Nefedov, Sergey E.; Beletskaya, Irina P.","Selective Metal-Controlled Synthesis of Trifluoromethylated (Indolin-2-ylidene)methyl- and Quinolin-3-ylphosphonates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00913","","","0.71073","MoKα","","0.0895","0.0714","","","0.1991","0.2109","","","","","","1.072","","","","has coordinates,has disorder","254090","2020-10-21","18:00:00",""
"4038558","8.3698","0.0018","10.5488","0.0019","10.695","0.002","66.788","0.005","75.559","0.006","76.436","0.005","830.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C36 H32 N4 O4 S2 -","2","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.1898","0.0739","","","0.1554","0.2094","","","","","","0.962","","","","has coordinates","254124","2020-10-21","18:00:00",""
"4038559","7.6361","0.0015","8.1452","0.0015","14.722","0.003","95.298","0.006","90.26","0.007","113.046","0.006","838.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C38 H36 N4 O4 S2 -","2","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.0565","0.0449","","","0.1537","0.1657","","","","","","1.267","","","","has coordinates,has disorder","254125","2020-10-21","18:00:00",""
"4038560","36.176","0.005","5.6425","0.0008","15.396","0.002","90","","104.478","0.006","90","","3042.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N3 O2 S -","- C17 H15 N3 O2 S -","- C136 H120 N24 O16 S8 -","8","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.1546","0.0652","","","0.1481","0.1902","","","","","","0.96","","","","has coordinates","254126","2020-10-21","18:00:00",""
"4038561","8.285","0.003","14.446","0.005","12.198","0.004","90","","90","","90","","1459.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 S -","- C17 H13 N3 S -","- C68 H52 N12 S4 -","4","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.0402","0.0337","","","0.1047","0.1103","","","","","","0.872","","","","has coordinates","254127","2020-10-21","18:00:00",""
"4038562","9.1471","0.0006","10.2389","0.0012","10.4577","0.0009","60.722","0.01","78.914","0.006","71.326","0.008","808.58","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C38 H30 N10 O4 -","2","1","","Wang, Yingchun; Opsomer, Tomas; Van Meervelt, Luc; Dehaen, Wim","Ring-Degenerate Rearrangement Resulting from the Azo Coupling Reaction of a 3-Aryl-1,3a,6a-triazapentalene.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01153","","x-ray","0.71073","MoKα","","0.1115","0.069","","","0.1747","0.2037","","","","","","1.066","","","","has coordinates","254128","2020-10-21","18:00:00",""
"4038563","10.495","0.0006","14.6071","0.0006","17.6793","0.0006","71.132","0.003","83.894","0.004","76.917","0.004","2496.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C114 H90 N30 O12 -","6","3","","Wang, Yingchun; Opsomer, Tomas; Van Meervelt, Luc; Dehaen, Wim","Ring-Degenerate Rearrangement Resulting from the Azo Coupling Reaction of a 3-Aryl-1,3a,6a-triazapentalene.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01153","","x-ray","0.71073","MoKα","","0.1364","0.0792","","","0.2122","0.2607","","","","","","1.023","","","","has coordinates","254129","2020-10-21","18:00:00",""
"4038564","14.6337","0.001","8.212","0.0006","19.9944","0.0014","90","","95.296","0.001","90","","2392.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 S2 -","- C25 H23 N3 O5 S2 -","- C100 H92 N12 O20 S8 -","4","1","","Kumar, Chepuri V Suneel; Holyoke, Jr, Caleb W; Keller, Taylor M.; Fleming, Fraser F.","Asmic Isocyanide [3 + 2] Cascade to Dihydrooxazoles and Dihydroimidazoles.","The Journal of organic chemistry","2020","85","14","9153","9160","10.1021/acs.joc.0c01119","","","0.71073","MoKα","","0.0315","0.0289","","","0.0728","0.0742","","","","","","1.067","","","","has coordinates","254779","2020-10-21","18:00:00",""
"4038565","10.7556","0.0002","7.9327","0.0002","17.5581","0.0004","90","","96.939","0.002","90","","1487.1","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N9 O4 S2 -","- C26 H35 N9 O4 S2 -","- C52 H70 N18 O8 S4 -","2","0.5","","Zhang, Yanhan; Yan, Xiaosheng; Cao, Jinlian; Weng, Peimin; Miao, Daiyu; Li, Zhao; Jiang, Yun-Bao","Turn Conformation of β-Amino Acid Based Short Peptides Promoted by an Amidothiourea Moiety at C-Terminus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01139","","","1.54184","CuKα","","0.0441","0.0409","","","0.1068","0.1087","","","","","","1.049","","","","has coordinates,has disorder","254152","2020-10-21","18:00:00",""
"4038566","6.9345","0.0017","11.057","0.003","11.166","0.002","111.127","0.01","92.434","0.01","96.953","0.011","789.3","0.3","107","2","107","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Xiaofei; Zhu, Peiyuan; Zhang, Ruihong; Li, Xiang; Yao, Tuanli","Visible-light-induced decarboxylative cyclization of 2-alkenylarylisocyanides with α-oxocarboxylic acids: direct access to 2-acylindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00039","","","0.71073","MoKα","","0.299","0.101","","","0.2206","0.305","","","","","","1.059","","","","has coordinates","254153","2020-10-21","18:00:00",""
"4038567","21.5878","0.0004","11.8658","0.0002","23.2836","0.0003","90","","90","","90","","5964.25","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H33 N3 O6 S -","- C34 H33 N3 O6 S -","- C272 H264 N24 O48 S8 -","8","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.0702","0.0581","","","0.1548","0.1651","","","","","","1.083","","","","has coordinates","254193","2020-10-21","18:00:00",""
"4038568","9.98869","0.00017","11.08896","0.00019","13.18431","0.00011","102.245","0.0011","101.385","0.0012","115.842","0.0017","1212.66","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O6 S -","- C27 H28 N2 O6 S -","- C54 H56 N4 O12 S2 -","2","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.039","0.0366","","","0.0969","0.0987","","","","","","1.086","","","","has coordinates","254194","2020-10-21","18:00:00",""
"4038569","8.7395","0.0006","8.783","0.0006","11.9719","0.0009","90","","95.873","0.007","90","","914.13","0.11","293","","293","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","9-desmethyl-6-aza(pBrbenzoylated)-artemisinin","","- C19 H20 Br N O6 -","- C19 H20 Br N O6 -","- C38 H40 Br2 N2 O12 -","2","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","","0.0316","","","","0.0695","","","","","","1.009","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038570","9.1976","0.0008","13.8881","0.0012","14.247","0.0013","70.634","0.005","87.276","0.006","86.347","0.006","1712.7","0.3","293","","293","","","","","","","","synthetic","5","P -1","-P 1","2","Vinylsilane Syn","Vinylsilane Intermediate","","- C33 H55 N O5 Si -","- C33 H55 N O5 Si -","- C66 H110 N2 O10 Si2 -","2","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","","0.0591","","","","0.1875","","","","","","1.028","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038571","10.1639","0.0007","6.2896","0.0004","22.0115","0.0018","90","","93.038","0.007","90","","1405.15","0.18","296","","296","","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","6-aza-ART","6-aza-artemisinin","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","2","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.71075","MoKα","","0.0875","0.0571","","","0.1349","0.1524","","","","","","1.035","","","","has coordinates","254246","2020-10-21","18:00:00",""
"4038572","8.848","0.004","13.727","0.005","11.346","0.005","90","0.002","111.621","0.002","90","0.002","1281.1","0.9","153.1","","153.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Bonepally, Karunakar Reddy; Takahashi, Norihito; Matsuoka, Naoya; Koi, Hikari; Mizoguchi, Haruki; Hiruma, Takahisa; Ochiai, Kyohei; Suzuki, Shun; Yamagishi, Yutaka; Oikawa, Hideaki; Ishiyama, Aki; Hokari, Rei; Iwatsuki, Masato; Otoguro, Kazuhiko; Omura, Satoshi; Kato, Nobutaka; Oguri, Hiroki","Rapid and Systematic Exploration of Chemical Space Relevant to Artemisinins: Anti-malarial Activities of Skeletally Diversified Tetracyclic Peroxides and 6-Aza-artemisinins.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01017","","","0.7107","MoKα","","","0.0484","","","","0.1367","","","","","","1.349","","","","has coordinates","254247","2020-10-21","18:00:00",""
"4038573","9.47937","0.00005","21.40602","0.00008","18.35435","0.00009","90","","93.8774","0.0003","90","","3715.86","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","2","","Wang, Qian; Tuinhof, Jesse; Mgimpatsang, Kumchok C.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Copper-Catalyzed Modular Assembly of Polyheterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01238","","x-ray","1.54184","CuKα","","0.0387","0.0362","","","0.0901","0.092","","","","","","1.039","","","","has coordinates","254248","2020-10-21","18:00:00",""
"4038574","9.2121","0.0001","38.932","0.0005","8.1281","0.0001","90","","114.645","0.002","90","","2649.57","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O2 -","- C32 H30 N4 O2 -","- C128 H120 N16 O8 -","4","1","","Faltracco, Matteo; Sukowski, Verena; van Druenen, Max; Hamlin, Trevor A.; Bickelhaupt, F. Matthias; Ruijter, Eelco","Diastereoselective Synthesis of β-Lactams by Ligand-Controlled Stereodivergent Intramolecular Tsuji-Trost Allylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00575","","x-ray","1.54184","CuKα","","0.0517","0.0446","","","0.1073","0.1137","","","","","","1.011","","","","has coordinates,has disorder","254249","2020-10-21","18:00:00",""
"4038575","8.9005","0.0003","15.1026","0.0004","17.357","0.0005","90","","90","","90","","2333.14","0.12","78","2","78","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C108 H108 O12 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.71073","MoKα","","0.0303","0.0286","","","0.0752","0.0768","","","","","","1.057","","","","has coordinates","254250","2020-10-21","18:00:00",""
"4038576","8.9034","0.0017","11.952","0.002","16.993","0.003","90","","90","","90","","1808.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 O7 P S -","- C14 H25 O7 P S -","- C56 H100 O28 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.4118","synchrotron","","0.0248","0.0247","","","0.0659","0.066","","","","","","1.04","","","","has coordinates","254251","2020-10-21","18:00:00",""
"4038577","11.29","0.0004","15.0614","0.0004","19.1778","0.0008","90","","93.217","0.003","90","","3255.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Co2 N O8 Si -","- C32 H29 Co2 N O8 Si -","- C128 H116 Co8 N4 O32 Si4 -","4","1","","Kang, Zhenghui; Shou, Jiayi; Xing, Dong; Hu, Wenhao","Rh(II)/Ag(I) co-catalyzed three-component reaction via SN1/SN1'-type trapping of oxonium ylide with Nicholas intermediate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01162","","x-ray","1.54184","CuKα","","0.0761","0.0587","","","0.1549","0.1676","","","","","","1.019","","","","has coordinates","254252","2020-10-21","18:00:00",""
"4038578","10.4936","0.0004","20.3829","0.0009","10.7259","0.0005","90","","90","","90","","2294.16","0.17","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F8 I2 O4 -","- C18 H12 F8 I2 O4 -","- C72 H48 F32 I8 O16 -","4","1","","Yasumoto, Kento; Kano, Taichi; Maruoka, Keiji","Synthesis of Electron-Deficient Chiral Biphenols and Their Applica-tions in Catalytic Asymmetric Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01116","","","1.54187","CuKα","","0.0508","0.0436","","","0.1137","0.1225","","","","","","0.83","","","","has coordinates","254253","2020-10-21","18:00:00",""
"4038579","18.894","0.008","12.886","0.006","11.479","0.005","90","","92.493","0.009","90","","2792","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N S2 -","- C16 H12 N S2 -","- C128 H96 N8 S16 -","8","1","","Li, Ling; Chen, Qian; Xu, Honghui; Zhang, Xiao-Hong; Zhang, Xing-Guo","DBU-Promoted Demethoxylative Thioannulation of Alkynyl Oxime Ethers with Sulfur for the Synthesis of Bisisothiazole-4-yl Disulfides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01334","","","0.71073","MoKα","","0.0664","0.0552","","","0.1967","0.2083","","","","","","1.081","","","","has coordinates","254322","2020-10-21","18:00:00",""
"4038580","11.9761","0.0003","9.3925","0.0002","25.5523","0.0006","90","","102.852","0.002","90","","2802.26","0.12","100","0.11","100","0.11","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 F4 N4 -","- C30 H36 F4 N4 -","- C120 H144 F16 N16 -","4","1","","Zhang, Rui; Zhang, Zhikun; Wang, Kang; Wang, Jianbo","Difluoroketenimine: Generation from Difluorocarbene and Isocyanide, and Its [3+2] Cycloadditions with Alkenes or Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01120","","x-ray","0.71073","MoKα","","0.0478","0.0453","","","0.115","0.116","","","","","","1.184","","","","has coordinates","254323","2020-10-21","18:00:00",""
"4038581","8.1747","0.0003","8.6211","0.0004","9.3514","0.0004","98.774","0.004","93.882","0.003","91.418","0.003","649.42","0.05","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 F N2 -","- C15 H15 F N2 -","- C30 H30 F2 N4 -","2","1","","Zhang, Rui; Zhang, Zhikun; Wang, Kang; Wang, Jianbo","Difluoroketenimine: Generation from Difluorocarbene and Isocyanide, and Its [3+2] Cycloadditions with Alkenes or Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01120","","x-ray","0.71073","MoKα","","0.0596","0.0484","","","0.1273","0.1344","","","","","","1.062","","","","has coordinates","254324","2020-10-21","18:00:00",""
"4038582","5.9126","0.0003","12.16","0.0006","20.6164","0.001","90","","90","","90","","1482.26","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0272","0.0269","","","0.0722","0.0724","","","","","","1.06","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038583","5.9884","0.0002","13.6655","0.0005","18.8441","0.0007","90","","90","","90","","1542.1","0.1","100","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0318","0.0301","","","0.076","0.0774","","","","","","1.054","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038584","11.0048","0.0002","11.0048","0.0002","17.676","0.0003","90","","90","","120","","1853.87","0.06","100","","100","","","","","","","","","4","P 32","P 32","145","","","","- C26 H45 O3 P -","- C26 H45 O3 P -","- C78 H135 O9 P3 -","3","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0269","0.0266","","","0.0693","0.0697","","","","","","1.049","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038585","6.3103","0.0003","12.1035","0.0007","19.3802","0.0011","90","","90","","90","","1480.2","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 O2 P -","- C14 H27 O2 P -","- C56 H108 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0872","0.0915","","","","","","1.037","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038586","12.164","0.006","17.59","0.008","38.736","0.019","90","","90","","90","","8288","7","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 O2 P -","- C28 H47 O2 P -","- C336 H564 O24 P12 -","12","3","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.1022","0.0614","","","0.1149","0.1322","","","","","","1.005","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038587","5.9712","0.0009","12.238","0.002","22.345","0.004","90","","90","","90","","1632.9","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 O2 P -","- C16 H29 O2 P -","- C64 H116 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.0409","0.0365","","","0.0865","0.089","","","","","","1.043","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038588","9.4768","0.0004","10.3802","0.0005","10.6661","0.0005","84.849","0.001","66.399","0.001","79.726","0.001","945.86","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Hwu, Jih Ru; Roy, Animesh; Panja, Avijit; Huang, Wen-Chieh; Hu, Yu-Chen; Tan, Kui-Thong; Lin, Chun-Cheng; Hwang, Kuo Chu; Hsu, Ming-Hua; Tsay, Shwu-Chen","Domino Reaction for the Synthesis of Polysubstituted Pyrroles and Lamellarin R.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01134","","","0.71073","MoKα","","0.053","0.0406","","","0.0983","0.1066","","","","","","1.042","","","","has coordinates,has disorder","254357","2020-10-21","18:00:00",""
"4038589","15.945","0.0003","8.13292","0.00013","27.6436","0.0005","90","","95.2369","0.0019","90","","3569.84","0.11","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C184 H152 N8 O32 -","8","2","","Kazim, Muhammad; Guan, Liangyu; Chopra, Anant; Sun, Roy; Siegler, Maxime A.; Lectka, Thomas","Switching a HO···π Interaction to a Nonconventional OH···π Hydrogen Bond: A Completed Crystallographic Puzzle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01121","","","1.54178","CuKα","","0.0703","0.0528","","","0.1322","0.1421","","","","","","1.046","","","","has coordinates,has disorder","254358","2020-10-21","18:00:00",""
"4038590","6.8083","0.0006","15.0243","0.001","34.886","0.002","90","","90","","90","","3568.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 F3 N3 O2 -","- C20 H16 F3 N3 O2 -","- C160 H128 F24 N24 O16 -","8","2","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0582","0.0513","","","0.1395","0.1455","","","","","","1.049","","","","has coordinates","254359","2020-10-21","18:00:00",""
"4038591","10.1231","0.0005","10.3591","0.0006","24.2386","0.0012","90","","90","","90","","2541.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 N3 O5 S -","- C27 H22 F3 N3 O5 S -","- C108 H88 F12 N12 O20 S4 -","4","1","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0494","0.039","","","0.1076","0.1283","","","","","","0.906","","","","has coordinates","254360","2020-10-21","18:00:00",""
"4038592","6.804","0.0011","12.317","0.002","17.084","0.003","90","","90","","90","","1431.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Shatsauskas, Anton L.; Mamonova, Tatyana E.; Stasyuk, Anton J.; Chernenko, Sergey A.; Slepukhin, Pavel A.; Kostyuchenko, Anastasia S.; Fisyuk, Alexander Semenovich","A rearrangement of 7-aryloxazolo[5,4-b]pyridines to benzo[c][1,7]naphthyridine-4(3H)-ones and thieno[3,2-c][1,7]naphthyridine-6(7H)-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01299","","","0.71073","MoKα","","0.1614","0.0557","","","0.0982","0.1428","","","","","","0.981","","","","has coordinates","254441","2020-10-21","18:00:00",""
"4038593","7.8473","0.0004","7.4755","0.0004","24.8721","0.0013","90","","94.13","0.001","90","","1455.27","0.13","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 F6 N0 O2 S4 -","- C30 H22 F6 O2 S4 -","- C60 H44 F12 O4 S8 -","2","0.5","","Soni, Sonam; Pali, Pragya; Ansari, Monish Arbaz; Singh, Maya Shankar","Visible-Light Photocatalysis of Eosin Y: HAT and Complementing MS-CPET Strategy to Trifluoromethylation of β-Ketodithioesters with Langlois' Reagent.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01355","","","0.71073","MoKα","","0.0551","0.0442","","","0.1113","0.1192","","","","","","1.03","","","","has coordinates","254442","2020-10-21","18:00:00",""
"4038594","20.2904","0.001","6.2175","0.0003","11.6198","0.0005","90","","101.089","0.004","90","","1438.53","0.12","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C56 H72 N8 O12 S4 -","4","1","","Fujiu, Motohiro; Yokoo, Katsuki; Aoki, Toshiaki; Shibuya, Satoru; Sato, Jun; Komano, Kazuo; Kusano, Hiroki; Sato, Soichiro; Ogawa, Masayoshi; Yamawaki, Kenji","Synthesis of 2-Thio-Substituted 1,6-Diazabicyclo[3.2.1]octane Derivatives, Potent β-Lactamase Inhibitors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00980","","x-ray","1.54184","CuKα","","0.0443","0.0441","","","0.107","0.1071","","","","","","1.048","","","","has coordinates","254443","2020-10-21","18:00:00",""
"4038595","11.9289","0.0004","8.8193","0.0003","16.9246","0.0006","90","","100.021","0.002","90","","1753.38","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H41 N O5 S -","- C42 H41 N O5 S -","- C84 H82 N2 O10 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","1.54178","CuKα","","0.0433","0.0393","","","0.0872","0.0896","","","","","","1.059","","","","has coordinates,has disorder","254444","2020-10-21","18:00:00",""
"4038596","5.9632","0.0002","18.9516","0.0009","15.9602","0.0007","90","","95.889","0.002","90","","1794.18","0.13","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H33 N O9 S -","- C42 H33 N O9 S -","- C84 H66 N2 O18 S2 -","2","1","","Shrestha, Ganesh; Panza, Matteo; Singh, Yashapal; Rath, Nigam P.; Demchenko, Alexei V.","Indolylthio glycosides as effective building blocks for chemical glycosylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00943","","","0.71073","MoKα","","0.0659","0.0412","","","0.0757","0.0852","","","","","","1.041","","","","has coordinates","254445","2020-10-21","18:00:00",""
"4038597","18.8334","0.0003","17.4964","0.0003","19.2021","0.0003","90","","90","","90","","6327.41","0.18","302","2","302.61","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H43 N3 O8 -","- C30 H43 N3 O8 -","- C240 H344 N24 O64 -","8","1","","Zhang, Mengsi; Li, Baojun; Chen, Huimin; Lu, Haotian; Ma, Hailong; Cheng, Xiaoyu; Wang, Wenbo; Wang, Yue; Ding, Yun; Hu, Aiguo","Triggering the Antitumor Activity of Acyclic Enediyne through Maleimide Assisted Rearrangement and Cycloaromatization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01124","","","1.34139","GaKα","","0.0559","0.0443","","","0.1143","0.1231","","","","","","1.042","","","","has coordinates","254484","2020-10-21","18:00:00",""
"4038598","11.6878","0.0004","12.5438","0.0004","13.3312","0.0004","70.9079","0.0014","72.8568","0.0015","81.449","0.0016","1761.95","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H29 Br2 N3 O5 S2 -","- C34 H29 Br2 N3 O5 S2 -","- C68 H58 Br4 N6 O10 S4 -","2","1","","Dhanasekar, Elumalai; Kannan, Tharanikkarasu; Venkatesan, Ragavan; Perumal, Paramasivam Thirumalai; Kamalraja, Jayabal","Metal-Free and Regioselective Synthesis of Substituted and Fused Chromenopyrrole Scaffolds via Divergent Reactivity of α-Azido Ketone in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00978","","","0.71073","MoKα","","0.0982","0.0531","","","0.1262","0.1477","","","","","","1.034","","","","has coordinates","254485","2020-10-21","18:00:00",""
"4038599","6.5595","0.0012","10.6346","0.0019","13.94","0.003","108.236","0.002","94.37","0.002","99.634","0.002","901.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 B N2 O3 -","- C20 H19 B N2 O3 -","- C40 H38 B2 N4 O6 -","2","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0553","0.0498","","","0.1816","0.1954","","","","","","1.036","","","","has coordinates","254516","2020-10-21","18:00:00",""
"4038600","12.151","0.007","6.869","0.004","20.974","0.011","90","","104.652","0.007","90","","1693.7","1.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B N5 O6 -","- C15 H16 B N5 O6 -","- C60 H64 B4 N20 O24 -","4","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.262","0.09","","","0.1732","0.2432","","","","","","0.906","","","","has coordinates","254518","2020-10-21","18:00:00",""
"4038601","8.303","0.002","9.935","0.003","21.623","0.006","90","","97.49","0.004","90","","1768.5","0.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B Cl3 N4 O2 S -","- C12 H14 B Cl3 N4 O2 S -","- C48 H56 B4 Cl12 N16 O8 S4 -","4","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.1146","0.0575","","","0.1461","0.1744","","","","","","1.021","","","","has coordinates","254519","2020-10-21","18:00:00",""
"4038602","9.6949","0.0009","12.4853","0.0011","15.2894","0.0014","100.708","0.001","95.767","0.001","97.285","0.001","1789.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 B N3 O5 -","- C19 H16 B N3 O5 -","- C76 H64 B4 N12 O20 -","4","2","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0489","0.0423","","","0.1169","0.1222","","","","","","1.047","","","","has coordinates","254520","2020-10-21","18:00:00",""
"4038603","3.7451","0.0011","7.501","0.002","21.773","0.006","90","","92.94","0.004","90","","610.8","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 B N3 O5 -","- C12 H10 B N3 O5 -","- C24 H20 B2 N6 O10 -","2","1","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.0378","0.0344","","","0.0862","0.0881","","","","","","1.037","","","","has coordinates","254521","2020-10-21","18:00:00",""
"4038604","13.081","0.007","15.69","0.004","16.982","0.004","116.092","0.003","97.851","0.004","101.938","0.004","2958","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 B N3 O2 -","- C15 H18 B N3 O2 -","- C120 H144 B8 N24 O16 -","8","4","","Suzuki, Yota; Ikeda, Ayumi; Ohno, Keiji; Fujihara, Takashi; Sugaya, Tomoaki; Ishihara, Koji","<i>o</i>-Azophenylboronic Acid-Based Colorimetric Sensors for d-Fructose: <i>o</i>-Azophenylboronic Acids with Inserted Protic Solvent Are the Key Species for a Large Color Change.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01011","","","0.71073","MoKα","","0.1923","0.0757","","","0.1667","0.2232","","","","","","0.924","","","","has coordinates","254522","2020-10-21","18:00:00",""
"4038605","9.9459","0.0011","10.0372","0.0015","10.2116","0.0012","85.58","0.011","72.746","0.01","67.106","0.012","896","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O -","- C26 H17 N O -","- C52 H34 N2 O2 -","2","1","","Hua, Yiwen; Chen, Zi-Yan; Diao, Hanying; Zhang, Lianpeng; Qiu, Guanyinsheng; Gao, Xiaoxing; Zhou, Hongwei","Copper Catalyzed Preparation of Benzo[3,4]indolo[1,2-b]isoquinoline-8-ones and Photoluminescence Exploration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00936","","x-ray","1.54184","CuKα","","0.0571","0.0437","","","0.1134","0.1242","","","","","","1.03","","","","has coordinates","254559","2020-10-21","18:00:00",""
"4038606","9.2416","0.0005","18.9953","0.0011","14.738","0.0007","90","","103.756","0.005","90","","2513","0.2","292.9","0.1","292.9","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O -","- C32 H26 N2 O -","- C128 H104 N8 O4 -","4","1","","Du, Li-Juan; Zhang, Yuecheng; Zhang, Hong-Yu; Yin, Guohui; Wang, Xiao-Yan; Zhao, Jiquan; Han, Ya-Ping","Synthesis of 1,6-Dihydropyridine-3-carbonitrile Derivatives via Lewis Acid-Catalyzed Annulation of Propargylic Alcohols with (E)-3-amino-3-phenylacrylonitriles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01171","","x-ray","0.71073","MoKα","","0.1375","0.0868","","","0.1871","0.2198","","","","","","1.043","","","","has coordinates","254560","2020-10-21","18:00:00",""
"4038607","9.1035","0.0003","9.7637","0.0003","13.8594","0.0004","94.342","0.002","106.336","0.002","116.57","0.003","1027.74","0.07","295.9","0.3","295.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 I O2 S2 -","- C21 H19 I O2 S2 -","- C42 H38 I2 O4 S4 -","2","1","","Jian, Xue; Bai, Li-Gang; Zhang, Liang; Zhou, Yue; Lin, Xiao-Long; Mou, Neng-Jie; Xiao, Dong-Rong; Luo, Qun-Li","One-Pot Synthesis of 2,4-Diacyl Thiophenes from α-Oxo Ketene Dithioacetals and Propargylic Alcohols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01093","","x-ray","1.54184","CuKα","","0.0676","0.0659","","","0.1721","0.1763","","","","","","1.041","","","","has coordinates","254589","2020-10-21","18:00:00",""
"4038608","5.6895","0.0002","12.5824","0.0005","25.6234","0.001","90","","90","","90","","1834.32","0.12","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F3 N O6 -","- C18 H22 F3 N O6 -","- C72 H88 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0245","0.0235","","","0.0581","0.0588","","","","","","1.069","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038609","8.6589","0.0002","9.9867","0.0002","20.1991","0.0005","90","","90","","90","","1746.69","0.07","102","2","102","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F3 N O5 -","- C18 H20 F3 N O5 -","- C72 H80 F12 N4 O20 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0302","0.0284","","","0.0631","0.0641","","","","","","1.082","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038610","8.113","0.005","9.611","0.005","18.867","0.005","90","0.005","90","0.005","90","0.005","1471.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O4 -","- C15 H16 F3 N O4 -","- C60 H64 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0225","0.0221","","","0.0565","0.0569","","","","","","1.08","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038611","8.8728","0.0004","11.3215","0.0005","13.0054","0.0006","90","","90","","90","","1306.44","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 F3 N O6 -","- C10 H16 F3 N O6 -","- C40 H64 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0259","0.0247","","","0.0641","0.0652","","","","","","1.045","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038612","8.26","0.005","10.089","0.005","18.565","0.005","90","0.005","90","0.005","90","0.005","1547.1","1.3","101","2","101","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F3 N O4 -","- C16 H18 F3 N O4 -","- C64 H72 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0238","0.0233","","","0.0605","0.0612","","","","","","1.043","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038613","10.5277","0.0009","16.5073","0.0015","19.0274","0.0016","90","","90","","90","","3306.7","0.5","100","2","100.02","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F3 N O3 -","- C16 H14 Cl2 F3 N O3 -","- C128 H112 Cl16 F24 N8 O24 -","8","2","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.035","0.0317","","","0.0682","0.0702","","","","","","1.088","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038614","13.4894","0.0001","6.9863","0.0001","18.057","0.0002","90","","96.75","0.001","90","","1689.91","0.03","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","x-ray","1.54184","CuKα","","0.0425","0.0402","","","0.108","0.11","","","","","","1.099","","","","has coordinates","254605","2020-10-21","18:00:00",""
"4038615","9.7358","0.0002","24.4825","0.0003","7.6319","0.0001","90","","100.777","0.001","90","","1787.03","0.05","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","x-ray","1.54184","CuKα","","0.0519","0.0489","","","0.1359","0.1391","","","","","","1.053","","","","has coordinates","254606","2020-10-21","18:00:00",""
"4038616","12.4873","0.0018","14.046","0.002","29.563","0.004","90","","90","","90","","5185.3","1.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C208 H328 N8 O40 Si8 -","8","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","","0.71075","MoKα","","","0.0665","","","","0.18","","","","","","1.085","","","","has coordinates","254607","2020-10-21","18:00:00",""
"4038617","12.769","0.0015","5.7458","0.0007","31.33","0.004","90","","90","","90","","2298.6","0.5","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0535","0.0486","","","0.1211","0.1248","","","","","","1.063","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038618","28.3527","0.0007","6.0676","0.0001","14.7772","0.0004","90","","93.381","0.001","90","","2537.74","0.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 O4.5 -","- C13 H19 O4.5 -","- C104 H152 O36 -","8","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.046","0.0414","","","0.1124","0.1173","","","","","","1.053","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038619","6.3257","0.0003","7.1917","0.0003","20.208","0.001","90","","98.685","0.003","90","","908.77","0.07","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 O5 Si -","- C16 H32 O5 Si -","- C32 H64 O10 Si2 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","1.34139","GaKα","","0.0405","0.0357","","","0.0782","0.0814","","","","","","1.062","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038620","6.7174","0.0004","7.3675","0.0005","14.6311","0.0008","90","","95.693","0.002","90","","720.53","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C30 H52 O8 -","2","1","","Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang","Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01280","","","0.71073","MoKα","","0.0367","0.0329","","","0.0794","0.0829","","","","","","1.017","","","","has coordinates","254608","2020-10-21","18:00:00",""
"4038621","7.6652","0.0003","10.2251","0.0003","10.0678","0.0004","90","","97.411","0.003","90","","782.5","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.75 H1.88 N0.12 O0.12 -","- C2.75 H1.875 N0.125 O0.125 -","- C44 H30 N2 O2 -","16","8","","Lyu, Xue-Li; Huang, Shi-Sheng; Huang, Yuan-Qiong; Li, Yongqiang; Song, Hong-Jian; Liu, Yuxiu; Wang, Qingmin","Rhodium(III)-Catalyzed Direct Coupling of Quinoline-8-Carbaldehydes with (Het)Arylboronic Acids for the Synthesis of 8-Aryloylquinolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01490","","","0.71073","MoKα","","0.0334","0.0317","","","0.0834","0.0855","","","","","","1.001","","","","has coordinates","254627","2020-10-21","18:00:00",""
"4038622","13.4947","0.0003","14.2983","0.0004","16.9696","0.0005","67.4217","0.0011","72.7655","0.001","81.2908","0.001","2884.97","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H74 Cl2 N6 O6 S6 -","- C58 H74 Cl2 N6 O6 S6 -","- C116 H148 Cl4 N12 O12 S12 -","2","1","","Etkind, Samuel I.; Vander Griend, Douglas A.; Swager, Timothy M.","Electroactive Anion Receptor with High Affinity for Arsenate","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01206","","","0.71073","MoKα","","0.0566","0.0407","","","0.0988","0.109","","","","","","1.037","","","","has coordinates","254628","2020-10-21","18:00:00",""
"4038623","12.9213","0.0003","16.017","0.0003","20.8553","0.0004","104.882","0.001","91.17","0.001","90.245","0.001","4170.37","0.15","170","2","170","","","","","","","","","5","P 1","P 1","1","","","","- C49 H36 F N3 O3 -","- C49 H36 F N3 O3 -","- C196 H144 F4 N12 O12 -","4","4","","Chen, Ke-Wei; Wang, Zhao-Shan; Wu, Ping; Yan, Xin-Yu; Zhang, Shu; Zhang, Yu-Chen; Shi, Feng","Catalytic Asymmetric Synthesis of 3,3'-Bisindoles Bearing Single Axial Chirality.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01528","","","1.34139","GaKα","","0.0736","0.0508","","","0.1147","0.1286","","","","","","1.033","","","","has coordinates","254629","2020-10-21","18:00:00",""
"4038624","7.3169","0.0001","21.1822","0.0002","21.2038","0.0002","90","","90","","90","","3286.34","0.06","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C23 H22 -","- C23 H22 -","- C184 H176 -","8","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0925","0.0942","","","","","","1.025","","","","has coordinates","254659","2020-10-21","18:00:00",""
"4038625","11.0596","0.0002","8.4681","0.0001","33.2511","0.0005","90","","99.015","0.001","90","","3075.62","0.08","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 -","- C21 H20 -","- C168 H160 -","8","2","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","","1.54178","CuKα","","0.0405","0.0383","","","0.0925","0.0938","","","","","","1.076","","","","has coordinates","254660","2020-10-21","18:00:00",""
"4038626","11.7922","0.0002","7.3144","0.0001","23.5196","0.0003","90","","91.718","0.001","90","","2027.72","0.05","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0257","0.0256","","","0.0692","0.0693","","","","","","1.057","","","","has coordinates","254661","2020-10-21","18:00:00",""
"4038627","9.4761","0.0001","9.698","0.0001","23.3128","0.0003","90","","97.566","0.001","90","","2123.78","0.04","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 -","- C32 H22 -","- C128 H88 -","4","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0348","0.034","","","0.0826","0.0833","","","","","","1.029","","","","has coordinates","254662","2020-10-21","18:00:00",""
"4038628","12.742","0.003","9.0469","0.0019","26.924","0.006","90","","96.544","0.009","90","","3083.5","1.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H25 F6 N O9 S2 -","- C28 H25 F6 N O9 S2 -","- C112 H100 F24 N4 O36 S8 -","4","2","","Chu, Ming-Ming; Chen, Xue-Yang; Wang, Yi-Feng; Qi, Suo-Suo; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan","Regio- and Enantioselective Friedel-Crafts Benzhydrylation of Indoles in Carbocyclic Ring with ortho-Quinomethanes: Access to Chiral Diarylindolylmethanes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03479","","","0.71073","MoKα","","0.1251","0.0878","","","0.2305","0.2687","","","","","","1.034","","","","has coordinates","254685","2020-10-21","18:00:00",""
"4038629","9.238","0.0007","11.0371","0.0009","12.9522","0.0007","104.269","0.006","101.676","0.005","98.093","0.006","1227.84","0.16","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Br N O3 S -","- C28 H20 Br N O3 S -","- C56 H40 Br2 N2 O6 S2 -","2","1","","Chen, Zhan; Jin, Shengnan; Jiang, Wenyao; Zhu, Feimin; Chen, Yuqi; Zhao, Yingwei","Multicomponent Synthesis of Iminocoumarins via Rhodium-Catalyzed C-H Bond Activation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01303","","x-ray","0.71073","MoKα","","0.0699","0.0433","","","0.0937","0.1101","","","","","","1.0518","","","","has coordinates","254686","2020-10-21","18:00:00",""
"4038630","13.41972","0.00009","13.53829","0.00009","13.78246","0.00009","90","","90","","90","","2504","0.03","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O5 -","- C28 H38 O5 -","- C112 H152 O20 -","4","1","","Elsayed, Somayah; Genta-Jouve, Gregory; Carrión, Víctor; Nibbering, Peter; Siegler, Maxime A.; de Boer, Wietse; Hankemeier, Thomas; van Wezel, Gilles P.","Atypical Spirotetronate Polyketides Identified in the Under-explored Genus Streptacidiphilus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01210","","","1.54178","CuKα","","0.0246","0.0245","","","0.0632","0.0633","","","","","","1.053","","","","has coordinates","254708","2020-10-21","18:00:00",""
"4038631","15.4794","0.0004","11.3565","0.0003","17.3278","0.0004","90","","100.282","0.001","90","","2997.17","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Cl2 -","- C42 H26 Cl2 -","- C168 H104 Cl8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0437","0.0364","","","0.0892","0.0938","","","","","","1.007","","","","has coordinates","254709","2020-10-21","18:00:00",""
"4038632","14.1264","0.0003","11.2302","0.0003","20.1932","0.0005","90","","108.151","0.001","90","","3044.09","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 O2 -","- C44 H32 O2 -","- C176 H128 O8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0479","0.0407","","","0.1006","0.1059","","","","","","1.027","","","","has coordinates,has disorder","254710","2020-10-21","18:00:00",""
"4038633","13.4014","0.0003","16.7991","0.0004","17.6974","0.0004","90","","94.059","0.001","90","","3974.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 Cl2 -","- C56 H40 Cl2 -","- C224 H160 Cl8 -","4","1","","Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L.","Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01235","","","1.54178","CuKα","","0.0578","0.0511","","","0.1252","0.1296","","","","","","1.053","","","","has coordinates,has disorder","254711","2020-10-21","18:00:00",""
"4038634","8.2755","0.0003","10.0566","0.0004","14.2145","0.0006","96.365","0.003","98.489","0.003","108.418","0.004","1094.34","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl N O4 -","- C20 H12 Cl N O4 -","- C40 H24 Cl2 N2 O8 -","2","1","","Joshi, Dirgha Raj; Seo, Yohan; Heo, Yunkyung; Park, So-Hyeon; Lee, Yechan; Namkung, Wan; Kim, Ikyon","Domino [4+2] Annulation Access to Quinone-Indolizine Hybrids: Anticancer N-Fused Polycycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01291","","x-ray","0.71073","MoKα","","0.0656","0.0553","","","0.1689","0.1782","","","","","","1.062","","","","has coordinates","254712","2020-10-21","18:00:00",""
"4038635","6.3409","0.0002","15.7289","0.0006","21.5122","0.0009","90","","90","","90","","2145.53","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Br N2 O4 -","- C26 H21 Br N2 O4 -","- C104 H84 Br4 N8 O16 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.0779","0.0569","","","0.1162","0.1268","","","","","","1.045","","","","has coordinates","254736","2020-10-21","18:00:00",""
"4038636","9.4438","0.0002","12.2974","0.0002","18.032","0.0004","90","","90","","90","","2094.13","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O2 -","- C23 H25 Br N2 O2 -","- C92 H100 Br4 N8 O8 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.077","0.0674","","","0.1235","0.1305","","","","","","1.066","","","","has coordinates","254737","2020-10-21","18:00:00",""
"4038637","11.7533","0.001","7.0684","0.0006","28.577","0.002","90","","98.767","0.003","90","","2346.4","0.3","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C120 H104 O16 -","4","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0518","0.0425","","0.111","0.1039","0.1108","","","","","","1.0047","","","","has coordinates","254743","2020-10-21","18:00:00",""
"4038638","10.1603","0.0006","14.3842","0.0007","29.7704","0.0018","90","","90","","90","","4350.9","0.4","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O4 -","- C30 H18 O4 -","- C240 H144 O32 -","8","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0759","0.0436","","0.1038","0.0895","0.1036","","","","","","0.9672","","","","has coordinates","254744","2020-10-21","18:00:00",""
"4038639","8.2499","0.0004","16.3857","0.0008","23.2184","0.0009","90","","91.583","0.002","90","","3137.5","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N O2 S -","- C43 H29 N O2 S -","- C172 H116 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.09","0.0514","","","0.1028","0.1225","","","","","","1.039","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038640","19.4003","0.0009","8.8494","0.0004","21.4549","0.001","90","","110.588","0.001","90","","3448.2","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Cl3 N O2 S -","- C44 H28 Cl3 N O2 S -","- C176 H112 Cl12 N4 O8 S4 -","4","1","","Yang, Sheng-Yi; Tian, Qi-Sheng; Yu, You-Jun; Zou, Sheng-Nan; Li, Hong-Cheng; Khan, Aziz; Wu, Qian-Han; Jiang, Zuo-Quan; Liao, Liang-Sheng","Sky-Blue Thermally Activated Delayed Fluorescence with Intramolecular Spatial Charge Transfer Based on a Dibenzothiophene Sulfone Emitter.","The Journal of organic chemistry","2020","85","16","10628","10637","10.1021/acs.joc.0c01200","","","0.71073","MoKα","","0.0931","0.0757","","","0.1898","0.2024","","","","","","1.06","","","","has coordinates","255875","2020-10-21","18:00:00",""
"4038641","21.308","0.007","10.085","0.002","8.125","0.002","90","","95.72","0.02","90","","1737.3","0.8","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N O -","- C24 H14 F3 N O -","- C96 H56 F12 N4 O4 -","4","1","","Zhang, Yu; Yu, Yue; Liang, Bing-Bing; Pei, Yong-Yan; Liu, Xiang; Yao, Hua-Gang; Cao, Hua","Synthesis of Pyrrolo[2,1,5-cd]indolizine Rings via Visible-Light-Induced Intermolecular [3+2] Cycloaddition of Indolizines and Alkynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01253","","x-ray","0.71073","MoKα","","0.1077","0.0883","","","0.1954","0.2242","","","","","","1.15","","","","has coordinates","254809","2020-10-21","18:00:00",""
"4038642","6.9037","0.0003","10.4256","0.0004","15.9906","0.0007","75.052","0.002","81.967","0.002","79.048","0.002","1086.72","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 Cl N4 -","- C27 H23 Cl N4 -","- C54 H46 Cl2 N8 -","2","1","","Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long","C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01454","","","0.71073","MoKα","","0.0607","0.0397","","","0.0898","0.1011","","","","","","1.043","","","","has coordinates","254810","2020-10-21","18:00:00",""
"4038643","8.0093","0.0009","13.7121","0.0017","17.661","0.002","90","","102.821","0.003","90","","1891.2","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl F3 N3 -","- C21 H17 Cl F3 N3 -","- C84 H68 Cl4 F12 N12 -","4","1","","Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long","C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01454","","","0.71073","MoKα","","0.1416","0.0759","","","0.1272","0.1565","","","","","","1.071","","","","has coordinates","254811","2020-10-21","18:00:00",""
"4038644","14.7629","0.0006","13.4736","0.0005","8.8054","0.0003","90","","90","","90","","1751.48","0.11","250","2","250","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H16 Cl2 N2 O6 -","- C17 H16 Cl2 N2 O6 -","- C34 H32 Cl4 N4 O12 -","2","0.5","","Sun, Guodong; Wang, Zhongqing; Luo, Zhonghua; Lin, YiCao; Deng, Zhuofei; Li, Ridong; Zhang, Jiancun","Design, Synthesis and Resolution of Spirocyclic Bisoxindoles Based C2-Symmetric Diols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01155","","","0.71073","MoKα","","0.1081","0.098","","","0.296","0.3139","","","","","","1.366","","","","has coordinates","254841","2020-10-21","18:00:00",""
"4038645","28.9222","0.001","7.8099","0.0003","31.9633","0.001","90","","113.747","0.002","90","","6608.6","0.4","110","2","110.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H54 O5 Si3 -","- C26 H54 O5 Si3 -","- C208 H432 O40 Si24 -","8","2","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","1.54178","CuKα","","0.0491","0.0436","","","0.1034","0.1076","","","","","","1.073","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038646","7.858","0.0016","31.257","0.006","28.576","0.006","90","","90","0.01","90","","7019","2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H55.75 O6 Si3 -","- C27 H55.75 O6.00025 Si3 -","- C216 H446 O48.002 Si24 -","8","4","","Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian","Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01240","","","0.710751","Synchrotron","","0.1062","0.0979","","","0.2425","0.2594","","","","","","1.026","","","","has coordinates,has disorder","255134","2020-10-21","18:00:00",""
"4038647","14.5692","0.0007","16.642","0.0008","37.323","0.0017","90","","90","","90","","9049.4","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 Eu2 N4 O9 -","- C94 H104 Eu2 N4 O9 -","- C376 H416 Eu8 N16 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0322","0.0287","","","0.0683","0.0699","","","","","","1.039","","","","has coordinates","255135","2020-10-21","18:00:00",""
"4038648","14.6007","0.001","16.7977","0.0011","37.486","0.003","90","","90","","90","","9193.7","1.1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 N4 Nd2 O9 -","- C94 H104 N4 Nd2 O9 -","- C376 H416 N16 Nd8 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0598","0.0427","","","0.0814","0.0862","","","","","","1.051","","","","has coordinates","255136","2020-10-21","18:00:00",""
"4038649","14.5715","0.0011","16.3015","0.0013","36.96","0.003","90","","90","","90","","8779.4","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H106 N4 O10 Y2 -","- C94 H106 N4 O10 Y2 -","- C376 H424 N16 O40 Y8 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.1063","0.0715","","","0.1512","0.1631","","","","","","1.067","","","","has coordinates","255137","2020-10-21","18:00:00",""
"4038650","12.2177","0.0004","12.0514","0.0004","12.2819","0.0004","90","","90.36","0.001","90","","1808.36","0.1","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","4","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","1.54178","CuKα","","0.0631","0.0522","","","0.1237","0.1327","","","","","","1.086","","","","has coordinates","255138","2020-10-21","18:00:00",""
"4038651","13.7694","0.0006","26.093","0.0011","14.2594","0.0007","90","","115.124","0.001","90","","4638.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H86 La2 N4 O6 -","- C86 H86 La2 N4 O6 -","- C172 H172 La4 N8 O12 -","2","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0511","0.0384","","","0.0984","0.1062","","","","","","1.02","","","","has coordinates","255139","2020-10-21","18:00:00",""
"4038652","10.671","0.0006","22.8755","0.0015","9.5065","0.0006","90","","92.152","0.004","90","","2318.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br N O5 -","- C23 H28 Br N O5 -","- C92 H112 Br4 N4 O20 -","4","1","","Ubale, Akash; Chaudhari, Moreshwar Bhagwan; Shaikh, Moseen A.; Gnanaprakasam, Boopathy","Manganese-Catalyzed Synthesis of Quaternary Peroxides: Application in Catalytic Deperoxidation and Rearrangement Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00837","","","1.54178","CuKα","","0.1205","0.0819","","","0.1986","0.2196","","","","","","1.063","","","","has coordinates","255140","2020-10-21","18:00:00",""
"4038653","11.949","0.003","25.877","0.006","16.528","0.005","90","","98.21","0.02","90","","5058","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H48 Cl6 N2 O4 S2 -","- C53 H47 Cl3 N2 O4 S2 -","- C212 H188 Cl12 N8 O16 S8 -","4","1","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","1.54178","CuKα","","0.0972","0.0719","","","0.1746","0.203","","","","","","1.052","","","","has coordinates","255141","2020-10-21","18:00:00",""
"4038654","7.6244","0.0001","10.3907","0.0002","15.0797","0.0003","92.525","0.002","97.786","0.002","98.462","0.002","1168.26","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 N2 O4 S2 -","- C56 H52 N2 O4 S2 -","- C56 H52 N2 O4 S2 -","1","0.5","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","x-ray","1.54184","CuKα","","0.047","0.0427","","","0.1036","0.1063","","","","","","1.02","","","","has coordinates","255142","2020-10-21","18:00:00",""
"4038655","13.0977","0.0014","15.0775","0.0016","15.4634","0.0015","115.901","0.003","94.74","0.003","112.307","0.003","2425.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H44 O4 S2 -","- C48 H44 O4 S2 -","- C96 H88 O8 S4 -","2","1","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","0.71073","MoKα","","0.1466","0.0848","","","0.2035","0.2237","","","","","","1.002","","","","has coordinates","255143","2020-10-21","18:00:00",""
"4038656","8.1459","0.0003","9.0608","0.0004","13.5621","0.0005","75.86","0.002","73.582","0.002","84.176","0.002","930.52","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Cl3 O4 S2 -","- C43 H33 Cl3 O4 S2 -","- C43 H33 Cl3 O4 S2 -","1","0.5","","Dressler, Justin; Barker, Joshua E.; Karas, Lucas J.; Hashimoto, Hannah; Kishi, Ryohei; Zakharov, Lev N.; MacMillan, Samantha N.; Gómez-García, Carlos J; Nakano, Masayoshi; Wu, Judy I.; Haley, Michael M.","Late-stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01387","","","1.54178","CuKα","","0.0566","0.053","","","0.1387","0.1411","","","","","","1.077","","","","has coordinates,has disorder","255144","2020-10-21","18:00:00",""
"4038657","9.5884","0.0006","14.8739","0.0009","15.0818","0.0009","90.941","0.003","94.795","0.004","102.677","0.003","2089.8","0.2","100","","100","","","","","","","","","3","P 1","P 1","1","","(1R,2S,4R)-4-(methoxycarbonyl)-2-methylcyclohexane-1-carboxylic acid","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","8","","Cornelius, Lyndon A. M.; Li, Jianqing; Smith, Daniel; Krishnananthan, Subramaniam; Yip, Shiuhang; Wu, Dauh-Rurng; Pawluczyk, Joseph; Aulakh, Darpandeep; Sarjeant, Amy A.; Kempson, James; Tino, Joseph A.; Mathur, Arvind; Dhar, T. G. Murali; Cherney, Robert J.","Synthesis of 1-(tert-Butyl) 4-Methyl (1R,2S,4R)-2-Methylcyclohexane-1,4-Dicarboxylate from Hagemann's tert-Butyl Ester for an Improved Synthesis of BMS-986251.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01169","","x-ray","1.54178","CuKα","","0.085","0.079","","","0.2003","0.2059","","","","","","1.046","","","","has coordinates,has disorder","255187","2020-10-21","18:00:00",""
"4038658","9.1062","0.0015","11.3846","0.0018","13.688","0.002","105.432","0.002","100.772","0.002","112.646","0.002","1193.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H43 P Si4 -","- C17 H43 P Si4 -","- C34 H86 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0416","0.0377","","","0.1255","0.1301","","","","","","1.11","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038659","11.3795","0.0013","15.8206","0.0018","14.3559","0.0017","90","","102.901","0.0012","90","","2519.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H45 P Si4 -","- C18 H45 P Si4 -","- C72 H180 P4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0785","0.0738","","","0.22","0.2313","","","","","","1.088","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038660","8.501","0.002","11.132","0.003","15.43","0.004","106.972","0.002","91.957","0.003","109.448","0.002","1302.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H47 P Si4 -","- C19 H47 P Si4 -","- C38 H94 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0351","0.0317","","","0.0812","0.0833","","","","","","1.043","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038661","8.365","0.002","11.304","0.003","16.179","0.004","109.976","0.003","92.19","0.004","108.632","0.004","1343.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H49 P Si4 -","- C20 H49 P Si4 -","- C40 H98 P2 Si8 -","2","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0789","0.0532","","","0.1207","0.1334","","","","","","1.08","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038662","16.317","0.003","10.0485","0.0018","18.383","0.003","90","","90","","90","","3014.1","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H55 P Si4 -","- C26 H55 P Si4 -","- C104 H220 P4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0285","0.025","","","0.0586","0.0605","","","","","","1.033","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038663","11.3052","0.0004","16.6951","0.0006","17.9915","0.0006","90","","90.973","0.001","90","","3395.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 F6 P Sb Si4 -","- C26 H56 F6 P Sb Si4 -","- C104 H224 F24 P4 Sb4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0238","0.0208","","","0.0501","0.0524","","","","","","1.016","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038664","10.0857","0.0005","11.4481","0.0005","30.5231","0.0014","90","","95.713","0.001","90","","3506.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H57 Ag F6 O P2 Si4 -","- C26 H57 Ag F6 O P2 Si4 -","- C104 H228 Ag4 F24 O4 P8 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0413","0.0315","","","0.0627","0.0667","","","","","","1.056","","","","has coordinates,has disorder","255188","2020-10-21","18:00:00",""
"4038665","13.525","0.0003","14.4928","0.0003","20.6967","0.0004","80.1888","0.0017","78.9436","0.0018","82.5255","0.0018","3903.38","0.14","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N12 O14 -","- C30 H32 N12 O14 -","- C120 H128 N48 O56 -","4","2","","Breton, Gary W.; Martin, Kenneth L.","Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01425","","x-ray","0.71073","MoKα","","0.1156","0.0642","","","0.1485","0.1663","","","","","","1.037","","","","has coordinates","255189","2020-10-21","18:00:00",""
"4038666","11.442","0.00011","35.588","0.0004","12.41317","0.00017","90","","108.58","0.0012","90","","4791.16","0.1","100","0.12","100","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N18 O18 -","- C36 H36 N18 O18 -","- C144 H144 N72 O72 -","4","1","","Breton, Gary W.; Martin, Kenneth L.","Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01425","","x-ray","1.54184","CuKα","","0.0615","0.0518","","","0.1269","0.1316","","","","","","1.051","","","","has coordinates,has disorder","255190","2020-10-21","18:00:00",""
"4038667","23.94","0.03","10.015","0.003","26.173","0.015","90","","90","","90","","6275","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H37 N5 O3 -","- C36 H37 N5 O3 -","- C288 H296 N40 O24 -","8","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.4631","0.0983","","","0.1124","0.2015","","","","","","0.9","","","","has coordinates","255219","2020-10-21","18:00:00",""
"4038668","8.8554","0.0004","15.448","0.0006","15.7234","0.0008","87.963","0.004","76.295","0.004","75.824","0.003","2025.48","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H49 N5 O9 -","- C42 H49 N5 O9 -","- C84 H98 N10 O18 -","2","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.0891","0.0548","","","0.1297","0.1483","","","","","","1.024","","","","has coordinates","255220","2020-10-21","18:00:00",""
"4038669","13.5493","0.0005","14.2703","0.0003","6.6906","0.0002","90","","90","","90","","1293.64","0.07","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter","FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01184","","","0.71073","MoKα","","0.0435","0.0374","","","0.0933","0.0974","","","","","","1.082","","","","has coordinates","255221","2020-10-21","18:00:00",""
"4038670","7.1566","0.0006","6.7942","0.0006","13.6647","0.0011","90","","94.077","0.008","90","","662.74","0.1","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter","FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01184","","","0.71073","MoKα","","0.0803","0.0505","","","0.1285","0.1359","","","","","","1.053","","","","has coordinates","255221","2020-10-21","18:00:00",""
"4038671","5.0456","0.0004","10.0717","0.0008","20.3776","0.0017","96.509","0.004","95.256","0.004","90.126","0.004","1024.46","0.14","100","","99.98","","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 N O2 P -","- C26 H22 N O2 P -","- C52 H44 N2 O4 P2 -","2","2","","Winters, Karen R.; Montchamp, Jean-Luc","Evaluation and Development of Methodologies for the Synthesis of Thiophosphinic Acids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01151","","","0.71073","MoKα","","0.0522","0.0517","","","0.1388","0.139","","","","","","1.194","","","","has coordinates,has disorder","255240","2020-10-21","18:00:00",""
"4038674","8.065","0.0002","15.5091","0.0005","7.9152","0.0002","90","","107.286","0.003","90","","945.32","0.05","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 O2 -","- C28 H18 O2 -","- C56 H36 O4 -","2","0.5","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0554","0.051","","","0.1486","0.1533","","","","","","1.071","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038675","20.4806","0.0008","20.4806","0.0008","7.7702","0.0003","90","","90","","90","","3259.2","0.2","130","2","130","2","","","","","","","","3","P 42","P 4c","77","","","","- C40 H44 N2 -","- C40 H44 N2 -","- C160 H176 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.1319","0.1014","","","0.2557","0.3035","","","","","","1.016","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038676","9.5927","0.0004","11.5581","0.0004","27.4017","0.0009","90","","90","","90","","3038.12","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N2 -","- C38 H40 N2 -","- C152 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0744","0.0671","","","0.1843","0.1916","","","","","","1.062","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038677","9.6607","0.0001","11.69","0.0002","13.1805","0.0002","90","","104.823","0.002","90","","1438.98","0.04","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0439","0.0396","","","0.1006","0.1044","","","","","","1.061","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038678","9.4593","0.0004","11.8372","0.0004","30.9935","0.0017","90","","90","","90","","3470.4","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 N2 -","- C44 H48 N2 -","- C176 H192 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.1229","0.0932","","","0.2508","0.2778","","","","","","1.033","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038679","9.7094","0.0006","11.6644","0.001","23.344","0.002","90","","90","","90","","2643.8","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0876","0.064","","","0.1363","0.15","","","","","","1.066","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038680","9.9973","0.0001","11.6194","0.0001","13.9974","0.0002","90","","98.549","0.001","90","","1607.91","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H48 N2 -","- C40 H48 N2 -","- C80 H96 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0426","0.0385","","","0.1073","0.1116","","","","","","1.04","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038681","9.8901","0.0003","11.4265","0.0005","13.5336","0.0005","90","","100.593","0.003","90","","1503.36","0.1","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 -","- C38 H44 N2 -","- C76 H88 N4 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0578","0.0552","","","0.1665","0.1707","","","","","","1.095","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038682","9.8232","0.0003","11.5685","0.0005","24.8431","0.0011","90","","90","","90","","2823.16","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C144 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0972","0.0922","","","0.2667","0.2718","","","","","","1.103","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038683","9.8347","0.0001","11.3818","0.0001","24.1002","0.0002","90","","90","","90","","2697.69","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C144 H144 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0327","0.0319","","","0.0839","0.0847","","","","","","1.039","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038684","10.2971","0.0004","5.3701","0.0002","10.6919","0.0004","90","","94.959","0.002","90","","589.01","0.04","122","2","122","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C26 H28 Cl2 N2 -","2","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0399","0.0335","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","255268","2020-10-21","18:00:00",""
"4038685","25.6686","0.0015","6.3122","0.0004","11.3113","0.0006","90","","115.585","0.004","90","","1653.01","0.18","122","2","122","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Wellhöfer, Isabelle; Beck, Janina; Frydenvang, Karla; Bräse, Stefan; Olsen, Christian A.","Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00780","","","1.54178","CuKα","","0.0468","0.0383","","","0.0871","0.091","","","","","","1.061","","","","has coordinates","255269","2020-10-21","18:00:00",""
"4038686","10.3861","0.0002","11.8749","0.0003","19.6542","0.0005","90","","90","","90","","2424.03","0.1","295.8","0.5","295.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0677","0.0646","","","0.164","0.1702","","","","","","1.052","","","","has coordinates","255270","2020-10-21","18:00:00",""
"4038687","13.6569","0.0006","11.1976","0.0007","17.9855","0.0009","90","","97.29","0.005","90","","2728.2","0.3","292.8","0.9","292.8","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl O2 -","- C35 H27 Cl O2 -","- C140 H108 Cl4 O8 -","4","2","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0959","0.0819","","","0.2432","0.2689","","","","","","1.03","","","","has coordinates","255271","2020-10-21","18:00:00",""
"4038688","13.4137","0.0006","5.9329","0.0002","20.1416","0.0008","90","","90.21","0.004","90","","1602.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N S -","- C20 H17 N S -","- C80 H68 N4 S4 -","4","1","","Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming","Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01363","","","0.71073","MoKα","","0.0604","0.0439","","","0.0992","0.1081","","","","","","1.038","","","","has coordinates","255272","2020-10-21","18:00:00",""
"4038689","28.9068","0.0005","5.7531","0.0001","10.5484","0.0002","90","","98.531","0.002","90","","1734.83","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C84 H76 N4 O4 S4 -","4","1","","Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming","Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01363","","","1.54184","CuKα","","0.0369","0.0363","","","0.1052","0.106","","","","","","1.079","","","","has coordinates","255273","2020-10-21","18:00:00",""
"4038690","18.769","0.003","5.6852","0.0009","29.015","0.004","90","","90","","90","","3096.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H15 N O2 Se -","- C17 H15 N O2 Se -","- C136 H120 N8 O16 Se8 -","8","2","","Chen, Jia-Min; Qi, Lin; Zhang, Linlin; Li, Li-Jun; Hou, Cong-Ying; Li, Wei; Wang, Li-Jing","Copper/DTBP-Promoted Oxyselenation of Propargylic Amines with Diselenides and CO<sub>2</sub>: Synthesis of Selenyl 2-Oxazolidinones.","The Journal of organic chemistry","2020","85","16","10924","10933","10.1021/acs.joc.0c01519","","","0.71073","MoKα","","0.142","0.0428","","","0.0447","0.0565","","","","","","0.867","","","","has coordinates","255876","2020-10-21","18:00:00",""
"4038691","3.8353","0.0001","23.3888","0.0006","16.9879","0.0012","90","","93.51","0.007","90","","1521.01","0.12","123","","123","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C84 H60 N12 O8 -","4","1","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.0341","0.0333","","","0.0936","0.0952","","","","","","0.843","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4038692","7.7745","0.0004","14.5862","0.0007","16.6756","0.0012","90","","90","","90","","1891.02","0.19","163","","163","","","","","","","","","3","P b n b","-P 2bc 2ab","56","","","","- C26 H16 N4 -","- C26 H16 N4 -","- C104 H64 N16 -","4","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1226","0.0625","","","0.1343","0.1764","","","","","","0.971","","","","has coordinates","255298","2020-10-21","18:00:00",""
"4038693","9.8312","0.0012","6.6242","0.0009","12.7222","0.0019","90","","95.267","0.008","90","","825.02","0.19","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H10 Cl N5 O5 -","- C18 H10 Cl N5 O5 -","- C36 H20 Cl2 N10 O10 -","2","0.5","","Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.","Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01428","","","1.54187","CuKα","","0.1521","0.0762","","","0.1589","0.2062","","","","","","0.996","","","","has coordinates,has disorder","255298","2020-10-21","18:00:00",""
"4038694","13.5792","0.0007","10.3124","0.0005","19.7937","0.001","90","","108.203","0.002","90","","2633.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 O2 -","- C37 H24 O2 -","- C148 H96 O8 -","4","1","","Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal","Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01475","","","0.71073","MoKα","","0.0874","0.0499","","","0.1285","0.1657","","","","","","0.949","","","","has coordinates","255327","2020-10-21","18:00:00",""
"4038695","12.7378","0.0006","9.8142","0.0005","22.302","0.0011","90","","98.626","0.002","90","","2756.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Sharma, Abhilash; Hazarika, Hemanta; Sarmah, Manashi; Das, Babulal; Gogoi, Pranjal","Indane-Fused Spiropentadiene Chromanones: A Pd-Catalyzed Spiro-Annulation Followed by Cyclization via C-H Activation Strategy.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01475","","","0.71073","MoKα","","0.0897","0.0661","","","0.1357","0.1518","","","","","","1.019","","","","has coordinates","255328","2020-10-21","18:00:00",""
"4038696","5.6868","0.0002","14.0452","0.001","22.1678","0.0007","90","","96.97","0.003","90","","1757.51","0.15","110.1","0.1","110.1","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O Se -","- C20 H20 Cl N O Se -","- C80 H80 Cl4 N4 O4 Se4 -","4","1","","Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong","Silver-Catalyzed Remote C5-H Selenylation of Indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00921","","x-ray","0.71073","MoKα","","0.0446","0.0348","","","0.0713","0.076","","","","","","1.042","","","","has coordinates","255329","2020-10-21","18:00:00",""
"4038697","12.0693","0.0008","10.9616","0.0008","29.0524","0.0019","90","","90","","90","","3843.6","0.5","146","2","146","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O2 Se -","- C21 H23 N O2 Se -","- C168 H184 N8 O16 Se8 -","8","2","","Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong","Silver-Catalyzed Remote C5-H Selenylation of Indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00921","","x-ray","0.71073","MoKα","","0.0677","0.0471","","","0.082","0.0911","","","","","","1.03","","","","has coordinates","255330","2020-10-21","18:00:00",""
"4038698","9.73271","0.0001","10.62789","0.00015","18.00805","0.00018","90","","90","","90","","1862.72","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C76 H88 Cl4 N4 O12 -","4","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0993","0.1014","","","","","","1.047","","","","has coordinates,has disorder","255491","2020-10-21","18:00:00",""
"4038699","12.55924","0.00006","5.55118","0.00003","13.81508","0.00007","90","","109.467","0.0005","90","","908.106","0.008","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0325","0.0325","","","0.0905","0.0905","","","","","","1.071","","","","has coordinates","255492","2020-10-21","18:00:00",""
"4038700","12.085","0.002","7.2789","0.0015","14.672","0.003","90","","96.83","0.03","90","","1281.5","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 N O3 P -","- C30 H30 N O3 P -","- C60 H60 N2 O6 P2 -","2","1","","Petrovic, Ana G.; Polavarapu, Prasad L.; Łopusiński, Andrzej; Krasowska, Dorota; Wieczorek, Wanda; Szyrej, Małgorzata; Błaszczyk, Jarosław; Drabowicz, Józef","Absolute Configuration and Conformation of (-)-<i>R</i>-<i>t</i>-Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00756","","","0.71073","MoKα","","0.0277","0.0258","","","0.0673","0.0688","","","","","","1.047","","","","has coordinates","255494","2020-10-21","18:00:00",""
"4038701","8.5733","0.0005","30.5985","0.0018","8.2945","0.0005","90","","105.083","0.001","90","","2100.9","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F7 N O3 -","- C22 H18 F7 N O3 -","- C88 H72 F28 N4 O12 -","4","1","","Dorokhov, Valentin; Nelyubina, Yulia; Ioffe, Sema; Sukhorukov, Alexey Yu","Asymmetric Synthesis of Merck's Potent hNK1 Antagonist and Its Stereoisomers via Tandem Acylation/[3,3]-Rearrangement of 1,2-Oxazine-N-oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01322","","","0.71073","MoKα","","0.0911","0.0526","","","0.1056","0.1264","","","","","","1.014","","","","has coordinates,has disorder","255495","2020-10-21","18:00:00",""
"4038702","15.986","0.0007","16.5452","0.0007","16.1942","0.0008","90","","146.786","0.001","90","","2346.2","0.19","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 F N O5 -","- C26 H30 F N O5 -","- C104 H120 F4 N4 O20 -","4","1","","Dorokhov, Valentin; Nelyubina, Yulia; Ioffe, Sema; Sukhorukov, Alexey Yu","Asymmetric Synthesis of Merck's Potent hNK1 Antagonist and Its Stereoisomers via Tandem Acylation/[3,3]-Rearrangement of 1,2-Oxazine-N-oxides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01322","","","0.71073","MoKα","","0.0527","0.0381","","","0.0863","0.0952","","","","","","1.026","","","","has coordinates","255496","2020-10-21","18:00:00",""
"4038703","10.5027","0.0006","7.0136","0.0004","13.6611","0.0008","90","","96.983","0.002","90","","998.84","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.0746","0.0514","","","0.1286","0.1417","","","","","","1.028","","","","has coordinates","255497","2020-10-21","18:00:00",""
"4038704","9.1058","0.0005","9.3616","0.0005","12.5435","0.0006","76.487","0.001","79.631","0.001","80.564","0.001","1014.35","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O9 -","- C22 H20 O9 -","- C44 H40 O18 -","2","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.0929","0.0714","","","0.17","0.1845","","","","","","1.026","","","","has coordinates","255498","2020-10-21","18:00:00",""
"4038705","10.1493","0.0006","6.7882","0.0004","14.1297","0.0008","90","","95.25","0.002","90","","969.39","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","","Zhang, Ke; Zhang, Wen-Zhen; Tao, Xue-Yan; Zhang, Min; Ren, Wei-Min; Lu, Xiao-Bing","Carboxylative Cyclization of 2-Butenoates with Carbon Dioxide: Access to Glutaconic Anhydrides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01717","","","0.71073","MoKα","","0.076","0.0556","","","0.1538","0.168","","","","","","1.021","","","","has coordinates","255499","2020-10-21","18:00:00",""
"4038706","17.7454","0.0002","13.7235","0.0002","21.0126","0.0003","90","","90","","90","","5117.18","0.12","173","1","173","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C248 H224 N16 O24 -","8","2","","Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam","One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01308","","","1.54178","CuKα","","0.0472","0.0398","","","0.0907","0.0955","","","","","","1.037","","","","has coordinates","255557","2020-10-21","18:00:00",""
"4038707","10.2112","0.0003","15.7567","0.0005","17.6793","0.0005","69.215","0.002","74.393","0.002","73.995","0.002","2509.49","0.14","173","","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C124 H112 N8 O12 -","4","2","","Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam","One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01308","","","1.54178","CuKα","","0.0607","0.0412","","","0.0966","0.1073","","","","","","1.014","","","","has coordinates,has disorder","255558","2020-10-21","18:00:00",""
"4038708","8.0569","0.0004","17.1074","0.0009","17.4187","0.0009","117.369","0.005","91.41","0.004","93.755","0.004","2123.5","0.2","120","0.1","120","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C58 H40 -","- C58 H40 -","- C116 H80 -","2","1","","Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Triflic Acid-Promoted Adamantylation and <i>tert</i>-Butylation of Pyrene: Fluorescent Properties of Pyrene-Decorated Adamantanes and a Channeled Crystal Structure of 1,3,5-Tris(pyren-2-yl)adamantane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01060","","x-ray","1.54184","CuKα","","0.0999","0.0811","","","0.1957","0.2067","","","","","","1.032","","","","has coordinates","255559","2020-10-21","18:00:00",""
"4038709","20.84906","0.00018","14.0884","0.00011","38.1251","0.0003","90","","90","","90","","11198.5","0.16","160","0.1","160","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C61 H84 O10 -","- C61 H84 O10 -","- C488 H672 O80 -","8","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1084","0.1165","","","","","","1.052","","","","has coordinates","255560","2020-10-21","18:00:00",""
"4038710","19.4882","0.00008","14.12202","0.00007","28.65569","0.00012","90","","105.565","0.0004","90","","7597.2","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H65 N5 O10 -","- C80 H65 N5 O10 -","- C320 H260 N20 O40 -","4","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","","1.54184","CuKα","","0.0512","0.0464","","","0.1318","0.1388","","","","","","1.056","","","","has coordinates","255561","2020-10-21","18:00:00",""
"4038711","9.0613","0.001","17.674","0.002","20.106","0.002","90","","101.443","0.005","90","","3156","0.6","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N O4 S -","- C37 H39 N O4 S -","- C148 H156 N4 O16 S4 -","4","1","","Wang, Junwei; Rong, Quanjin; Zhao, Lei; Pan, Xiang; Zhao, Lin; Zhao, Kun; Hu, Lihong","Synthesis of 1,4-Dihydroquinolines and 4<i>H</i>-Chromenes via Organocatalytic Domino Aza/Oxa-Michael/1,6-Addition Reactions of <i>para</i>-Quinone Methides and Ynals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01315","","","1.34139","GaKα","","0.077","0.0534","","","0.1333","0.1458","","","","","","1.019","","","","has coordinates","255562","2020-10-21","18:00:00",""
"4038712","16.3776","0.0009","13.3941","0.0006","16.6146","0.0008","90","","92.047","0.005","90","","3642.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl 7-carbamoyl-8-methyl-1,2,3,4,5,7,7a,8,12b,12c-decahydrocyclohepta[5,6] pyridazino[3,4-b]indole-12c-carboxylate","","- C19 H24 N4 O3 -","- C19 H24 N4 O3 -","- C152 H192 N32 O24 -","8","1","","Ciccolini, Cecilia; Mari, Giacomo; Gatti, Francesco G.; Gatti, Giuseppe; Giorgi, Gianluca; Mantellini, Fabio; Favi, Gianfranco","Synthesis of Polycyclic Fused Indoline Scaffolds through a Substrate-Guided Reactivity Switch.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01489","","","0.71073","MoKα","","0.0767","0.05","","","0.1085","0.1272","","","","","","1.014","","","","has coordinates,has disorder","255563","2020-10-21","18:00:00",""
"4038713","13.5467","0.0002","15.2671","0.0003","19.7699","0.0003","107.173","0.002","100.844","0.001","90.31","0.001","3828.64","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H108 I2 N10 Zn2 -","- C84 H108 I2 N10 Zn2 -","- C168 H216 I4 N20 Zn4 -","2","1","","Sahoo, Rajata Kumar; Mahato, Mamata; Jana, Achintya; Nembenna, Sharanappa","Zinc Hydride Catalyzed Hydrofuntionalization of Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01285","","","1.54184","CuKα","","0.1511","0.1297","","","0.3321","0.3376","","","","","","1.697","","","","has coordinates","255610","2020-10-21","18:00:00",""
"4038714","8.8858","0.0004","9.5706","0.0006","23.3142","0.0011","90","","90","","90","","1982.7","0.18","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl F3 N O5 S -","- C18 H15 Cl F3 N O5 S -","- C72 H60 Cl4 F12 N4 O20 S4 -","4","1","","Duan, Hui-Xin; Zhang, Yongna; Zhang, Zhen-Zhen; Wang, You-Qing","C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl Trifluoromethylated Ketimines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01446","","x-ray","1.54184","CuKα","","0.0524","0.0422","","","0.1072","0.1156","","","","","","1.028","","","","has coordinates","255632","2020-10-21","18:00:00",""
"4038716","8.7209","0.0001","8.7209","0.0001","41.8621","0.0006","90","","90","","90","","3183.78","0.07","160","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H19 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","1.54186","CuKα","","0.0295","0.0288","","","0.0971","0.0984","","","","","","0.939","","","","has coordinates","255670","2020-10-21","18:00:00",""
"4038717","5.5006","0.0001","17.2005","0.0002","17.2638","0.0002","90","","90","","90","","1633.38","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0337","0.0271","","","0.0587","0.0617","","","","","","1.033","","","","has coordinates","255671","2020-10-21","18:00:00",""
"4038718","9.2907","0.0002","11.0841","0.0003","14.6284","0.0003","90","","90","","90","","1506.42","0.06","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0608","0.0475","","","0.1004","0.1084","","","","","","1.03","","","","has coordinates","255672","2020-10-21","18:00:00",""
"4038719","15.7398","0.0002","18.1447","0.0002","16.4868","0.0002","90","","108.186","0.002","90","","4473.33","0.11","169.99","0.1","169.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 O5 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0545","0.0484","","","0.13","0.1399","","","","","","1.08","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038720","13.3673","0.0001","25.6","0.0002","16.4937","0.0001","90","","90.467","0.001","90","","5644","0.07","170","0.11","170","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H66 Cl2 N2 O9 -","- C54 H52 N2 O8 -","- C216 H208 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0484","0.0445","","","0.1229","0.126","","","","","","1.046","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038721","13.3833","0.0002","25.691","0.0005","16.512","0.0003","90","","89.7135","0.0016","90","","5677.26","0.17","170","0.14","170","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 N2 O8 -","- C54 H50 N2 O8 -","- C216 H200 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0688","0.0582","","","0.166","0.1785","","","","","","1.054","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038722","13.4532","0.0001","25.5222","0.0002","16.7817","0.0001","90","","90.016","0.001","90","","5762.08","0.07","170","0.11","170","0.11","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 N2 O8 -","- C56 H56 N2 O8 -","- C224 H224 N8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.0689","0.0641","","","0.1711","0.1762","","","","","","1.042","","","","has coordinates","255673","2020-10-21","18:00:00",""
"4038723","13.3525","0.0002","25.8179","0.0004","16.7371","0.0002","90","","90.507","0.001","90","","5769.61","0.14","169.99","0.13","169.99","0.13","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 Br2 O8 -","- C54 H56 Br2 O8 -","- C216 H224 Br8 O32 -","4","0.5","","Li, Jing; Han, Xiao-Ni; Zhou, He-Ye; Han, Ying; Chen, Chuan-Feng","Helic[1]triptycene[3]arene: Synthesis, Complexation and Formation of [2]Rotaxane Shuttle.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01558","","x-ray","1.54184","CuKα","","0.078","0.0676","","","0.2183","0.2311","","","","","","1.073","","","","has coordinates,has disorder","255673","2020-10-21","18:00:00",""
"4038724","15.424","0.0005","9.5366","0.00019","17.1423","0.0005","90","","115.321","0.004","90","","2279.25","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 F O7 -","- C23 H29 F O7 -","- C92 H116 F4 O28 -","4","1","","Ding, Ya-Nan; Shi, Wei-Yu; Liu, Ce; Zheng, Nian; Li, Ming; An, Yang; Zhang, Zhe; Wang, Cui-Tian; Zhang, Bo-Sheng; Liang, Yong-Min","Palladium-Catalyzed ortho-C-H Glycosylation/ipso-Alkenylation of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01392","","x-ray","1.54184","CuKα","","0.0468","0.0439","","","0.1215","0.1261","","","","","","1.082","","","","has coordinates,has disorder","255674","2020-10-21","18:00:00",""
"4038725","18.9995","0.0004","26.206","0.0008","35.374","0.0009","90","","96.956","0.002","90","","17483.1","0.8","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.75 H39.5 Cl3.5 F2 N2 Pd -","- C52.75 H39.5 Cl3.5 F2 N2 Pd -","- C844 H632 Cl56 F32 N32 Pd16 -","16","4","","Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou","""Bulky-Yet-Flexible"" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01509","","x-ray","0.71073","MoKα","","0.097","0.0523","","","0.1028","0.1278","","","","","","1.04","","","","has coordinates","255766","2020-10-21","18:00:00",""
"4038726","12.0249","0.0009","14.3002","0.0004","21.4777","0.0005","96.356","0.002","92.889","0.005","91.174","0.005","3664.6","0.3","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H64 Cl6 N2 Pd -","- C80 H64 Cl6 N2 Pd -","- C160 H128 Cl12 N4 Pd2 -","2","1","","Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou","""Bulky-Yet-Flexible"" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01509","","x-ray","1.54184","CuKα","","0.0951","0.0833","","","0.1504","0.205","","","","","","1.02","","","","has coordinates","255766","2020-10-21","18:00:00",""
"4038727","7.9886","0.0002","9.9248","0.0002","16.34","0.0004","90","","90","","90","","1295.52","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19.44 O3 -","- C15 H19.444 O3 -","- C60 H77.776 O12 -","4","1","","Shao, Hui; Wang, Yun-Peng; Fang, Kun; Zhao, Yu-Ming; Tu, Yong-Qiang","Total Synthesis of Sieboldine A.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01660","","","1.54178","CuKα","","0.0425","0.0408","","","0.1348","0.1372","","","","","","1.241","","","","has coordinates,has disorder","255852","2020-10-21","18:00:00",""
"4038728","12.849","0.0002","11.07235","0.00014","13.347","0.0002","90","","103.715","0.0017","90","","1844.71","0.05","292","1","292","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F0.25 N O6 -","- C21 H18 F2 N2 O3 -","- C84 H72 F8 N8 O12 -","4","1","","Liu, Liang; Yang, De-Yong; He, Yan-Hong; Guan, Zhi","Redox-Neutral Photocatalytic Radical Cascade Cyclization for the Synthesis of CH<sub>2</sub>CN/CF<sub>2</sub>COOEt/CF<sub>3</sub>-Containing Benzo[4,5]imidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-One Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01688","","x-ray","1.54184","CuKα","","0.0445","0.0393","","","0.1038","0.1093","","","","","","1.034","","","","has coordinates,has disorder","255853","2020-10-21","18:00:00",""
"4038729","9.2794","0.0005","9.3445","0.0005","10.356","0.0004","89.2189","0.0018","89.7152","0.0019","82.646","0.002","890.51","0.08","279","2","279","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","2","","Wang, Haofeng; Wu, Xin; Wang, Luyu; Li, Erfei; Li, Xiaoyu; Tong, Tao; Kang, Honglan; Xie, Jian-Wu; Shen, Guodong; Lv, Xin","One-Pot Synthesis of Benzimidazo[2,1-b]thiazoline Derivatives through An Addition/Cyclization/Oxidative Coupling Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01137","","","0.71073","MoKα","","0.0428","0.0376","","","0.1027","0.1081","","","","","","1.018","","","","has coordinates","255854","2020-10-21","18:00:00",""
"4038730","8.1688","0.0003","8.8842","0.0003","20.4503","0.0005","90","","90","","90","","1484.14","0.08","293.73","0.18","293.73","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Dong, Xiaodi; Tang, Zhishun; Ye, Ling; Shi, Zhichuan; Zhao, Zhigang; Li, Xuefeng","Stereoselective Synthesis of Dihydrofuranoindoles via the Friedel-Crafts Alkylation/Annulation Cascade Process.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00444","","x-ray","1.54184","CuKα","","0.0536","0.0505","","","0.1345","0.1402","","","","","","1.029","","","","has coordinates","255903","2020-10-21","18:00:00",""
"4038731","11.6904","0.0002","14.6998","0.0004","11.3235","0.0002","90","","91.493","0.002","90","","1945.24","0.07","230","0.1","230","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H20 N O4 P S -","- C21 H20 N O4 P S -","- C84 H80 N4 O16 P4 S4 -","4","1","","Luo, Wenjun; Wang, Zhenguo; Cao, Xiaohui; Liang, Dacheng; Wei, Mingjie; Yin, Keshu; Li, Le","Construction of Benzo-1,2,3-thiazaphosphole Heterocycles by Annulations of ortho-Phosphinoarenesulfonyl Fluorides with Trimethylsilyl Azide","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01309","","x-ray","0.71073","MoKα","","0.0366","0.0324","","","0.0822","0.0865","","","","","","1.047","","","","has coordinates","255904","2020-10-21","18:00:00",""
"4038732","11.7479","0.0004","13.1447","0.0004","16.1419","0.0006","90","","108.509","0.004","90","","2363.74","0.15","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N5 P -","- C24 H36 N5 P -","- C96 H144 N20 P4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","x-ray","0.71073","MoKα","","0.0672","0.0498","","","0.1147","0.1238","","","","","","1.032","","","","has coordinates","255931","2020-10-21","18:00:00",""
"4038733","7.4743","0.0002","16.7492","0.0003","9.742","0.0002","90","","111.695","0.001","90","","1133.2","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N5 P -","- C23 H34 N5 P -","- C46 H68 N10 P2 -","2","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0373","0.0333","","","0.0767","0.0785","","","","","","1.055","","","","has coordinates","255932","2020-10-21","18:00:00",""
"4038734","26.9636","0.0007","26.9636","0.0007","9.7516","0.0005","90","","90","","90","","7089.8","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C17 H29 N2 P -","- C17 H29 N2 P -","- C272 H464 N32 P16 -","16","2","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0768","0.0461","","","0.1202","0.1324","","","","","","1.028","","","","has coordinates","255933","2020-10-21","18:00:00",""
"4038735","7.0785","0.0006","30.538","0.002","8.6896","0.0008","90","","93.553","0.003","90","","1874.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 N4 P -","- C18 H31 N4 P -","- C72 H124 N16 P4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.065","0.048","","","0.1052","0.1125","","","","","","1.056","","","","has coordinates","255934","2020-10-21","18:00:00",""
"4038736","31.461","0.005","32.311","0.004","7.4331","0.0009","90","","90","","90","","7556","1.8","123","2","123","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H19 N -","- C28 H19 N -","- C448 H304 N16 -","16","2","","Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01622","","","0.71073","MoKα","","0.0789","0.0461","","","0.1033","0.1248","","","","","","1.02","","","","has coordinates,has disorder","256311","2020-10-21","18:00:00",""
"4038737","27.2097","0.001","4.6842","0.0001","18.3065","0.0007","90","","105.415","0.001","90","","2249.33","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 F6 N -","- C30 H17 F6 N -","- C120 H68 F24 N4 -","4","1","","Molenda, Ricardo; Boldt, Sebastian; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of 2-Azapyrenes and Their Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01622","","","0.71073","MoKα","","0.0735","0.0454","","","0.107","0.1215","","","","","","1.016","","","","has coordinates","256312","2020-10-21","18:00:00",""
"4038738","10.7042","0.0001","10.7042","0.0001","30.0297","0.0004","90","","90","","90","","3440.8","0.06","99.8","0.8","99.8","0.8","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1095","0.1125","","","","","","1.089","","","","has coordinates","256313","2020-10-21","18:00:00",""
"4038739","7.7605","0.0001","9.6596","0.0001","11.3533","0.0001","90","","101.556","0.001","90","","833.829","0.016","99.9","0.8","99.9","0.8","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si","Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01407","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0766","0.0768","","","","","","1.05","","","","has coordinates","256314","2020-10-21","18:00:00",""
"4038740","8.406","0.0005","8.466","0.0007","14.6974","0.001","89.549","0.006","77.343","0.005","66.477","0.007","932.01","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 B Br F4 O2 -","- C23 H12 B Br F4 O2 -","- C46 H24 B2 Br2 F8 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","","1.54184","CuKα","","0.0527","0.048","","","0.1347","0.1402","","","","","","1.057","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038741","8.8561","0.0005","9.3777","0.0005","14.1453","0.0005","91.724","0.004","98.862","0.004","116.907","0.006","1028.42","0.11","290.56","0.1","290.56","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 B Br F4 O3 -","- C24 H14 B Br F3.9996 O3 -","- C48 H28 B2 Br2 F7.9992 O6 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0397","0.0347","","","0.0917","0.0959","","","","","","1.034","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038742","12.7765","0.0003","16.0668","0.0006","17.3836","0.0007","77.279","0.004","80.071","0.003","80.432","0.003","3398.1","0.2","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 B Br F4 N2 -","- C29 H26 B Br F4 N2 -","- C116 H104 B4 Br4 F16 N8 -","4","2","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.072","0.0619","","","0.1771","0.1909","","","","","","1.03","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038743","7.7507","0.0004","12.3048","0.0005","13.5177","0.0008","104.972","0.005","95.439","0.004","94.459","0.004","1232.8","0.11","179.95","0.1","179.95","0.1","","","","","","","","8","P 1","P 1","1","","","","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","- C55 H44 B2 Br2 Cl2 F8 N2 O4 -","1","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.5418","CuKα","","0.0694","0.0651","","","0.1789","0.1829","","","","","","1.053","","","","has coordinates,has disorder","257152","2020-10-21","18:00:00",""
"4038744","20.2508","0.0003","4.24318","0.00007","19.0965","0.0003","90","","106.186","0.0017","90","","1575.88","0.04","180.15","","180.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Br O3 -","- C23 H11 Br O3 -","- C92 H44 Br4 O12 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0337","0.03","","","0.0782","0.0817","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038745","8.9485","0.0003","21.3763","0.0005","13.2147","0.0003","90","","99.059","0.003","90","","2496.25","0.12","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Br N O4 -","- C29 H28 Br N O4 -","- C116 H112 Br4 N4 O16 -","4","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","0.71073","MoKα","","0.0845","0.048","","","0.1038","0.1185","","","","","","1.026","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038746","9.9075","0.0007","11.5025","0.0007","12.5629","0.0008","110.42","0.006","95.401","0.005","112.56","0.006","1195.28","0.17","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br Cl2 N O2 -","- C28 H24 Br Cl2 N O2 -","- C56 H48 Br2 Cl4 N2 O4 -","2","1","","Marinova, Maya; Pascal, Simon; Guénée, Laure; Besnard, Céline; Shivachev, Boris; Kostova, Kalina; Villani, Claudio; Franzini, Roberta; Dimitrov, Vladimir; Lacour, Jérôme","Synthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes.","The Journal of organic chemistry","2020","85","18","11908","11923","10.1021/acs.joc.0c01716","","x-ray","1.54184","CuKα","","0.0509","0.0496","","","0.1321","0.1338","","","","","","1.056","","","","has coordinates","257152","2020-10-21","18:00:00",""
"4038747","30.4299","0.0004","8.50556","0.00007","22.1713","0.0003","90","","112.626","0.0016","90","","5296.81","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 N3 O4 S -","- C30 H25 N3 O4 S -","- C240 H200 N24 O32 S8 -","8","1","","Yuan, Wei-Cheng; Quan, Bao-Xue; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang","[4 + 2] Annulation Reaction of <i>In Situ</i> Generated Azoalkenes with Azlactones: Access to 4,5-Dihydropyridazin-3(2<i>H</i>)-Ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01592","","x-ray","1.54184","CuKα","","0.0599","0.0517","","","0.1409","0.1518","","","","","","1.044","","","","has coordinates,has disorder","256316","2020-10-21","18:00:00",""
"4038748","5.422","0.0003","8.6988","0.0005","12.1636","0.0007","90","","94.341","0.004","90","","572.05","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 F2 O2 -","- C5 H6 F2 O2 -","- C20 H24 F8 O8 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0757","0.0468","","","0.0907","0.0994","","","","","","1.194","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038749","5.1598","0.0009","11.2723","0.0017","17.688","0.003","90","","93.058","0.007","90","","1027.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C44 H40 F12 N4 O4 -","4","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0935","0.0516","","","0.114","0.1321","","","","","","1.017","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038750","6.0157","0.0004","7.4732","0.0004","7.6279","0.0004","106.605","0.004","105.053","0.004","91.961","0.004","315.16","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C8 H16 Cl2 F4 N2 -","2","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.0472","0.0401","","","0.1391","0.1447","","","","","","1.012","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038751","8.6036","0.0013","11.7912","0.0019","21.27","0.003","90","","90","","90","","2157.8","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.1215","0.0633","","","0.1364","0.164","","","","","","1.01","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038752","25.037","0.004","26.193","0.004","7.1427","0.0012","90","","90","","90","","4684.1","1.3","296","2","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C208 H208 N16 O64 -","16","1","","Zhang, Sheng; Li, He; Yamamoto, Yoshinori; Bao, Ming","Synthesis of 1H-Indole-2,3-dicarboxylates via Rhodium-catalyzed C-H Annulation of Arylhydrazines with Maleates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01727","","","0.71073","MoKα","","0.0603","0.0443","","","0.0924","0.0998","","","","","","1.034","","","","has coordinates","256367","2020-10-21","18:00:00",""
"4038753","7.3094","0.0003","11.286","0.0005","18.0876","0.0008","90","","90","","90","","1492.12","0.11","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C52 H36 F4 N8 O8 S4 -","4","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.1037","0.0599","","","0.1873","0.229","","","","","","0.853","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038754","19.2656","0.0016","33.47","0.003","7.2379","0.0006","90","","90","","90","","4667.1","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C208 H144 F16 N32 O32 S16 -","16","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.0455","0.0363","","","0.0835","0.0876","","","","","","1.06","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038755","13.453","0.003","4.8445","0.0013","19.075","0.005","90","","99.076","0.005","90","","1227.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 Br N2 S -","- C14 H7 Br N2 S -","- C56 H28 Br4 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0763","0.0361","","","0.0783","0.0943","","","","","","1.052","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038756","12.0548","0.0017","10.6734","0.0015","13.4266","0.0019","90","","97.826","0.003","90","","1711.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 S -","- C22 H12 N2 S -","- C88 H48 N8 S4 -","4","1","","Sodre, Elaine R.; Guido, Bruna C.; de Souza, Paulo E. N.; Machado, Daniel F. S.; Carvalho-Silva, Valter H; Chaker, Juliano A.; Gatto, Claudia C.; Correa, Jose R.; Fernandes, Talita de A; Neto, Brenno A. D.","Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.","The Journal of organic chemistry","2020","85","19","12614","12634","10.1021/acs.joc.0c01805","","","0.71073","MoKα","","0.0794","0.0448","","","0.1027","0.1235","","","","","","1.022","","","","has coordinates","257129","2020-10-21","18:00:00",""
"4038757","6.8494","0.0004","10.5416","0.0007","11.8942","0.0008","78.408","0.002","89.07","0.002","86.152","0.002","839.39","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Br F N O2 -","- C18 H17 Br F N O2 -","- C36 H34 Br2 F2 N2 O4 -","2","1","","Zhang, Lili; Deng, Kezuan; Wu, Gaorong; Yang, Jinyue; Tang, Shibiao; Fu, Xiaopan; Xia, Chengcai; Ji, Yafei","Ruthenium(II)-Catalyzed α-Fluoroalkenylation of Oxime Ethers with <i>gem</i>-Difluorostyrenes <i>via</i> C-H Activation and C-F Cleavage.","The Journal of organic chemistry","2020","85","19","12670","12681","10.1021/acs.joc.0c01842","","","0.71073","MoKα","","0.0396","0.0317","","","0.0855","0.0905","","","","","","1.039","","","","has coordinates","257139","2020-10-21","18:00:00",""
"4038758","31.5424","0.0007","8.3838","0.0002","11.996","0.0003","90","","90","","90","","3172.28","0.13","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H68 O8 Rh2 -","- C78 H68 O8 Rh2 -","- C156 H136 O16 Rh4 -","2","0.5","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","","1.54178","CuKα","","0.0482","0.0389","","","0.0802","0.0866","","","","","","1.065","","","","has coordinates,has disorder","256465","2020-10-21","18:00:00",""
"4038759","9.896","0.0002","21.172","0.0004","14.8082","0.0003","90","","100.901","0.002","90","","3046.6","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H64 N4 O8 Rh2 -","- C72 H64 N4 O8 Rh2 -","- C144 H128 N8 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0197","0.0192","","","0.0488","0.049","","","","","","1.029","","","","has coordinates","256466","2020-10-21","18:00:00",""
"4038760","16.21","0.0004","19.2876","0.0004","25.619","0.0006","90","","90","","90","","8009.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H71 Br8 N O8 Rh2 -","- C87 H71 Br8 N O8 Rh2 -","- C348 H284 Br32 N4 O32 Rh8 -","4","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0582","0.0418","","","0.0829","0.089","","","","","","1.0386","","","","has coordinates","256467","2020-10-21","18:00:00",""
"4038761","9.8716","0.0008","18.221","0.003","18.301","0.002","90","","91.066","0.01","90","","3291.2","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H58 N2 O8 Rh2 -","- C68 H58 N2 O8 Rh2 -","- C136 H116 N4 O16 Rh4 -","2","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","1.54184","CuKα","","0.1024","0.0689","","","0.1717","0.189","","","","","","1.0319","","","","has coordinates","256468","2020-10-21","18:00:00",""
"4038762","13.7554","0.0019","7.8485","0.0007","18.5","0.003","90","","110.617","0.017","90","","1869.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O2 S2 -","- C23 H15 N O2 S2 -","- C92 H60 N4 O8 S8 -","4","1","","Chen, Xia; Zhang, Lianpeng; Wang, Yuzhe; Qiu, Guanyinsheng; Liang, Qinghui; Zhou, Hongwei","Copper-Catalyzed Tandem Radical Cyclization of 8-Ethynyl-1-naphthyl-amines for the Synthesis of 2<i>H</i>-Benzo[<i>e</i>][1,2]thiazine 1,1-Dioxides and its Fluorescence Properties.","The Journal of organic chemistry","2020","85","19","12526","12534","10.1021/acs.joc.0c01725","","x-ray","0.71073","MoKα","","0.1082","0.0772","","","0.2327","0.2639","","","","","","1.041","","","","has coordinates","257140","2020-10-21","18:00:00",""
"4038763","20.058","0.004","14.261","0.003","6.1046","0.001","90","","91.741","0.012","90","","1745.4","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F O3 -","- C20 H21 F O3 -","- C80 H84 F4 O12 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","x-ray","1.54178","CuKα","","0.1192","0.0618","","","0.1216","0.1416","","","","","","1.033","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038764","5.942","0.0006","26.684","0.003","9.9612","0.0011","90","","104.342","0.011","90","","1530.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang","Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.","The Journal of organic chemistry","2020","85","19","12408","12417","10.1021/acs.joc.0c01643","","","0.71073","MoKα","","0.0951","0.0555","","","0.1125","0.1343","","","","","","1.053","","","","has coordinates","257145","2020-10-21","18:00:00",""
"4038765","10.906","0.0006","13.6614","0.0007","16.6806","0.0009","90","","90","","90","","2485.3","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","O-4-Chloro-2-(((4-methylphenyl)sulfonamido)(phenyl)methyl)phenyl N,N-diethylcarbamate","","- C25 H27 Cl N2 O4 S -","- C25 H27 Cl N2 O4 S -","- C100 H108 Cl4 N8 O16 S4 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0496","0.0392","","","0.0807","0.0864","","","","","","1.098","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038766","8.596","0.003","10.656","0.004","11.508","0.004","107.17","0.004","97.829","0.004","103.488","0.004","955.2","0.6","298","2","298","","","","","","","","","5","P -1","-P 1","2","","O-4-Methoxy-2-(phenylcarbamothioyl)phenyl N,N-diethylcarbamate","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C38 H44 N4 O6 S2 -","2","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0534","0.0453","","","0.127","0.1336","","","","","","1.054","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038767","13.8795","0.0016","11.3828","0.0013","23.518","0.003","90","","90","","90","","3715.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","O-4-Chloro-2-((3-chlorophenyl)carbamoyl)phenyl N,N-diethylcarbamate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C144 H144 Cl16 N16 O24 -","8","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0627","0.0416","","","0.1067","0.1207","","","","","","1.022","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038768","9.495","0.007","15.333","0.011","14.547","0.01","90","","100.886","0.012","90","","2080","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-((2-hydroxyphenyl)(phenyl)methyl)-3-phenylurea","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0869","0.0499","","","0.101","0.1104","","","","","","0.955","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038769","12.1225","0.0006","12.8572","0.0006","15.2915","0.0008","90","","92.451","0.002","90","","2381.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","o-(E)-4-Chloro-2-(N,N'-di-p-tolylcarbamimidoyl)phenyl N,N-diethylcarbamate (","","- C26 H28 Cl N3 O2 -","- C26 H28 Cl N3 O2 -","- C104 H112 Cl4 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0448","0.0383","","","0.0829","0.0875","","","","","","1.084","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038770","10.4657","0.0018","15.208","0.003","19.367","0.004","90","","100.511","0.009","90","","3030.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-diethyl-3-(1-(2-hydroxyphenyl)-2-methylprop-1-en-1-yl)urea","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C120 H176 N16 O16 -","8","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0509","0.0435","","","0.0995","0.1044","","","","","","1.093","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038771","8.066","0.002","15.096","0.004","14.762","0.003","90","","104.125","0.016","90","","1743.1","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","O-(E)-N-(Diethylcarbamoyl)-2-hydroxy-N,N'-diisopropylbenzimidamide","","- C18 H29 N3 O2 -","- C18 H29 N3 O2 -","- C72 H116 N12 O8 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0706","0.0532","","","0.122","0.1364","","","","","","1.069","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038772","9.244","0.0006","12.1783","0.0008","16.9973","0.0011","88.74","0.004","82.005","0.004","79.455","0.004","1862.9","0.2","283","2","283","2","","","","","","","","7","P -1","-P 1","2","","O-4-Chloro-2-((2-fluorophenyl)carbamothioyl)phenyl N,N-diethylcarbamate","","- C18 H17 Cl F N2 O2 S -","- C18 H17.3415 Cl F0.9885 N2 O2 S -","- C72 H69.366 Cl4 F3.954 N8 O8 S4 -","4","2","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.1003","0.0599","","","0.1043","0.1202","","","","","","1.08","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038773","9.5051","0.0018","8.8409","0.0018","20.79","0.004","90","","90.242","0.003","90","","1747","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N3 O7 -","- C14 H25 N3 O7 -","- C56 H100 N12 O28 -","4","2","","Richaud, Alexis D.; Roche, Stéphane P","Structure-Property Relationship Study of <i>N</i>-(Hydroxy)Peptides for the Design of Self-Assembled Parallel β-Sheets.","The Journal of organic chemistry","2020","85","19","12329","12342","10.1021/acs.joc.0c01441","","x-ray","0.41328","synchrotron","","0.1055","0.0689","","","0.1604","0.1873","","","","","","1.009","","","","has coordinates","257134","2020-10-21","18:00:00",""
"4038774","6.5847","0.0007","8.4285","0.0009","9.4274","0.0011","89.0396","0.0017","72.6274","0.0016","80.7426","0.0017","492.57","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C22 H24 N4 S2 -","2","1","","Geng, Xinyu; Liu, Siyuan; Wang, Wenyao; Qu, Jingping; Wang, Baomin","<i>tert</i>-Amino Effect-Promoted Rearrangement of Aryl Isothiocyanate: A Versatile Approach to Benzimidazothiazepines and Benzimidazothioethers.","The Journal of organic chemistry","2020","85","19","12635","12643","10.1021/acs.joc.0c01806","","","0.71073","MoKα","","0.0342","0.0303","","","0.0791","0.0815","","","","","","1.002","","","","has coordinates","257136","2020-10-21","18:00:00",""
"4038775","8.1574","0.0004","13.7272","0.0006","20.3329","0.0011","90","","90","","90","","2276.84","0.19","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Chen, Shu-Rong; Wang, Shih-Wei; Sheu, Jyh-Horng; Chang, Ting-Hsuan; Cheng, Yuan-Bin","Zoanthamine Alkaloid Derivatives from the Zoantharian <i>Zoanthus vietnamensis</i> with Antimetastatic Activity.","The Journal of organic chemistry","2020","85","19","12553","12560","10.1021/acs.joc.0c01731","","","1.54178","CuKα","","0.1192","0.0714","","","0.1704","0.221","","","","","","0.917","","","","has coordinates","257141","2020-10-21","18:00:00",""
"4038776","8.9799","0.0006","10.3963","0.0007","15.1711","0.001","96.679","0.002","97.41","0.002","106.252","0.002","1331","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0695","0.0555","","","0.1523","0.1631","","","","","","1.028","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038777","14.3741","0.0017","11.5458","0.001","17.6215","0.0017","90","","97.324","0.004","90","","2900.6","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O5 S -","- C36 H28 N2 O5 S -","- C144 H112 N8 O20 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1292","0.1042","","","0.2682","0.2864","","","","","","1.097","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038778","8.9949","0.0007","12.2989","0.001","12.9055","0.0011","63.957","0.003","71.155","0.003","75.637","0.003","1204.46","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O4 S -","- C24 H18 N2 O4 S -","- C48 H36 N4 O8 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0824","0.0487","","","0.1143","0.1264","","","","","","1.044","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038779","14.2296","0.0008","8.9965","0.0005","20.0891","0.0012","90","","96.003","0.002","90","","2557.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O4 S -","- C25 H20 N2 O4 S -","- C100 H80 N8 O16 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1125","0.0565","","","0.1239","0.1448","","","","","","1.031","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038780","10.1008","0.0016","11.3688","0.0018","11.6597","0.0019","82.638","0.005","64.947","0.004","81.864","0.005","1197.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C56 H40 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0765","0.0645","","","0.1754","0.1802","","","","","","1.049","","","","has coordinates,has disorder","257146","2020-10-21","18:00:00",""
"4038781","10.2791","0.0013","11.3288","0.0014","11.7187","0.0015","90.027","0.004","114.297","0.004","94.437","0.004","1239.3","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl N2 O6 S -","- C28 H19 Cl N2 O6 S -","- C56 H38 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0596","0.0457","","","0.1138","0.1218","","","","","","1.024","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038782","11.444","0.0019","11.462","0.002","12.299","0.002","88.192","0.005","63.357","0.005","73.396","0.005","1373","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O6 S -","- C32 H28 N2 O6 S -","- C64 H56 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1141","0.0652","","","0.1495","0.1733","","","","","","1.021","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038783","8.426","0.0007","11.0834","0.0009","15.3702","0.0012","91.376","0.003","96.474","0.003","102.111","0.003","1392.8","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Cl N2 O6 S -","- C32 H27 Cl N2 O6 S -","- C64 H54 Cl2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1209","0.0563","","","0.105","0.1261","","","","","","1.022","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038784","8.3862","0.0003","11.0478","0.0004","15.4388","0.0006","91.9752","0.0011","96.6881","0.0012","102.411","0.0012","1384.85","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 F N2 O6 S -","- C32 H27 F N2 O6 S -","- C64 H54 F2 N4 O12 S2 -","2","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.0593","0.0468","","","0.12","0.128","","","","","","1.032","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038785","8.3197","0.0003","18.7648","0.0008","19.0758","0.001","90","","95.6621","0.0016","90","","2963.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O6 S -","- C36 H28 N2 O6 S -","- C144 H112 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.1295","0.071","","","0.1268","0.1615","","","","","","1.009","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038786","15.1594","0.0009","13.7549","0.0008","14.4974","0.0008","90","","90","","90","","3022.9","0.3","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H25 F N2 O6 S -","- C35 H25 F N2 O6 S -","- C140 H100 F4 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.09","0.045","","","0.0772","0.0882","","","","","","1.034","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038787","11.62377","0.00013","11.62379","0.00012","19.3359","0.0002","90","","90","","90","","2612.52","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1H-indol-2-yl)-2-phenylethan-1-amine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Aksenov, Alexander V.; Griaznov, Georgii D.; Rubin, Michael","Synthesis of 2-(1<i>H</i>-Indol-2-yl)acetamides via Brønsted Acid-Assisted Cyclization Cascade.","The Journal of organic chemistry","2020","85","19","12128","12146","10.1021/acs.joc.0c01344","","x-ray","1.54184","CuKα","","0.0466","0.043","","","0.1306","0.1349","","","","","","1.046","","","","has coordinates,has disorder","257147","2020-10-21","18:00:00",""
"4038788","10.246","0.003","21.331","0.005","12.725","0.002","90","","113.59","0.008","90","","2548.7","1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O9 P2 -","- C22 H32 N2 O9 P2 -","- C88 H128 N8 O36 P8 -","4","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.1398","0.064","","","0.1225","0.155","","","","","","1.028","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038789","22.428","0.005","8.079","0.002","10.933","0.003","90","","101.949","0.008","90","","1938.1","0.8","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 O8 P2 -","- C17 H22 O8 P2 -","- C68 H88 O32 P8 -","4","0.5","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0845","0.0486","","","0.1067","0.1253","","","","","","1.034","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038790","13.6","0.0004","7.1637","0.0002","29.5605","0.001","90","","90","","90","","2879.97","0.15","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 O4 P -","- C16 H15 O4 P -","- C128 H120 O32 P8 -","8","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0606","0.0396","","","0.0876","0.0997","","","","","","1.061","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038791","23.9795","0.0003","23.9795","0.0003","13.6928","0.0002","90","","90","","90","","7873.58","0.18","99.98","0.1","99.98","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H28 Br N O6 S -","- C39 H28 Br N O6 S -","- C312 H224 Br8 N8 O48 S8 -","8","1","","Yan, Juzhang; Li, Xiaoping; Chen, Yuzhen; Li, Ying; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Organocatalytic 1,4-Addition of Azadienes with 3-Homoacyl Coumarins toward Highly Enantioenriched Benzofuran Coumarin Skeletons.","The Journal of organic chemistry","2020","85","19","12175","12186","10.1021/acs.joc.0c01379","","x-ray","1.54184","CuKα","","0.1017","0.0884","","","0.2383","0.2515","","","","","","1.051","","","","has coordinates","257142","2020-10-21","18:00:00",""
"4038792","7.073","0.0007","8.1167","0.0007","8.7016","0.0009","86.895","0.007","81.037","0.008","71.308","0.008","467.42","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Wang, Jian; Li, Jiang-Hua; Guo, Yidong; Dong, Hongbo; Liu, Qiang; Yu, Xiao-Qi","TEMPO-Mediated C-H Amination of Benzoxazoles with N-Heterocycles.","The Journal of organic chemistry","2020","85","19","12797","12803","10.1021/acs.joc.0c01921","","x-ray","1.54184","CuKα","","0.0607","0.0594","","","0.1536","0.1553","","","","","","1.082","","","","has coordinates","257149","2020-10-21","18:00:00",""
"4038793","9.5514","0.0013","10.8418","0.0015","18.966","0.003","90","","102.372","0.005","90","","1918.4","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H44 N4 O -","- C47 H44 N4 O -","- C94 H88 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0377","0.0368","","","0.1009","0.1019","","","","","","1.042","","","","has coordinates,has disorder","257150","2020-10-21","18:00:00",""
"4038794","12.5152","0.0011","8.1909","0.0007","18.3478","0.0016","90","","109.467","0.002","90","","1773.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H48 N4 O -","- C41 H48 N4 O -","- C82 H96 N8 O2 -","2","1","","Selby, Joshua; Holzapfel, Marco; Lombe, Blaise Kimbadi; Schmidt, David; Krause, Ana-Maria; Würthner, Frank; Bringmann, Gerhard; Lambert, Christoph","Chiroptical Properties of Indolenine Squaraines with a Stereogenic Center at Close Proximity.","The Journal of organic chemistry","2020","85","19","12227","12242","10.1021/acs.joc.0c01422","","","1.54178","CuKα","","0.0397","0.0392","","","0.1034","0.1041","","","","","","1.03","","","","has coordinates","257150","2020-10-21","18:00:00",""
"4038795","7.13243","0.00007","12.32391","0.00016","29.4905","0.0003","90","","90","","90","","2592.2","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F3 N2 O7 -","- C20 H21 F3 N2 O7 -","- C80 H84 F12 N8 O28 -","4","1","","Li, Luyao; Yang, Tianxiao; Zhang, Tao; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Tandem Cyclization/Michael Addition via Oxazol-5(2<i>H</i>)-One Formation: Access to Perfluoroalkyl-Containing <i>N</i>,<i>O</i>-Acetal Derivatives.","The Journal of organic chemistry","2020","85","19","12294","12303","10.1021/acs.joc.0c01545","","x-ray","1.54184","CuKα","","0.0444","0.0428","","","0.1187","0.1207","","","","","","1.035","","","","has coordinates,has disorder","257125","2020-10-21","18:00:00",""
"4038796","8.4921","0.0011","11.0952","0.0014","8.7511","0.0011","90","","118.324","0.002","90","","725.83","0.16","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O S2 -","- C15 H18 O S2 -","- C30 H36 O2 S4 -","2","1","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.0284","0.0277","","","0.0714","0.0721","","","","","","1.067","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038797","11.774","0.003","6.7993","0.0016","13.767","0.003","90","","101.189","0.004","90","","1081.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(but-3-en-2-yl)-1,3-dithiane-2-carboxylic acid","","- C9 H14 O2 S2 -","- C9 H14 O2 S2 -","- C36 H56 O8 S8 -","4","2","","Wang, Panpan; Jiang, Qian; Zhao, Ruibo; Xie, Xingang; Tang, Shouchu; Wang, Xiaolei","Enantioselective α-Functionalization of 1,3-Dithianes by Iridium-Catalyzed Allylic Substitution.","The Journal of organic chemistry","2020","85","19","12456","12467","10.1021/acs.joc.0c01683","","","0.71073","MoKα","","0.055","0.053","","","0.1531","0.1561","","","","","","1.001","","","","has coordinates","257137","2020-10-21","18:00:00",""
"4038798","12.959","0.004","15.165","0.003","29.378","0.007","75.8","0.03","86.69","0.02","86.896","0.01","5583","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128.25 H170.25 Cl6.75 O6 -","- C128.25 H170.25 Cl6.75 O6 -","- C256.5 H340.5 Cl13.5 O12 -","2","1","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.1598","0.1007","","","0.2737","0.3254","","","","","","1.042","","","","has coordinates,has disorder","257138","2020-10-21","18:00:00",""
"4038799","12.338","0.002","15.813","0.003","15.886","0.0006","62.331","0.011","80.881","0.01","68.02","0.03","2545","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","- C112 H136 Cl12 O6 -","1","0.5","","Iuliano, Veronica; Talotta, Carmen; Gaeta, Carmine; Hickey, Neal; Geremia, Silvano; Vatsouro, Ivan; Kovalev, Vladimir; Neri, Placido","Influence of <i>exo</i>-Adamantyl Groups and <i>endo</i>-OH Functions on the Threading of Calix[6]arene Macrocycle.","The Journal of organic chemistry","2020","85","19","12585","12593","10.1021/acs.joc.0c01769","","x-ray","0.7","Synchrotron","","0.0436","0.042","","","0.1192","0.1208","","","","","","1.038","","","","has coordinates","257138","2020-10-21","18:00:00",""
"4038800","12.124","0.0011","21.984","0.002","16.7347","0.0015","90","","96.781","0.01","90","","4429.2","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N4 -","- C56 H48 N4 -","- C224 H192 N16 -","4","1","","Rakshit, Amitava; Kumar, Prashant; Alam, Tipu; Dhara, Hirendranath; Patel, Bhisma K.","Visible-Light-Accelerated Pd-Catalyzed Cascade Addition/Cyclization of Arylboronic Acids to γ- and β-Ketodinitriles for the Construction of 3-Cyanopyridines and 3-Cyanopyrrole Analogues.","The Journal of organic chemistry","2020","85","19","12482","12504","10.1021/acs.joc.0c01703","","","0.71073","MoKα","","0.2487","0.0772","","","0.1521","0.2415","","","","","","0.941","","","","has coordinates","257143","2020-10-21","18:00:00",""
"4038801","13.6616","0.0002","9.18547","0.00012","17.0339","0.0003","90","","112.93","0.002","90","","1968.65","0.06","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O2 S -","- C21 H20 Br N O2 S -","- C84 H80 Br4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0469","0.0444","","","0.1521","0.1567","","","","","","1.265","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038802","17.59534","0.00017","10.30762","0.00009","22.2729","0.0002","90","","106.229","0.001","90","","3878.58","0.06","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","11111","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C184 H152 N8 O24 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0385","0.0372","","","0.0986","0.0998","","","","","","1.047","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038803","21.6005","0.0007","9.3977","0.0003","18.9366","0.0007","90","","90","","90","","3844","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H40 N2 O4 S2 -","- C42 H42 N2 O4 S2 -","- C168 H168 N8 O16 S8 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","","1.54178","CuKα","","0.1025","0.0898","","","0.2087","0.2227","","","","","","1.457","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038804","9.6034","0.0002","10.0317","0.0002","12.4075","0.0002","99.201","0.002","111.404","0.002","102.937","0.002","1045.48","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C48 H34 N2 O6 S2 -","2","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","1.54184","CuKα","","0.0497","0.0439","","","0.1114","0.1219","","","","","","1.084","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038805","15.6423","0.0011","16.3109","0.0011","8.6514","0.0005","90","","101.62","0.007","90","","2162.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1011","0.0654","","","0.1735","0.237","","","","","","1.455","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038806","13.6766","0.0014","12.8566","0.0013","11.474","0.0011","90","","90","","90","","2017.5","0.3","293","2","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H18 F N O2 S -","- C25 H18 F N O2 S -","- C100 H72 F4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.0883","0.0552","","","0.1235","0.1549","","","","","","1.083","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038807","27.805","0.004","10.095","0.002","15.272","0.003","90","","96.621","0.017","90","","4258.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22 Cl N O2 S -","- C22.5 H22 Cl N O2 S -","- C180 H176 Cl8 N8 O16 S8 -","8","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.1701","0.0735","","","0.1772","0.2584","","","","","","1.031","","","","has coordinates,has disorder","257144","2020-10-21","18:00:00",""
"4038808","10.92844","0.00007","12.69071","0.00008","18.62518","0.00009","105.902","0.0005","94.5863","0.0005","113.405","0.0006","2227.08","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H71 Cl2 O3 P2 Rh -","- C45 H71 Cl2 O3 P2 Rh -","- C90 H142 Cl4 O6 P4 Rh2 -","2","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0303","0.0301","","","0.1219","0.1225","","","","","","1.171","","","","has coordinates","256593","2020-10-21","18:00:00",""
"4038809","13.14401","0.00004","24.0935","0.00007","14.52671","0.00004","90","","95.1545","0.0003","90","","4581.79","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H81.54 Au Cl O2 P2 -","- C48 H81.542 Au Cl O2 P2 -","- C192 H326.168 Au4 Cl4 O8 P8 -","4","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0245","0.0244","","","0.0621","0.0622","","","","","","1.146","","","","has coordinates,has disorder","256594","2020-10-21","18:00:00",""
"4038810","10.22661","0.00016","10.50804","0.00018","18.1253","0.0003","86.2203","0.0014","86.1003","0.0013","79.6142","0.0014","1908.57","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H132 Au2 Cl2 O P4 -","- C80 H132 Au2 Cl2 O P4 -","- C80 H132 Au2 Cl2 O P4 -","1","0.5","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0225","0.0217","","","0.0554","0.0558","","","","","","1.103","","","","has coordinates,has disorder","256595","2020-10-21","18:00:00",""
"4038811","9.3707","0.0002","9.9337","0.0002","10.031","0.0002","90.2806","0.0017","93.674","0.002","93.3011","0.0019","930.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H68 P2 -","- C44 H68 P2 -","- C44 H68 P2 -","1","0.5","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0343","0.0327","","","0.0827","0.0839","","","","","","1.062","","","","has coordinates","256596","2020-10-21","18:00:00",""
"4038812","10.29035","0.00011","20.32473","0.00018","16.76223","0.00015","90","","100.361","0.0009","90","","3448.63","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 P2 -","- C38 H62 P2 -","- C152 H248 P8 -","4","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0412","0.037","","","0.0947","0.0975","","","","","","1.046","","","","has coordinates,has disorder","256597","2020-10-21","18:00:00",""
"4038813","10.1846","0.0003","10.2395","0.0003","18.2242","0.0005","87.933","0.002","86.219","0.002","69.477","0.002","1775.85","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H66 P2 -","- C40 H66 P2 -","- C80 H132 P4 -","2","1","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","","1.54184","CuKα","","0.0324","0.0322","","","0.0845","0.0847","","","","","","1.018","","","","has coordinates","256598","2020-10-21","18:00:00",""
"4038814","8.7772","0.0001","14.3162","0.0002","17.4904","0.0003","90","","97.518","0.001","90","","2178.88","0.05","100","2","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N -","- C14 H15 N -","- C112 H120 N8 -","8","2","","Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria","Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01771","","x-ray","1.54184","CuKα","","0.0522","0.0476","","","0.1191","0.1223","","","","","","1.052","","","","has coordinates","256599","2020-10-21","18:00:00",""
"4038815","15.456","0.002","7.0443","0.0011","16.266","0.003","90","","91.746","0.004","90","","1770.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B F4 N O -","- C19 H20 B F4 N O -","- C76 H80 B4 F16 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.089","0.0514","","","0.1117","0.1321","","","","","","1.025","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038816","9.2376","0.0007","16.4663","0.0013","23.0599","0.0018","101.102","0.002","91.828","0.002","103.786","0.002","3331.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N O -","- C18 H18 B F4 N O -","- C144 H144 B8 F32 N8 O8 -","8","4","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1314","0.0578","","","0.1348","0.1662","","","","","","0.957","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038817","12.0267","0.0004","8.0762","0.0003","19.1306","0.0005","90","","96.044","0.003","90","","1847.83","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 B F4 N -","- C22 H20 B F4 N -","- C88 H80 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","1.54184","CuKα","","0.0891","0.0821","","","0.2002","0.205","","","","","","1.074","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038818","12.1916","0.0006","9.9536","0.0005","14.3268","0.0007","90","","100.697","0.001","90","","1708.35","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F4 N2 -","- C18 H21 B F4 N2 -","- C72 H84 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0611","0.0386","","","0.0896","0.1026","","","","","","1.028","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038819","8.3874","0.0006","12.2927","0.0009","15.2185","0.0011","90","","99.854","0.002","90","","1545.94","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F4 N -","- C19 H14 B F4 N -","- C76 H56 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0528","0.043","","","0.112","0.1193","","","","","","1.075","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038820","6.165","0.003","17.073","0.009","12.098","0.007","90","","90","","90","","1273.4","1.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1217","0.0607","","","0.1154","0.1414","","","","","","1.011","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038821","9.4054","0.0014","14.334","0.002","9.7907","0.0015","90","","91.688","0.004","90","","1319.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.0876","0.0449","","","0.0892","0.1046","","","","","","1.01","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038822","14.3987","0.0004","13.0464","0.0004","12.6405","0.0004","90","","99.152","0.003","90","","2344.3","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 B2 F8 N2 O -","- C26 H20 B2 F8 N2 O -","- C104 H80 B8 F32 N8 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","x-ray","1.54184","CuKα","","0.0734","0.0598","","","0.1696","0.1797","","","","","","1.081","","","","has coordinates,has disorder","257131","2020-10-21","18:00:00",""
"4038823","8.0529","0.0004","8.1749","0.0005","22.1907","0.0012","90","","90","","90","","1460.85","0.14","149.97","0.1","149.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0423","0.0364","","","0.0811","0.0841","","","","","","1.061","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038824","13.0463","0.001","12.6415","0.0009","22.773","0.002","90","","105.273","0.009","90","","3623.2","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","2","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0693","0.0485","","","0.1043","0.1165","","","","","","1.046","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038825","11.3043","0.0004","11.6698","0.0004","13.0106","0.0004","93.163","0.002","100.157","0.002","107.529","0.002","1600.24","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H28 N6 O2 -","- C40 H28 N6 O2 -","- C80 H56 N12 O4 -","2","1","","Tasior, Mariusz; Vakuliuk, Olena; Koga, Daiki; Koszarna, Beata; Górski, Krzysztof; Grzybowski, Marek; Kielesiński, Łukasz; Krzeszewski, Maciej; Gryko, Daniel T.","Method for the Large-Scale Synthesis of Multifunctional 1,4-Dihydro-pyrrolo[3,2-<i>b</i>]pyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01665","","","1.54178","CuKα","","0.0812","0.044","","","0.1251","0.1477","","","","","","1.039","","","","has coordinates","256629","2020-10-21","18:00:00",""
"4038826","6.0701","0.0001","25.7968","0.0006","10.8547","0.0003","90","","97.551","0.002","90","","1684.99","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 F12 N2 -","- C42 H30 F12 N2 -","- C84 H60 F24 N4 -","2","0.5","","Tasior, Mariusz; Vakuliuk, Olena; Koga, Daiki; Koszarna, Beata; Górski, Krzysztof; Grzybowski, Marek; Kielesiński, Łukasz; Krzeszewski, Maciej; Gryko, Daniel T.","Method for the Large-Scale Synthesis of Multifunctional 1,4-Dihydro-pyrrolo[3,2-<i>b</i>]pyrroles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01665","","","1.54184","CuKα","","0.0421","0.0349","","","0.0911","0.0971","","","","","","1.021","","","","has coordinates","256630","2020-10-21","18:00:00",""
"4038827","22.445","0.003","10.5768","0.0013","8.1673","0.001","90","","92.685","0.005","90","","1936.8","0.4","200","2","199.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N3 -","- C22 H27 N3 -","- C88 H108 N12 -","4","0.5","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.0911","0.0588","","","0.158","0.1778","","","","","","1.031","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038828","8.9279","0.001","12.3384","0.0013","13.3669","0.0014","66.588","0.003","81.982","0.003","72.54","0.003","1288.6","0.2","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H39 N3 -","- C28 H39 N3 -","- C56 H78 N6 -","2","1","","Zhang, Zengyu; Huang, Shiqing; Huang, Linwei; Xu, Xingyu; Zhao, Hongyan; Yan, Xiaoyu","Synthesis of Mesoionic N-Heterocyclic Olefins and Catalytic Application for Hydroboration Reactions.","The Journal of organic chemistry","2020","85","19","12036","12043","10.1021/acs.joc.0c00257","","","0.71073","MoKα","","0.1121","0.0666","","","0.1538","0.1768","","","","","","1.026","","","","has coordinates","257130","2020-10-21","18:00:00",""
"4038829","9.851","0.0003","11.5233","0.0003","17.2368","0.0004","90","","90","","90","","1956.65","0.09","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0288","0.0276","","","0.072","0.0724","","","","","","1.009","","","","has coordinates","256678","2020-10-21","18:00:00",""
"4038830","8.8123","0.0002","30.9425","0.0007","9.2575","0.0002","90","","98.8763","0.0008","90","","2494.05","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H39 Li N3 P -","- C24 H39 Li N3 P -","- C96 H156 Li4 N12 P4 -","4","2","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.034","0.0337","","","0.0908","0.0911","","","","","","1.016","","","","has coordinates","256679","2020-10-21","18:00:00",""
"4038831","9.856","0.0002","11.5291","0.0002","17.2583","0.0004","90","","90","","90","","1961.07","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0306","0.0286","","","0.0738","0.0755","","","","","","1.033","","","","has coordinates","256680","2020-10-21","18:00:00",""
"4038832","10.8041","0.0006","15.3336","0.0008","13.3346","0.0007","90","","102.262","0.0014","90","","2158.7","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H54 B F4 N2 O4 P4 Rh -","- C40 H54 B F4 N2 O4 P4 Rh -","- C80 H108 B2 F8 N4 O8 P8 Rh2 -","2","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","1.54178","CuKα","","0.0254","0.0254","","","0.0682","0.0682","","","","","","1.044","","","","has coordinates","256681","2020-10-21","18:00:00",""
"4038833","9.638","0.0009","16.4283","0.0014","12.1516","0.0013","90","","105.707","0.01","90","","1852.2","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 B F3 N2 O -","- C23 H16 B F3 N2 O -","- C92 H64 B4 F12 N8 O4 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","0.71073","MoKα","","0.0812","0.0656","","","0.1639","0.1791","","","","","","1.049","","","","has coordinates","257133","2020-10-21","18:00:00",""
"4038834","17.3714","0.0003","14.8912","0.0002","9.2154","0.0001","90","","104.076","0.001","90","","2312.27","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 B Br F3 N2 O4 -","- C25 H17 B Br F3 N2 O4 -","- C100 H68 B4 Br4 F12 N8 O16 -","4","1","","Yang, Tianbao; Cao, Xin; Zhang, Xing-Xing; Ou, Yifeng; Au, Chak-Tong; Yin, Shuang-Feng; Qiu, Renhua","Iodine-Catalyzed Synthesis of <i>N,N</i>'-Chelate Organoboron Aminoquinolate.","The Journal of organic chemistry","2020","85","19","12430","12443","10.1021/acs.joc.0c01649","","x-ray","1.54184","CuKα","","0.0372","0.0356","","","0.0942","0.0957","","","","","","1.05","","","","has coordinates,has disorder","257133","2020-10-21","18:00:00",""
"4038835","10.2581","0.0006","11.4654","0.0008","14.5949","0.0009","70.423","0.002","85.801","0.002","75.155","0.002","1563.19","0.17","157","2","157","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N2 O5 Si -","- C29 H36 N2 O5 Si -","- C58 H72 N4 O10 Si2 -","2","1","","Zhang, Yan-Xue; Chen, Ling-Yan; Sun, Jian-Ting; Si, Chang-Mei; Wei, Bang-Guo","Gold-Catalyzed Addition-<i>N</i>-Boc Cleavage-Cyclization of <i>N</i>,<i>O</i>-Acetal with Ynamides for Construction of 6-(<i>tert</i>-Butyldimethylsilyl)oxy-tetrahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-ones.","The Journal of organic chemistry","2020","85","19","12603","12613","10.1021/acs.joc.0c01776","","","0.71073","mokα","","0.0562","0.0426","","","0.1045","0.1137","","","","","","1.034","","","","has coordinates","257135","2020-10-21","18:00:00",""
"4038836","18.889","0.004","11.865","0.002","19.04","0.005","90","","90","","90","","4267.2","1.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Lim, Taehyun; Kim, Byeong Moon","Synthesis of α-aminophosphonates via phosphonylation of an aryne-imine adduct.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01410","","","0.71073","MoKα","","0.1547","0.0703","","","0.1833","0.2366","","","","","","1.031","","","","has coordinates","256685","2020-10-21","18:00:00",""
"4038837","11.4662","0.0015","13.068","0.002","16.186","0.002","82.877","0.009","88.111","0.009","79.015","0.011","2362.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","2","","Lepovitz, Lance T.; Martin, Stephen F.","Biomimetically Inspired, One-Step Synthesis of Exotine A and Exotine B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01524","","","0.71073","MoKα","","0.131","0.0797","","","0.1745","0.2133","","","","","","1.004","","","","has coordinates","256686","2020-10-21","18:00:00",""
"4038838","9.6838","0.0002","8.3369","0.0001","9.8668","0.0002","90","","116.416","0.002","90","","713.4","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Li, Shu-Sen; Wang, Jianbo","Cu(I)/Chiral Bisoxazoline-Catalyzed Enantioselective Sommelet-Hauser Rearrangement of Sulfonium Ylides.","The Journal of organic chemistry","2020","85","19","12343","12358","10.1021/acs.joc.0c01590","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.0596","0.0596","","","","","","1.028","","","","has coordinates","257151","2020-10-21","18:00:00",""
"4038839","23.2393","0.0013","7.5636","0.0004","7.3759","0.0004","90","","100.902","0.003","90","","1273.08","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.0494","0.0391","","","0.1052","0.1167","","","","","","1.05","","","","has coordinates","256777","2020-10-21","18:00:00",""
"4038840","6.381","0.004","13.803","0.009","7.88","0.005","90","","95.82","0.02","90","","690.5","0.8","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H20 N2 -","- C16 H20 N2 -","- C32 H40 N4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.064","0.0481","","","0.1111","0.1209","","","","","","1.028","","","","has coordinates","256778","2020-10-21","18:00:00",""
"4038841","7.327","0.004","15.647","0.009","7.711","0.004","90","","96.781","0.014","90","","877.8","0.8","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.1026","0.0662","","","0.1419","0.1596","","","","","","1.056","","","","has coordinates","256779","2020-10-21","18:00:00",""
"4038842","11.799","0.004","18.531","0.006","12.441","0.004","90","","101.186","0.012","90","","2668.5","1.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N O2 P -","- C29 H38 N O2 P -","- C116 H152 N4 O8 P4 -","4","1","","Huang, Yange; Choy, Pui Ying; Wang, Junya; Tse, Man Kin; Sun, Raymond Wai-Yin; Chan, Albert Sun Chi; Kwong, Fuk Yee","Palladium-catalyzed Monoarylation of Arylhydrazines with Aryl Tosylates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01599","","","0.71073","MoKα","","0.0601","0.0512","","","0.1183","0.1263","","","","","","1.144","","","","has coordinates","256780","2020-10-21","18:00:00",""
"4038843","8.3188","0.0008","9.3992","0.0011","15.4909","0.0009","75.866","0.007","82.881","0.006","74.752","0.009","1130.91","0.19","291.63","0.1","291.63","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N O3 P -","- C28 H22 N O3 P -","- C56 H44 N2 O6 P2 -","2","1","","Lou, Qin-Xin; Niu, Yuan; Qi, Zhi-Chao; Yang, Shang-Dong","Ir(III)-Catalyzed C-H Functionalization of Triphenylphosphine Oxide Towards 3-Aryl Oxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00999","","x-ray","1.54184","CuKα","","0.096","0.0752","","","0.2115","0.2443","","","","","","1.104","","","","has coordinates","256833","2020-10-21","18:00:00",""
"4038844","8.7033","0.0006","10.3399","0.001","11.7859","0.0011","113.729","0.009","92.491","0.006","101.392","0.007","942.86","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C42 H48 N4 O4 -","2","1","","Yang, Zi; Yue, Qi; Yang, Mengqi; Zhang, Hong; Cui, Xiuling","Ru(II)-catalyzed tunable cascade reaction via C-H/C-C bond cleavage.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01614","","x-ray","0.71073","MoKα","","0.074","0.0487","","","0.1426","0.1683","","","","","","1.03","","","","has coordinates","256834","2020-10-21","18:00:00",""
"4038845","9.8585","0.0006","9.5244","0.0006","21.7395","0.0013","90","","99.223","0.002","90","","2014.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","","Golmohammadi, Farhad; Balalaie, Saeed; Fathi Vavsari, Vaezeh; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Synthesis of Spiro-β-lactam-pyrroloquinolines as Fused Heterocyclic Scaffolds through Post-transformation Reactions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01817","","","0.71073","MoKα","","0.0776","0.048","","","0.103","0.1168","","","","","","1.032","","","","has coordinates","256835","2020-10-21","18:00:00",""
"4038846","10.01784","0.00017","10.98794","0.00013","15.5845","0.0002","90","","105.645","0.0016","90","","1651.92","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N O3 -","- C18 H16 Cl N O3 -","- C72 H64 Cl4 N4 O12 -","4","1","","Peng, Haiyun; Zhang, Yu; Zhu, Yang; Deng, Guisheng","Silver(I)-catalyzed Domino Cyclization/Cyclopropanation/Ring-Cleavage/Nucleophilic Substitution Reaction of Enynones with Enamines: Synthesis of 4-(furan-2-yl)-3,4-dihydro-2<i>H</i>-pyrrol-2-one.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01711","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.0968","0.0988","","","","","","1.039","","","","has coordinates","256836","2020-10-21","18:00:00",""
"4038847","9.4553","0.0003","7.4507","0.0003","24.9074","0.0008","90","","90","","90","","1754.69","0.11","293.77","0.1","293.77","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O S2 -","- C19 H19 N O S2 -","- C76 H76 N4 O4 S8 -","4","1","","Cheng, Bin; Li, Hui; Hou, Jieping; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Xu, Wei; Wang, Taimin; Zhai, Hongbin","Synthesis of 3,4-Dihydro-2H-1,3-thiazines from α-Enolic Dithioesters and 1,3,5-Triazinanes via a Formal (3 + 3) Annulation Reaction","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01984","","x-ray","1.54184","CuKα","","0.0367","0.035","","","0.0873","0.0899","","","","","","1.092","","","","has coordinates","256837","2020-10-21","18:00:00",""
"4038848","5.921","0.0001","9.6597","0.0001","32.1824","0.0005","90","","90","","90","","1840.68","0.05","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Yuan, Jinping; Jain, Pankaj; Antilla, Jon C.","Bi(cyclopentyl)diol-Derived Boronates in Highly Enantioselective Chiral Phosphoric Acid-Catalyzed Allylation, Propargylation and Crotylation of Aldehydes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01646","","x-ray","1.54184","CuKα","","0.0368","0.0324","","","0.0826","0.0878","","","","","","1.078","","","","has coordinates","256875","2020-10-21","18:00:00",""
"4038849","9.11","0.0008","10.547","0.0009","11.7739","0.0011","90","","90","","90","","1131.27","0.17","298","2","298.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Zhao, Yulei; Guo, Xuqiang; Si, Zhiyao; Hu, Yanan; Sun, Ying; Liu, Yunlin; Ji, Zhongyin; You, Jinmao","Hydrosilane-Assisted Synthesis of Urea Derivatives from CO<sub>2</sub> and Amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02032","","","0.71073","MoKα","","0.1211","0.0506","","","0.1037","0.1346","","","","","","0.926","","","","has coordinates","256896","2020-10-21","18:00:00",""
"4038850","16.1173","0.001","6.0319","0.0003","19.9118","0.0013","90","","110.983","0.002","90","","1807.42","0.19","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan","Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02122","","","0.71073","MoKα","","0.0799","0.0424","","","0.0997","0.1164","","","","","","1.01","","","","has coordinates","256897","2020-10-21","18:00:00",""
"4038851","10.0472","0.001","9.0898","0.0008","20.6002","0.0019","90","","98.372","0.003","90","","1861.3","0.3","264","2","264","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C24 H18 N2 S -","- C24 H18 N2 S -","- C96 H72 N8 S4 -","4","1","","Kumar, Jogendra; Suresh, Eringathodi; Bhadra, Sukalyan","Catalytic Direct α-Amination of Arylacetic Acid Synthons with Anilines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02122","","","0.71073","Mokα","","0.0769","0.0484","","","0.1274","0.15","","","","","","1.081","","","","has coordinates","256898","2020-10-21","18:00:00",""
"4038852","9.5102","0.0005","8.4541","0.0005","16.722","0.0009","90","","104.133","0.002","90","","1303.76","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","","Hu, Sha; Lu, Zuolin; Liu, Minjie; Xu, Hanlin; Wu, Jiale; Chen, Fener","TfOH-Catalyzed Cascade C-H Activation/Lactonization of Phenols with alpha-Aryl-alpha-Diazoesters: Rapid Access to alpha-Aryl Benzofuranones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01583","","","1.34138","GaKα","","0.0349","0.0322","","","0.0835","0.0861","","","","","","1.044","","","","has coordinates","256899","2020-10-21","18:00:00",""
"4038853","19.334","0.002","15.9626","0.0018","24.978","0.003","90","","97.191","0.001","90","","7648.1","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H87 N4 O4 -","- C93 H87 N4 O4 -","- C372 H348 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.142","0.0684","","","0.1483","0.1778","","","","","","1.003","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038854","13.151","0.002","18.373","0.003","29.23","0.005","90","","97.522","0.002","90","","7002","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H80 Cl2 N4 O4 -","- C85 H80 Cl2 N4 O4 -","- C340 H320 Cl8 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1914","0.0965","","","0.2307","0.2791","","","","","","1.017","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038855","14.701","0.002","38.079","0.006","14.624","0.002","90","","110.677","0.002","90","","7659.2","1.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H80 Cl2 N4 O4 -","- C85 H80 Cl2 N4 O4 -","- C340 H320 Cl8 N16 O16 -","4","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1564","0.0839","","","0.2372","0.2815","","","","","","1.034","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038856","15.172","0.003","15.412","0.003","17.553","0.004","81.596","0.003","75.237","0.003","86.921","0.003","3925.7","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C85.52 H83.04 Cl5.04 N4 O12 -","- C85.52 H83.04 Cl5.0395 N4 O12 -","- C171.04 H166.08 Cl10.079 N8 O24 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.2015","0.1192","","","0.2414","0.2775","","","","","","1.091","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038857","15.715","0.002","15.84","0.002","16.452","0.002","97.24","0.002","90.434","0.002","99.096","0.002","4010","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C87.5 H83 Cl3 F6 N4 O10 S2 -","- C87.5 H83 Cl3 F6 N4 O10 S2 -","- C175 H166 Cl6 F12 N8 O20 S4 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.1178","0.0721","","","0.1587","0.1793","","","","","","1.022","","","","has coordinates,has disorder","256900","2020-10-21","18:00:00",""
"4038858","15.3192","0.0015","16.6129","0.0017","17.287","0.0017","92.847","0.001","100.839","0.001","108.55","0.001","4068.1","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H81 Cl3 N4 O5 Zn -","- C86 H81 Cl3 N4 O5 Zn -","- C172 H162 Cl6 N8 O10 Zn2 -","2","1","","Ishizuka, Tomoya; Tanaka, Shogo; Uchida, Sayaka; Wei, Lianyu; Kojima, Takahiko","Selective Convergence to Atropisomers of a Porphyrin Derivative Having Bulky Substituents at the Periphery.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01876","","","0.71073","MoKα","","0.0812","0.0617","","","0.171","0.1858","","","","","","1.017","","","","has coordinates","256900","2020-10-21","18:00:00",""
"4038859","9.2046","0.0002","16.5447","0.0004","21.3255","0.0005","90","","91.645","0.002","90","","3246.27","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N3 O P -","- C39 H34 N3 O P -","- C156 H136 N12 O4 P4 -","4","1","","Pattarawarapan, Mookda; Yamano, Dolnapa; Wiriya, Nittaya; Yimklan, Saranphong; Phakhodee, Wong","Simultaneous Formation and Functionalization of Aryliminophosphoranes Using 1,3-Dihydro-1<i>H</i>-benzimidazol-2-ones as Precursors.","The Journal of organic chemistry","2020","85","20","13330","13338","10.1021/acs.joc.0c01979","","x-ray","0.71073","MoKα","","0.0768","0.0522","","","0.1304","0.143","","","","","","1.069","","","","has coordinates,has disorder","258716","2020-11-04","01:30:35",""
"4038860","22.801","0.005","17.372","0.004","13.239","0.003","90","","94.494","0.007","90","","5228","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N O6.5 -","- C22 H28 N O6.5 -","- C176 H224 N8 O52 -","8","1","","Xiong, Wei; Wang, Xiaohong; Shen, Xianyan; Hu, Cuifang; Wang, Xin; Wang, Fei; Zhang, Guolin; Wang, Chun","Synthesis of Flavonols via Pyrrolidine Catalysis: Origins of the Selectivity for Flavonol versus Aurone.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01869","","","1.34138","GaKα","","0.0706","0.0632","","","0.2012","0.2102","","","","","","1.066","","","","has coordinates,has disorder","256958","2020-10-21","18:00:00",""
"4038861","7.756","0.003","43.788","0.014","9.04","0.003","90","","114.516","0.008","90","","2793.4","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 Br O4 Si -","- C26 H41 Br O4 Si -","- C104 H164 Br4 O16 Si4 -","4","2","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","0.71073","MoKα","","0.0811","0.0527","","","0.0994","0.1105","","","","","","1.039","","","","has coordinates,has disorder","256959","2020-10-21","18:00:00",""
"4038862","24.0111","0.0015","24.0111","0.0015","22.65","0.002","90","","90","","120","","11309","1.4","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C450 H480 O90 -","30","5","","Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M","Total Synthesis and Structure Revision of (-)-Avicennone C.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01792","","","1.54178","CuKα","","0.0851","0.0696","","","0.1835","0.1986","","","","","","1.041","","","","has coordinates,has disorder","256960","2020-10-21","18:00:00",""
"4038863","10.676","0.004","8.467","0.003","11.173","0.004","90","","106.897","0.004","90","","966.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Debnath, Sudipto; Das, Tuluma; Pati, Tanmay K.; Majumdar, Swapan; Maiti, Dilip K.","Metal-Free Indole-Phenacyl Bromide Cyclization: A Regioselective Synthesis of 3,5-Diarylcarbazoles.","The Journal of organic chemistry","2020","85","20","13272","13279","10.1021/acs.joc.0c01670","","","0.71073","MoKα","","0.0422","0.0358","","","0.0915","0.0983","","","","","","0.846","","","","has coordinates","258718","2020-11-04","01:30:53",""
"4038864","10.434","0.0007","6.0505","0.0004","29.2143","0.0019","90","","96.876","0.002","90","","1831.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 O3 P -","- C22 H21 O3 P -","- C88 H84 O12 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","0.71073","MoKα","","0.075","0.051","","","0.1111","0.1206","","","","","","1.08","","","","has coordinates","256962","2020-10-21","18:00:00",""
"4038865","10.6804","0.0004","7.2713","0.0003","12.814","0.0005","90","","90.712","0.002","90","","995.06","0.07","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 O3 P -","- C9 H13 O3 P -","- C36 H52 O12 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","0.71073","MoKα","","0.0496","0.0363","","","0.1205","0.1339","","","","","","0.954","","","","has coordinates","256963","2020-10-21","18:00:00",""
"4038866","9.7568","0.0003","16.9083","0.0005","11.2062","0.0003","90","","94.842","0.002","90","","1842.1","0.09","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F6 P -","- C21 H13 F6 P -","- C84 H52 F24 P4 -","4","1","","Han, Zeyu; Röhner, David; Samedov, Kerim; Gates, Derek P.","Isolable Phosphaalkenes Bearing 2,4,6-Trimethoxyphenyl and 2,6-Bis(trifluoromethyl)phenyl as P-Substituents.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01514","","","1.54178","CuKα","","0.0637","0.0463","","","0.1129","0.1233","","","","","","1.022","","","","has coordinates","256964","2020-10-21","18:00:00",""
"4038867","21.8967","0.0007","8.026","0.0002","25.7249","0.0011","90","","111.928","0.004","90","","4193.9","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 N2 P4 -","- C42 H58 N2 P4 -","- C168 H232 N8 P16 -","4","0.5","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.061","0.043","","","0.093","0.101","","","","","","1.028","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038868","12.6527","0.0007","13.775","0.0007","16.0646","0.0005","104.584","0.004","98.638","0.003","115.784","0.005","2329","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N2 P4 -","- C48 H66 N2 P4 -","- C96 H132 N4 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.1245","0.0601","","","0.0995","0.1246","","","","","","1.008","","","","has coordinates,has disorder","257185","2020-10-21","18:00:00",""
"4038869","11.3964","0.0005","13.8689","0.0007","15.4979","0.0007","106.832","0.004","103.174","0.004","105.045","0.004","2139.1","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H62 N2 P4 -","- C44 H62 N2 P4 -","- C88 H124 N4 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0972","0.0503","","","0.0991","0.118","","","","","","0.995","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038870","10.11","0.03","11.896","0.016","12.699","0.017","113.23","0.016","104.32","0.02","98.18","0.02","1310","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,10-Di(4?-methylbenzyl)-3,8,12,17-(RSSR)-tetra(pyridine-2?-yl)-3,8,12,17- tetraoxo-1,10-diaza?3,8,12,17?tetraphosphacyclooctadecane","","- C24 H29 N3 O2 P2 -","- C24 H29 N3 O2 P2 -","- C48 H58 N6 O4 P4 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.2882","0.0788","","","0.1697","0.2549","","","","","","0.891","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038871","13.1558","0.0002","21.3869","0.0003","16.3943","0.0003","90","","108.413","0.002","90","","4376.58","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 B2 F8 N2 Ni P4 -","- C42 H58 B2 F8 N2 Ni P4 -","- C168 H232 B8 F32 N8 Ni4 P16 -","4","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0737","0.0449","","","0.0906","0.1017","","","","","","1.028","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038872","10.99","0.0017","13.243","0.002","20.297","0.003","88.718","0.002","84.969","0.002","71.022","0.002","2782.6","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","[(1,10-Di(4?-methylbenzyl)-3,8,12,17-(RSSR)-tetra(pyridine-2?-yl)-1,10-diaza?3,8,12,17? tetraphosphacyclooctadecane)nickel(II) tetrafluoroborate","","- C48 H58 B2 F8 N6 Ni P4 -","- C48 H58 B2 F8 N6 Ni P4 -","- C96 H116 B4 F16 N12 Ni2 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0662","0.0483","","","0.1371","0.153","","","","","","0.984","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038873","10.957","0.003","19.503","0.004","13.36","0.003","90","","106.509","0.003","90","","2737.3","1.1","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[(1,10-Di((R)-(1?-phenylethyl)-3,8,12,17-(RSSR)-tetra(4-methylpyridine-2?-yl)-1,10-diaza? 3,8,12,17?tetraphosphacyclooctadecane)nickel(II) tetrafluoroborate","","- C52 H66 B2 F8 N6 Ni O0 P4 -","- C52 H66 B2 F8 N6 Ni P4 -","- C104 H132 B4 F16 N12 Ni2 P8 -","2","1","","Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01317","","","0.71073","MoKα","","0.0841","0.0587","","","0.1531","0.1738","","","","","","0.968","","","","has coordinates","257185","2020-10-21","18:00:00",""
"4038874","8.1218","0.0009","11.2194","0.001","13.0487","0.001","65.267","0.008","79.27","0.008","78.503","0.008","1051.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N2 O6 -","- C21 H27 N2 O6 -","- C42 H54 N4 O12 -","2","1","","Chen, Yanhui; Lv, Weiwei; Ba, Dan; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Chemoselective Synthesis of 2-Aminocinnamyl Esters via Sequential Amination and Olefination of Aryl Iodides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01695","","x-ray","0.71073","MoKα","","0.1063","0.0664","","","0.1515","0.1733","","","","","","0.989","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4038875","6.7505","0.0001","13.9462","0.0001","22.3174","0.0002","90","","90","","90","","2101.05","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0794","0.0821","","","","","","1.051","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038876","6.0637","0.0001","16.8612","0.0002","19.9302","0.0002","90","","90","","90","","2037.69","0.05","169.99","0.11","169.99","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0441","0.0415","","","0.1055","0.1116","","","","","","1.069","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038877","6.3659","0.0002","17.1828","0.0006","20.1654","0.0008","66.231","0.002","89.24","0.002","89.986","0.002","2018.46","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C93 H65 Cl3 O7 -","- C93 H63 Cl3 O7 -","- C93 H63 Cl3 O7 -","1","1","","Zhang, Xiang-Zhi; Li, Bao Qiong; Qiu, Zong-Wang; Ma, Aijun; Peng, Jin-Bao; Du, Ji-Yuan; Feng, Na; Xu, Xue-Tao; Pan, Han-Peng","Synthesis of Naphthopyrans <i>via</i> Formal (3+3)-Annulation of Propargylic (Aza)-<i>para</i>-Quinone Methides with Naphthols.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01791","","","1.54178","CuKα","","0.0697","0.0619","","","0.1647","0.173","","","","","","1.019","","","","has coordinates,has disorder","258237","2020-10-21","18:00:00",""
"4038878","6.4266","0.0003","15.5268","0.0006","16.3329","0.0006","90","","90","","90","","1629.77","0.12","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Yadav, Jyothi; Pawar, Amol Prakash; Nagare, Yadav Kacharu; Iype, Eldhose; Rangan, Krishnan; Ohshita, Joji; Kumar, Dalip; Kumar, Indresh","Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02141","","x-ray","0.71073","MoKα","","0.0311","0.0258","","","0.0598","0.0615","","","","","","1.073","","","","has coordinates","258277","2020-10-21","18:00:00",""
"4038879","9.3426","0.0009","21.642","0.002","7.3217","0.0007","90","","95.5215","0.0019","90","","1473.5","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","El-Hage, Firas; Schöll, Christopher; Pospech, Jola","Photo-mediated Decarboxylative Giese-Type Reaction using Organic Pyrimidopteridine Photoredox Catalysts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01955","","","0.71073","MoKα","","0.0522","0.041","","","0.105","0.1157","","","","","","1.028","","","","has coordinates","258278","2020-10-21","18:00:00",""
"4038880","29.9197","0.0013","21.7163","0.0008","12.1918","0.0004","90","","90","","90","","7921.6","0.5","200","2","200","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C90 H108 N6 -","- C90 H108 N6 -","- C360 H432 N24 -","4","0.5","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.1258","0.0614","","","0.1262","0.1555","","","","","","1.063","","","","has coordinates,has disorder","258307","2020-10-21","18:00:00",""
"4038881","11.9345","0.0003","11.9345","0.0003","40.593","0.002","90","","90","","120","","5007.1","0.3","200","2","200","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C48 H66 N8 -","- C48 H66 N8 -","- C192 H264 N32 -","4","0.666667","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.2291","0.1747","","","0.391","0.4431","","","","","","1.724","","","","has coordinates","258307","2020-10-21","18:00:00",""
"4038882","13.1663","0.0008","14.0425","0.0008","18.3518","0.001","71.914","0.004","88.948","0.005","85.804","0.005","3216.7","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 N6 -","- C66 H84 N6 -","- C132 H168 N12 -","2","1","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.1243","0.0754","","","0.1913","0.2201","","","","","","1.044","","","","has coordinates","258307","2020-10-21","18:00:00",""
"4038883","7.919","0.002","34.155","0.009","7.5867","0.0019","90","","92.857","0.009","90","","2049.5","0.9","299","2","298.92","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.0621","0.0508","","","0.1243","0.1304","","","","","","1.15","","","","has coordinates","258312","2020-10-21","18:00:00",""
"4038884","52.965","0.015","8.731","0.002","14.249","0.004","90","","90","","90","","6589","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C320 H256 N32 O32 -","16","2","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.1202","0.0665","","","0.1315","0.1482","","","","","","1.116","","","","has coordinates","258313","2020-10-21","18:00:00",""
"4038885","7.7764","0.0002","16.2542","0.0006","17.3988","0.0006","62.893","0.004","87.319","0.003","78.993","0.003","1919.58","0.13","249.97","0.18","249.97","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C48.05 H40 N4 O4 -","- C48.04 H40 N4 O4 -","- C96.08 H80 N8 O8 -","2","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","x-ray","0.71073","MoKα","","0.1243","0.0618","","","0.1579","0.1964","","","","","","1.001","","","","has coordinates","258314","2020-10-21","18:00:00",""
"4038886","7.9652","0.0007","8.0725","0.0008","30.441","0.003","95.554","0.004","95.804","0.004","96.061","0.004","1925","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N6 O4 -","- C48 H34 N6 O4 -","- C96 H68 N12 O8 -","2","1","","Beesu, Mallesh; Mehta, Goverdhan","Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02087","","","0.71073","MoKα","","0.1772","0.0851","","","0.1762","0.2081","","","","","","1.077","","","","has coordinates","258315","2020-10-21","18:00:00",""
"4038887","7.12","0.0006","7.8736","0.0006","21.6656","0.0019","90","","93.465","0.001","90","","1212.35","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br2 F O2 S -","- C10 H7 Br2 F O2 S -","- C40 H28 Br8 F4 O8 S4 -","4","1","","Zhang, Zai-Wei; Wang, Shi-Meng; Fang, Wan-Yin; Lekkala, Ravindar; Qin, Hua-Li","A protocol for stereoselective construction of highly functionalized dienyl sulfonyl fluoride warheads.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01877","","","0.71073","MoKα","","0.0458","0.033","","","0.0786","0.0821","","","","","","1.092","","","","has coordinates","258316","2020-10-21","18:00:00",""
"4038888","10.5346","0.0005","15.4968","0.0007","10.755","0.0006","90","","110.95","0.004","90","","1639.71","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl F6 N3 -","- C15 H16 Cl F6 N3 -","- C60 H64 Cl4 F24 N12 -","4","2","","Dinh, Andrew N.; Maddox, Sean M.; Vaidya, Sagar D.; Saputra, Mirza A.; Nalbandian, Christopher J.; Gustafson, Jeffrey L.","Catalyst-Controlled Regioselective Chlorination of Phenols and Anilines through a Lewis Basic Selenoether Catalyst","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01917","","x-ray","1.54178","CuKα","","0.1016","0.0638","","","0.1525","0.1775","","","","","","1.025","","","","has coordinates","258317","2020-10-21","18:00:00",""
"4038889","13.4355","0.0004","14.6914","0.0004","19.5353","0.0006","90","","90","","90","","3856","0.2","100","0.2","100","0.2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","1","","Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui","One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01833","","","1.54178","CuKα","","0.0262","0.0256","","","0.0662","0.0667","","","","","","1.093","","","","has coordinates","258348","2020-10-21","18:00:00",""
"4038890","6.1618","0.0005","8.7522","0.0006","20.3805","0.0017","88.042","0.006","84.239","0.007","78.625","0.006","1071.96","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C58 H46 N2 O4 -","2","1","","Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui","One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01833","","","0.71073","MoKα","","0.1434","0.0564","","","0.1379","0.1547","","","","","","1.009","","","","has coordinates","258349","2020-10-21","18:00:00",""
"4038891","6.9527","0.0002","6.30259","0.00016","7.5416","0.0002","90","","114.963","0.004","90","","299.6","0.017","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H3 Cl N4 -","- C5 H3 Cl N4 -","- C10 H6 Cl2 N8 -","2","0.5","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0319","0.0319","","","0.0832","0.0832","","","","","","1.123","","","","has coordinates","258401","2020-10-21","18:00:00",""
"4038892","7.6546","0.0006","10.4869","0.0007","11.4484","0.0008","71.511","0.006","82.118","0.006","82.695","0.006","859.9","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N5 O -","- C20 H19 N5 O -","- C40 H38 N10 O2 -","2","1","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0417","0.0358","","","0.0938","0.0987","","","","","","1.031","","","","has coordinates","258402","2020-10-21","18:00:00",""
"4038893","9.27494","0.00016","8.81723","0.00013","12.0155","0.0002","90","","92.8415","0.0017","90","","981.41","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","","Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.","Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01045","","x-ray","1.54184","CuKα","","0.0347","0.0323","","","0.0863","0.0889","","","","","","1.068","","","","has coordinates","258403","2020-10-21","18:00:00",""
"4038894","8.3608","0.0001","16.9291","0.0001","23.1401","0.0002","90","","90","","90","","3275.27","0.05","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 S Si2 -","- C30 H50 O4 S Si2 -","- C120 H200 O16 S4 Si8 -","4","1","","Kim, Hyun Su; Park, Hyunkyung; Lim, Juhee; Lim, Changjin; Kim, Taewoo; Lee, Seungbeom; Hur, Joonseong; Sim, Jaehoon; Choi, Hyun Jin; Suh, Young-Ger","Collective Syntheses of Guaiane Sesquiterpenes: Stereoselective Syntheses of (+)-Dysodensiol F, (+)-10β,14-Dihydroxy-<i>allo</i>-aromadendrane, and (-)-Dendroside C Aglycon.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01907","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0721","0.073","","","","","","1.019","","","","has coordinates,has disorder","258404","2020-10-21","18:00:00",""
"4038895","10.878","0.006","17.189","0.01","8.189","0.005","90","","107.049","0.012","90","","1463.9","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","","Shi, Wei; Ma, Fang; Li, Pinhua; Wang, Lei; Miao, Tao","Visible-Light-Induced Decarboxylative Cyclization/Hydrogenation Cascade Reaction to Access Phenanthridin-6-yl(aryl)methanol by an Electron Donor‒Acceptor Complex","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01916","","","0.71073","MoKα","","0.108","0.0541","","","0.1256","0.1587","","","","","","0.999","","","","has coordinates","258432","2020-10-21","18:00:00",""
"4038896","8.1816","0.0005","17.041","0.0009","12.2796","0.0008","90","","107.688","0.007","90","","1631.12","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl2 N3 Pd -","- C38 H37 Cl2 N3 Pd -","- C76 H74 Cl4 N6 Pd2 -","2","1","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","","0.71073","MoKα","","0.0242","0.0228","","","0.0544","0.0553","","","","","","1.056","","","","has coordinates","258452","2020-10-21","18:00:00",""
"4038897","21.7121","0.0008","21.2886","0.0008","16.5409","0.0007","90","","111.614","0.002","90","","7108","0.5","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl3 N3 Pd -","- C38 H36 Cl3 N3 Pd -","- C304 H288 Cl24 N24 Pd8 -","8","2","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","x-ray","0.71073","MoKα","","0.0928","0.0468","","","0.1056","0.1241","","","","","","1.016","","","","has coordinates,has disorder","258453","2020-10-21","18:00:00",""
"4038898","15.5895","0.0005","14.6791","0.0006","19.4121","0.0007","90","","94.969","0.003","90","","4425.6","0.3","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 Cl2 N2 P Pd -","- C51 H47 Cl2 N2 P Pd -","- C204 H188 Cl8 N8 P4 Pd4 -","4","1","","Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.","Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02024","","","0.71073","MoKα","","0.0644","0.0451","","","0.0931","0.1024","","","","","","1.045","","","","has coordinates,has disorder","258454","2020-10-21","18:00:00",""
"4038902","20.1817","0.0004","5.8935","0.0001","21.8822","0.0005","90","","108.294","0.001","90","","2471.14","0.09","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C96 H140 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0634","0.0515","","","0.1373","0.1538","","","","","","1.059","","","","has coordinates","258532","2020-10-21","23:21:46",""
"4038903","5.9728","0.0004","12.6582","0.0008","31.5671","0.0019","90","","90","","90","","2386.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N O5 -","- C24 H34 N O5 -","- C96 H136 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0985","0.0586","","","0.1533","0.1829","","","","","","0.91","","","","has coordinates","258532","2020-10-21","23:21:47",""
"4038904","10.1898","0.0017","20.428","0.003","24.565","0.004","90","","90","","90","","5113.4","1.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H69 N O8 Si2 -","- C49 H69 N O8 Si2 -","- C196 H276 N4 O32 Si8 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","0.71073","MoKα","","0.1108","0.0615","","","0.1546","0.181","","","","","","1.015","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038905","6.9385","0.0002","11.2966","0.0004","16.5485","0.0006","90","","93.908","0.001","90","","1294.08","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C50 H70 N2 O14 -","2","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0505","0.0394","","","0.1114","0.118","","","","","","1.06","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038906","5.1493","0.0004","24.3955","0.0012","34.606","0.003","90","","90","","90","","4347.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Br3 N O8 -","- C45 H43 Br3 N O8 -","- C180 H172 Br12 N4 O32 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.1724","0.1129","","","0.3081","0.3554","","","","","","1.127","","","","has coordinates,has disorder","258532","2020-10-21","23:21:48",""
"4038907","13.0523","0.0014","10.5054","0.0011","17.776","0.0019","90","","98.567","0.002","90","","2410.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Ge, Junying; Ding, Qiuping; Long, Xujing; Liu, Xuan; Peng, Yiyuan","Copper(II)-Catalyzed Domino Synthesis of 4-Benzenesulfonyl Isoxazoles from 2-Nitro-1,3-enynes, Amines, and Sodium Benzenesulfinate","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01964","","","0.71073","MoKα","","0.0572","0.0401","","","0.1019","0.1104","","","","","","1.031","","","","has coordinates","258533","2020-10-21","23:22:25",""
"4038908","21.1613","0.0017","8.9412","0.0007","10.6525","0.0009","90","","90","","90","","2015.5","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C88 H100 N4 O32 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.0383","0.0355","","","0.0917","0.094","","","","","","1.074","","","","has coordinates","258534","2020-10-21","23:23:36",""
"4038909","13.7326","0.0016","9.2331","0.0011","19.795","0.002","90","","94.273","0.002","90","","2502.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N O10 -","- C26 H33 N O10 -","- C104 H132 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.0575","0.0433","","","0.1171","0.1266","","","","","","1.036","","","","has coordinates,has disorder","258534","2020-10-21","23:23:36",""
"4038910","12.2847","0.0014","17.7579","0.0019","12.6581","0.0014","90","","116.277","0.002","90","","2476","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O10 -","- C26 H31 N O10 -","- C104 H124 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.073","0.0475","","","0.1175","0.1305","","","","","","1.029","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038911","8.0864","0.0013","12.184","0.002","15.082","0.003","104.931","0.003","105.413","0.002","92.31","0.003","1374.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cl2 N O10 -","- C27 H33 Cl2 N O10 -","- C54 H66 Cl4 N2 O20 -","2","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","0.71073","MoKα","","0.1213","0.1029","","","0.3081","0.3293","","","","","","1.071","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038912","10.3752","0.0002","9.7872","0.0002","21.5064","0.0005","90","","100.142","0.001","90","","2149.73","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C92 H100 N4 O40 -","4","1","","Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin","Total Synthesis of Dactylicapnosines A and B.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01900","","","1.54178","CuKα","","0.0479","0.0375","","","0.0891","0.0962","","","","","","1.039","","","","has coordinates","258534","2020-10-21","23:23:37",""
"4038913","11.4151","0.0005","11.6462","0.0005","12.5464","0.0006","94.5164","0.0013","93.3913","0.0013","106.558","0.0012","1588","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C72 H96 N8 O4 -","2","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","1.54178","CuKα","","0.0501","0.0487","","","0.1309","0.1322","","","","","","1.155","","","","has coordinates,has disorder","258535","2020-10-21","23:25:56",""
"4038914","16.1303","0.0007","11.074","0.0005","17.9593","0.0008","90","","97.4689","0.0017","90","","3180.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C144 H192 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.053","0.0432","","","0.1159","0.1222","","","","","","1.064","","","","has coordinates,has disorder","258535","2020-10-21","23:25:58",""
"4038915","13.3711","0.0005","12.805","0.0005","20.1366","0.0007","90","","90","","90","","3447.7","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C152 H216 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0551","0.0432","","","0.1085","0.1157","","","","","","1.052","","","","has coordinates,has disorder","258535","2020-10-21","23:25:58",""
"4038916","7.7374","0.0013","10.168","0.0015","11.5734","0.0019","66.641","0.006","84.803","0.007","82.683","0.007","828.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","1","0.5","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0746","0.0571","","","0.154","0.1626","","","","","","1.085","","","","has coordinates","258535","2020-10-21","23:26:00",""
"4038917","8.6099","0.0004","13.0696","0.0005","15.3288","0.0006","75.546","0.002","85.851","0.002","73.985","0.002","1605.48","0.12","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H48 N4 O2 -","- C36 H48 N4 O2 -","- C72 H96 N8 O4 -","2","2","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","1.54178","CuKα","","0.0422","0.0393","","","0.1045","0.1066","","","","","","1.073","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038918","28.938","0.002","15.8655","0.0009","16.4572","0.0011","90","","120.87","0.002","90","","6485.4","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N4 O2 -","- C35.9865 H47.9815 N3.9985 O1.9995 -","- C287.892 H383.852 N31.988 O15.996 -","8","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0843","0.0671","","","0.1789","0.1887","","","","","","1.14","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038919","11.2338","0.0005","12.1485","0.0005","24.1749","0.001","90","","95.6697","0.0018","90","","3283.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N4 O2 -","- C36 H50 N4 O2 -","- C144 H200 N16 O8 -","4","1","","Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian","Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01989","","","0.71073","MoKα","","0.0647","0.0582","","","0.1541","0.1579","","","","","","1.128","","","","has coordinates,has disorder","258535","2020-10-21","23:26:01",""
"4038920","9.5399","0.0002","9.9824","0.0002","13.668","0.0003","90","","90","","90","","1301.62","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Ma, Yun-Bao; Huang, Xiao-Yan; Zhang, Xue-Mei; Chen, Ji-Jun","Artatrovirenols A and B: Two Cagelike Sesquiterpenoids from Artemisia atrovirens","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01491","","","1.54178","CuKα","","0.0308","0.0306","","","0.0804","0.0808","","","","","","1.097","","","","has coordinates","258566","2020-10-22","23:31:20",""
"4038921","9.5603","0.0005","15.4396","0.0007","14.7968","0.0007","90","","92.646","0.002","90","","2181.79","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C116 H100 N12 O4 -","4","1","","Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.","Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01882","","","0.71073","MoKα","","0.0948","0.0661","","","0.1498","0.1665","","","","","","1.029","","","","has coordinates","258586","2020-10-23","23:12:05",""
"4038922","11.7391","0.0006","12.2007","0.0007","13.0911","0.0007","102.355","0.0018","103.287","0.0018","104.958","0.0018","1686.84","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H29 N3 -","- C44 H29 N3 -","- C88 H58 N6 -","2","1","","Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.","Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01882","","","0.71073","MoKα","","0.08","0.0603","","","0.1333","0.1441","","","","","","1.035","","","","has coordinates","258587","2020-10-23","23:12:29",""
"4038924","18.7848","0.0018","30.833","0.003","16.9686","0.0018","90","","92.29","0.002","90","","9820.2","1.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 N6 -","- C55 H80 N6 -","- C440 H640 N48 -","8","2","","Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.","Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01708","","x-ray","0.71073","MoKα","","0.1004","0.0663","","","0.1754","0.2086","","","","","","1.033","","","","has coordinates","258620","2020-10-28","00:21:58",""
"4038925","11.406","0.002","11.952","0.002","12.014","0.002","87.77","0.03","64.09","0.03","89.1","0.03","1472.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H43 N3 O3 -","- C30 H43 N3 O3 -","- C60 H86 N6 O6 -","2","1","","Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.","Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01708","","","0.71073","MoKα","","0.0893","0.0765","","","0.2279","0.2417","","","","","","1.034","","","","has coordinates,has disorder","258620","2020-10-28","00:21:59",""
"4038926","9.0147","0.0003","10.9941","0.0005","11.1906","0.0005","90","","90","","90","","1109.08","0.08","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl2 O3 -","- C11 H8 Cl2 O3 -","- C44 H32 Cl8 O12 -","4","1","","Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak","Correction to ""Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters"".","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02380","","x-ray","0.71073","MoKα","K-L~3~","0.0349","0.0305","","","0.0796","0.0827","","","","","","1.037","","","","has coordinates","258639","2020-10-30","00:22:09",""
"4038927","10.818","0.005","10.444","0.005","10.9","0.005","90","","105.617","0.017","90","","1186.1","1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 O3 -","- C12 H10 Cl2 O3 -","- C48 H40 Cl8 O12 -","4","1","","Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak","Correction to ""Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters"".","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02380","","x-ray","0.71073","MoKα","K-L~3~","0.0372","0.0317","","","0.0821","0.086","","","","","","1.035","","","","has coordinates","258640","2020-10-30","00:22:31",""
"4038928","9.4467","0.0002","28.7768","0.0006","10.3242","0.0002","90","","90","","90","","2806.59","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H35 Cl2 N3 O4 -","- C29 H35 Cl2 N3 O4 -","- C116 H140 Cl8 N12 O16 -","4","1","","Blasco-Brusola, Alejandro; Vayá, Ignacio; Miranda, Miguel A.","Influence of the Linking Bridge on the Photoreactivity of Benzophenone-Thymine Conjugates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02088","","x-ray","1.54178","CuKα","","0.0605","0.0492","","","0.1261","0.1332","","","","","","1.033","","","","has coordinates,has disorder","258641","2020-10-30","00:22:54",""
"4038929","9.6091","0.0005","10.3612","0.0006","12.9622","0.0009","85.879","0.005","77.215","0.005","80.871","0.004","1241.7","0.13","112","19","112","19","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C58 H60 N4 O10 -","2","1","","Cui, Hai-Lei; Liu, Si-Wei; Xiao, Xue","Synthesis of Tetrahydroindolizino[8,7-b]indole Derivatives in the Presence of Fe(OTf)3 or CF3SO3H through Intramolecular Dearomatization of Indole","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02188","","x-ray","0.71073","MoKα","","0.0603","0.0469","","","0.1047","0.1129","","","","","","1.048","","","","has coordinates","258660","2020-10-31","00:22:18",""
"4038930","10.3387","0.0005","15.7767","0.0005","11.6622","0.0006","90","","115.548","0.006","90","","1716.24","0.16","292.76","0.1","292.76","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl N S2 -","- C19 H18 Cl N S2 -","- C76 H72 Cl4 N4 S8 -","4","1","","Jia, Hongbin; Min, Deng; Guo, Tianyun; Wu, Mingzhong; Wang, Xiaolei; Liu, Jian; Tang, Shouchu","Dithiane Induced [3+2] Cycloaddition Tactic for the Convergent Synthesis of Dihydropyrrole and Pyrrole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01145","","","1.54184","CuKα","","0.0578","0.0516","","","0.1444","0.1529","","","","","","1.044","","","","has coordinates","259101","2020-11-12","00:22:57",""
"4038931","23.974","0.002","7.3487","0.0007","22.763","0.002","90","","90","","90","","4010.3","0.6","120","","120","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C49 H38 N2 O5 S3 -","- C49 H38 N2 O5 S3 -","- C196 H152 N8 O20 S12 -","4","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.1254","0.1015","","","0.2622","0.2804","","","","","","1.054","","","","has coordinates,has disorder","259275","2020-11-29","00:07:59",""
"4038932","15.6023","0.0012","16.9894","0.0013","25.0925","0.0019","90","","96.251","0.0017","90","","6611.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H29 N2 O4.5 S3 -","- C39.5 H29 N2 O4.5 S3 -","- C316 H232 N16 O36 S24 -","8","2","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","","0.6889","synchrotron","","0.073","0.0655","","","0.1711","0.1769","","","","","","1.045","","","","has coordinates,has disorder","271326","2021-12-10","12:32:36",""
"4038933","7.3353","0.0009","13.8284","0.0016","19.709","0.002","96.934","0.007","93.806","0.007","105.314","0.006","1904","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 D6 N2 O5 S4 -","- C44 H30 D6 N2 O5 S4 -","- C88 H60 D12 N4 O10 S8 -","2","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","1.54184","CuKα","","0.1482","0.0621","","","0.1292","0.1686","","","","","","0.979","","","","has coordinates,has disorder","259277","2020-11-29","00:08:46",""
"4038934","13.751","0.003","12.365","0.003","20.967","0.006","90","","104.142","0.009","90","","3457","1.5","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H34 N2 O4 S3 -","- C44 H34 N2 O4 S3 -","- C176 H136 N8 O16 S12 -","4","0.5","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.0701","0.0646","","","0.1422","0.1454","","","","","","1.15","","","","has coordinates,has disorder","259278","2020-11-29","00:09:08",""
"4038935","7.3272","0.0002","13.9943","0.0005","21.5754","0.0008","93.0414","0.0017","92.2764","0.0015","105.033","0.0016","2130.31","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H31 Cl3 N2 O6 S3 -","- C47.35 H30.7 Cl3 N2 O6 S3 -","- C94.7 H61.4 Cl6 N4 O12 S6 -","2","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","1.54184","CuKα","","0.0796","0.0566","","","0.1365","0.1536","","","","","","1.023","","","","has coordinates,has disorder","259279","2020-11-29","00:09:35",""
"4038940","9.9355","0.0001","17.2277","0.0002","10.3753","0.0002","90","","112.62","0.002","90","","1639.29","0.05","301.07","0.1","301.07","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Vershinin, Vlada; Forkosh, Hagit; Ben-Lulu, Mor; Libman, Anna; Pappo, Doron","Mechanistic Insights into the FeCl<sub>3</sub>-Catalyzed Oxidative Cross-Coupling of Phenols with 2-Aminonaphthalenes.","The Journal of organic chemistry","2020","86","1","79","90","10.1021/acs.joc.0c00874","","x-ray","1.54184","CuKα","","0.0511","0.0452","","","0.128","0.1342","","","","","","1.07","","","","has coordinates","260433","2021-01-04","03:18:29",""
"4038943","10.3223","0.0004","6.0857","0.0003","11.5807","0.0005","90","","94.121","0.002","90","","725.6","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","","0.71073","MoKα","","0.0592","0.0533","","","0.141","0.1463","","","","","","1.07","","","","has coordinates","260347","2021-01-02","00:10:44",""
"4038944","7.6019","0.0005","12.1084","0.0008","18.2856","0.0011","90","","90","","90","","1683.13","0.19","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C76 H96 Cl4 N4 O4 -","4","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","x-ray","0.71073","MoKα","","0.085","0.0387","","","0.0565","0.0625","","","","","","0.833","","","","has coordinates","260348","2021-01-02","00:11:05",""
"4038945","13.3732","0.0007","13.3732","0.0007","10.8212","0.0007","90","","90","","120","","1676.01","0.16","150","","150","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19 -nonaene-4,5,11,12,17,18-hexol unknown solvate","","- C20 H14 O6 -","- C20 H14 O6 -","- C40 H28 O12 -","2","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0493","0.0488","","","0.1623","0.1635","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","260362","2021-01-02","03:47:05",""
"4038946","11.154","0.0005","14.2902","0.0006","19.7538","0.0009","100.214","0.002","90.119","0.002","95.774","0.002","3082.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","6,6',6'',6'''-[6,12-dihydroindeno[1,2-b]fluorene -6,6,12,12-tetrayltetrakis(4,1-phenylene)] tetrakis(1,3,5-triazine-2,4-diamine) 1,4-dioxane solvate dimethyl sulfoxide solvate","","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.1664","0.1488","","","0.4111","0.4329","","","","","","1.796","","","","has coordinates,has disorder","260363","2021-01-02","04:07:30",""
"4038947","7.8092","0.0003","17.4192","0.0007","6.8514","0.0003","90","","95.335","0.002","90","","927.96","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,2,5]thiadiazolo[3',4':5,6]naphtho[1,2-c][1,2,5]thiadiazole","","- C10 H4 N4 S2 -","- C10 H4 N4 S2 -","- C40 H16 N16 S8 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.54178","CuKα","","0.0501","0.0492","","","0.1643","0.1653","","","","","","1.142","","","","has coordinates","260366","2021-01-02","15:12:25",""
"4038948","3.8045","0.0001","9.6098","0.0003","16.4052","0.0004","90","","92.4211","0.0014","90","","599.25","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2,5]thiadiazolo[3',4':5,6]anthra[1,2-c][1,2,5]thiadiazole-6,12-dione","","- C14 H4 N4 O2 S2 -","- C14 H4 N4 O2 S2 -","- C28 H8 N8 O4 S4 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.049","0.0458","","","0.1244","0.128","","","","","","1.127","","","","has coordinates","260367","2021-01-02","15:12:37",""
"4038949","13.1602","0.0007","12.283","0.0006","14.3308","0.0007","90","","111.651","0.002","90","","2153.09","0.19","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","10,10'-spirobi[[1,2,5]thiadiazolo[3',4':6,7] fluoreno[2,3-c][1,2,5]thiadiazole]","","- C25 H8 N8 S4 -","- C25 H8 N8 S4 -","- C100 H32 N32 S16 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0565","0.054","","","0.1294","0.1308","","","","","","1.06","","","","has coordinates","260368","2021-01-02","15:12:52",""
"4038950","16.3407","0.0003","16.3407","0.0003","19.0557","0.0004","90","","90","","90","","5088.22","0.17","100","","100","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2,4,7,9,12,14,17,19,21,23,26,28-dodecaene dimethyl sulfoxide solvate","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C160 H64 N48 S24 -","8","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0377","0.036","","","0.1051","0.1066","","","","","","1.106","","","","has coordinates","260369","2021-01-02","15:13:02",""
"4038951","18.9035","0.0009","18.9035","0.0009","18.9035","0.0009","90","","90","","90","","6755","0.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27] nonacosa-2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C60 fullerene mesitylene solvate","","- C109 H28 N12 S6 -","- C109.014 H28.0016 N12 S6 -","- C436.055 H112.006 N48 S24 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.1284","0.1142","","","0.2762","0.2868","","","","","","1.083","","","","has coordinates,has disorder","260370","2021-01-02","15:13:46",""
"4038952","19.504","0.0003","19.504","0.0003","19.504","0.0003","90","","90","","90","","7419.4","0.2","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C70 fullerene carbon disulfide solvate","","- C113 H16 N12 S12 -","- C112.976 H16 N12 S12 -","- C451.905 H64 N48 S48 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0686","0.0641","","","0.1724","0.1774","","","","","","1.208","","","","has coordinates,has disorder","260371","2021-01-02","15:14:12",""
"4038989","16.44","0.002","17.2113","0.0015","14.4688","0.0014","90","","116.005","0.005","90","","3679.5","0.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C128 H64 N128 -","16","4","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.1286","0.0736","","","0.2149","0.2765","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","275603","2022-05-22","12:30:18",""
"4038990","4.9738","0.0002","12.2716","0.0004","14.6059","0.0005","90","","90","","90","","891.49","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Azidotetrazolo(5,1-a)phthalazine","6-azido-4H-tetrazolo[5,1-a]phthalazine","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.029","0.0271","","","0.0737","0.0755","","","","","","1.035","","","","has coordinates,has Fobs","275604","2022-05-22","12:30:35",""
"4038991","16.4145","0.001","17.1201","0.0009","19.7351","0.0012","76.729","0.003","85.855","0.003","89.965","0.003","5383","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C192 H96 N192 -","24","12","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.0879","0.0674","","","0.1805","0.1976","","","","","","1.026","","","","has coordinates,has Fobs","275605","2022-05-22","12:30:54",""
"4038992","16.423","0.0008","17.1344","0.0008","25.7615","0.0013","90","","97.989","0.002","90","","7178.9","0.6","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C256 H128 N256 -","32","8","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.1302","0.1126","","","0.2999","0.3176","","","","","","1.103","","","","has coordinates,has Fobs","275606","2022-05-22","12:31:10",""
"4038993","4.9733","0.0001","12.1827","0.0003","14.5857","0.0003","90","","92.319","0.001","90","","883","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","2","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0351","0.0351","","","0.1015","0.1015","","","","","","1.059","","","","has coordinates,has Fobs","275607","2022-05-22","12:31:22",""
"4038994","8.3082","0.0004","13.8805","0.0006","8.052","0.0004","90","","100.967","0.002","90","","911.61","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0344","0.0315","","","0.0893","0.0925","","","","","","1.05","","","","has coordinates,has Fobs","275608","2022-05-22","12:31:33",""
"4038995","20.2505","0.001","33.1064","0.0015","5.3773","0.0003","90","","90","","90","","3605.1","0.3","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C128 H64 N128 -","16","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0404","0.0367","","","0.0908","0.0934","","","","","","1.062","","","","has coordinates,has Fobs","275609","2022-05-22","12:40:24",""
"4038996","6.1658","0.0001","17.1862","0.0003","8.8111","0.0002","90","","102.164","0.001","90","","912.72","0.03","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0445","0.0429","","","0.1071","0.1094","","","","","","1.068","","","","has coordinates,has Fobs","275610","2022-05-22","12:40:35",""
"4038997","7.4796","0.0002","5.1345","0.0001","11.9958","0.0003","90","","104.155","0.001","90","","446.699","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C16 H8 N16 -","2","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0359","0.0358","","","0.0904","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","275611","2022-05-22","12:40:46",""
"4038998","18.3893","0.0004","18.6897","0.0005","12.66","0.0003","90","","90","","90","","4351.12","0.18","150","","150","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C25.5 H20 O5.5 -","- C25.5 H20 O5.5 -","- C204 H160 O44 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.34139","GaKα","","0.0473","0.0467","","","0.1283","0.1297","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","276090","2022-06-18","15:03:08",""
"4038999","12.8587","0.0003","8.9635","0.0002","30.2132","0.0007","90","","90","","90","","3482.34","0.14","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0456","0.0376","","","0.0974","0.1038","","","","","","1.033","","","","has coordinates,has Fobs","276091","2022-06-18","15:03:22",""
"4039000","12.955","0.0012","9.0569","0.0009","30.47","0.003","90","","90","","90","","3575.1","0.6","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0478","0.0419","","","0.106","0.112","","","","","","1.038","","","","has coordinates,has Fobs","276094","2022-06-18","15:03:36",""
"4039001","3.8692","0.0002","13.0002","0.0005","13.4342","0.0006","90","","92.021","0.002","90","","675.32","0.05","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0488","0.048","","","0.1436","0.1443","","","","","","1.166","","","","has coordinates,has Fobs","276095","2022-06-18","15:03:46",""
"4039002","3.7666","0.0004","11.9321","0.0013","9.487","0.0009","90","","90.18","0.007","90","","426.38","0.08","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O2 -","- C12 H8 O2 -","- C24 H16 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0536","0.0446","","","0.1292","0.1443","","","","","","0.943","","","","has coordinates,has Fobs","276096","2022-06-18","15:03:56",""
"4039003","9.4974","0.0005","20.7529","0.0009","4.8353","0.0003","90","","90","","90","","953.03","0.09","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0518","0.0408","","","0.0913","0.0962","","","","","","1.139","","","","has coordinates,has Fobs","276097","2022-06-18","15:04:07",""
"4039004","4.8559","0.0001","10.7212","0.0003","12.4441","0.0003","90","","98.773","0.001","90","","640.27","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 Br4 O2 -","- C12 H4 Br4 O2 -","- C24 H8 Br8 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0349","0.0348","","","0.0964","0.0964","","","","","","1.159","","","","has coordinates,has Fobs","276098","2022-06-18","15:04:16",""
"4039005","7.4617","0.0005","10.9134","0.0006","11.5066","0.0006","81.561","0.003","74.206","0.004","83.191","0.004","888.83","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H4 Cl4 O2 -","- C12 H4 Cl4 O2 -","- C36 H12 Cl12 O6 -","3","1.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0545","0.0476","","","0.1231","0.1292","","","","","","1.019","","","","has coordinates,has Fobs","276099","2022-06-18","15:04:34",""
"4039006","6.9048","0.0002","4.6436","0.0001","19.7929","0.0006","90","","99.258","0.001","90","","626.36","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C32 H36 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.34139","GaKα","","0.0416","0.0397","","","0.1215","0.1244","","","","","","1.107","","","","has coordinates,has Fobs","276100","2022-06-18","15:04:48",""
"4039007","5.1591","0.0004","11.0703","0.0008","10.7115","0.0007","90","","95.006","0.005","90","","609.43","0.08","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0394","0.0371","","","0.1111","0.1134","","","","","","1.101","","","","has coordinates,has Fobs","276101","2022-06-18","15:04:59",""
"4039008","5.576","0.0003","10.2185","0.0005","10.9447","0.0005","90","","90.06","0.002","90","","623.61","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0364","0.0359","","","0.101","0.1015","","","","","","1.055","","","","has coordinates,has Fobs","276102","2022-06-18","15:05:08",""
"4039009","9.9404","0.0003","12.579","0.0004","15.1193","0.0004","90","","90","","90","","1890.52","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0379","0.0376","","","0.0996","0.0999","","","","","","1.043","","","","has coordinates,has Fobs","276103","2022-06-18","15:05:19",""
"4039010","3.9361","0.0005","8.1328","0.0012","10.09","0.0015","103.215","0.006","98.917","0.006","94.489","0.006","308.46","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C16 H17 O2 -","- C16 H17 O2 -","- C16 H17 O2 -","1","0.5","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.34139","GaKα","","0.0479","0.0448","","","0.1362","0.1406","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","280031","2022-12-24","15:22:43",""
"4039011","7.7126","0.0006","8.7927","0.0007","10.319","0.0008","97.989","0.004","102.763","0.005","115.573","0.005","593.39","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diol","","- C28 H22 Cl4 O4 -","- C28 H22 Cl4 O4 -","- C28 H22 Cl4 O4 -","1","0.5","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.1087","0.096","","","0.2257","0.2428","","","","","","1.069","","","","has coordinates,has Fobs","280032","2022-12-24","15:22:53",""
"4039012","7.8307","0.0003","8.1915","0.0003","10.2693","0.0006","75.078","0.003","76.037","0.002","85.769","0.003","617.66","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetrabromo[1,1'-biphenyl]-4,4'-diol","","- C14 H11 Br2 O2 -","- C14 H11 Br2 O2 -","- C28 H22 Br4 O4 -","2","1","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.0773","0.0678","","","0.1851","0.1938","","","","","","1.153","","","","has coordinates,has Fobs","280033","2022-12-24","15:23:02",""
"4039013","19.7264","0.0005","6.2955","0.0002","8.8067","0.0002","90","","110.054","0.001","90","","1027.37","0.05","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C22 H18 Cl4 O4 -","- C22 H18 Cl4 O4 -","- C44 H36 Cl8 O8 -","2","0.25","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.027","0.0269","","","0.0773","0.0775","","","","","","1.074","","","","has coordinates,has Fobs","280034","2022-12-24","15:23:12",""
"4039014","19.8053","0.0003","6.3558","0.00001","9.0498","0.0002","90","","109.266","0.0001","90","","1075.38","0.03","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C22 H18 Br4 O4 -","- C22 H18 Br4 O4 -","- C44 H36 Br8 O8 -","2","0.25","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.0253","0.0253","","","0.0726","0.0726","","","","","","1.201","","","","has coordinates,has Fobs","280035","2022-12-24","15:23:22",""
"4039021","9.4236","0.0006","14.5883","0.001","9.7872","0.0007","90","","94.083","0.003","90","","1342.07","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-diaminobenzene-1,3-diaminium 2,5-diaminobenzene-1,4-diaminium dichloride","","- C6 H12 Cl2 N4 -","- C6 H12 Cl2 N4 -","- C36 H72 Cl12 N24 -","6","1.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0587","0.0458","","","0.1313","0.1429","","","","","","1.11","","","","has coordinates,has Fobs","288033","2023-12-05","13:40:16",""
"4039022","8.0533","0.0003","9.6682","0.0003","7.3499","0.0003","90","","90","","90","","572.27","0.04","150","","150","","","","","","","","","4","P n n m","-P 2 2n","58","","bensene-1,2,4,5-tetraaminium tetrachloride","","- C6 H14 Cl4 N4 -","- C6 H14 Cl4 N4 -","- C12 H28 Cl8 N8 -","2","0.25","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0224","0.0224","","","0.0562","0.0562","","","","","","1.121","","","","has coordinates,has Fobs","288034","2023-12-05","13:40:42",""
"4039023","10.7151","0.001","7.784","0.0008","7.291","0.0008","90","","90","","90","","608.12","0.11","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","3,6-Diiminocyclohexa-1,4-diene-1,4-diamine","","- C6 H8 N4 -","- C6 H8 N4 -","- C24 H32 N16 -","4","1","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.54178","CuKα","","0.0676","0.0537","","","0.1456","0.1543","","","","","","1.228","","","","has coordinates,has Fobs","288035","2023-12-05","13:40:54",""
"4039024","5.3141","0.0002","7.3724","0.0003","11.3921","0.0005","90","","99.436","0.001","90","","440.28","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Diaminocyclohexa-2,5-diene-1,4-diiminium Dichloride","","- C6 H10 Cl2 N4 -","- C6 H10 Cl2 N4 -","- C12 H20 Cl4 N8 -","2","0.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0361","0.0287","","","0.0756","0.076","","","","","","1.108","","","","has coordinates,has Fobs","288036","2023-12-05","13:41:21",""
"4039025","7.7694","0.0005","5.5029","0.0003","7.4694","0.0005","90","","101.064","0.004","90","","313.41","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Benzene-1,2,4,5-tetraamine","","- C6 H10 N4 -","- C6 H10 N4 -","- C12 H20 N8 -","2","0.5","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.34139","GaKα","","0.0608","0.0475","","","0.1215","0.1283","","","","","","1.071","","","","has coordinates,has Fobs","288037","2023-12-05","13:42:16",""
"4039027","12.8992","0.0004","6.1645","0.0002","35.2338","0.0011","90","","100.471","0.002","90","","2755.03","0.15","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","","tert-Butyl (S)-2-((S)-hydroxy((1R,2R)-2-((S)-2-((S)-hydroxy- ((1R,2R)-2-(methoxycarbonyl)cyclopentyl)methyl)pyrrolidine-1- carbonyl)cyclopentyl)methyl)pyrrolidine-1-carboxylate","","- C28 H46 N2 O7 -","- C28 H46 N2 O7 -","- C112 H184 N8 O28 -","4","1","","Garsi, Jean-Baptiste; Aguiar, Pedro M.; Berger, Gilles; Maris, Thierry; Hanessian, Stephen","Pseudodiproline (Pro-Cyp) Oligomers Fold into Helical Polyproline Type secondary structures","Journal of Organic Chemistry","2024","89","","4283","4293","10.1021/acs.joc.3c02840","","x-ray","1.54178","CuKα","","0.036","0.0328","","","0.0808","0.0831","","","","","","1.031","","","","has coordinates,has Fobs","291189","2024-04-11","20:20:01",""
"5000239","7.5059","0.0001","14.199","0.0003","28.7786","0.0001","90","","90","","90","","3067.12","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 O7 -","- C33 H50 O7 -","- C132 H200 O28 -","4","1","","Jiménez, Jorge I.; Yoshida, Wesley Y.; Scheuer, Paul J.; Lobkovsky, Emil; Clardy, Jon; Kelly, Michelle","Honulactones: New Bishomoscalarane Sesterterpenes from the Indonesian Sponge Strepsichordaia aliena","Journal of Organic Chemistry","2000","65","21","6837","6840","10.1021/jo991924b","","","","","","","","","","","","","","","","","","","","","has coordinates","175443","2020-10-21","18:00:00",""
"5000243","5.635","0.002","10.53","0.002","15.448","0.005","74.78","0.02","82.51","0.03","89.59","0.02","876.58","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Fahy, Eoin; Andersen, Raymond J.; Xu, Chang Fu; Clardy, Jon","Annulins A and B, metabolites of the marine hydroid Garveia annulata","The Journal of Organic Chemistry","1986","51","26","5145","5148","10.1021/jo00376a017","","","","","","","","","","","","","","","","","","","","","has coordinates","175443","2020-10-21","18:00:00",""
"5000245","11.553","0.001","9.759","0.001","11.9","0.002","90","","114.56","0.01","90","","1220.29","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C50 H80 O10 -","2","1","","Capon, Robert J.; MacLeod, John K.; Willis, Anthony C.","Trunculins A and B, norsesterterpene cyclic peroxides from a marine sponge, Latrunculia brevis","Journal of Organic Chemistry","1987","52","3","339","342","10.1021/jo00379a004","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000248","8.545","0.003","10.639","0.005","11.994","0.005","90","","100.42","0.03","90","","1072.4","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Br O3 -","- C23 H29 Br O3 -","- C46 H58 Br2 O6 -","2","1","","Djura, Peter; Stierle, Donald B.; Sullivan, Brian; Faulkner, D. John; Arnold, Edward V.; Clardy, Jon","Some metabolites of the marine sponges Smenospongia aurea and Smenospongia (Polyfibrospongia) echina","Journal of Organic Chemistry","1980","45","8","1435","1441}","10.1021/jo01296a019","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000264","11.816","0.003","10.294","0.004","21.255","0.004","90","","107.6","0.2","90","","2464.31","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O8 -","- C25 H36 O7 -","- C100 H144 O28 -","4","2","","Roussis, Vassilios; Wu, Zhongde; Fenical, William; Strobel, Scott A.; Van Duyne, Gregory D.; Clardy, Jon","New anti-inflammatory pseudopterosins from the marine octocoral Pseudopterogorgia elisabethae","Journal of Organic Chemistry","1990","55","16","4916","4922","10.1021/jo00303a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000390","16.6635","0.0007","7.8104","0.0003","14.4375","0.0004","90","","101.079","0.003","90","","1844","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tri(o-tolyl)fluorosilane","","- C21 H21 F Si -","- C21 H24 F Si -","- C84 H96 F4 Si4 -","4","1","","Dell, Steven; Ho, Douglas M.; Pascal, Jr., Robert A.","in- and out-Cyclophanes Bearing Non-Hydrogen Bridgehead Substituents","The Journal of Organic Chemistry","1999","64","15","5626","5633","10.1021/jo990727+","","","","","","","5.1","","","5.1","","","","","","","","","","","has coordinates","199708","2020-10-21","18:00:00",""
"5000392","10.3293","0.0004","17.0485","0.0006","15.3155","0.0005","90","","109.324","0.002","90","","2545.1","","","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fluorosilaphane","Tribenzo 6-fluoro-6-sila-2,10,19-trithia(5^6,14^)(11)metacyclophane","","- C30 H27 F S3 Si -","- C30 H27 F S3 Si -","- C120 H108 F4 S12 Si4 -","4","1","","Dell, Steven; Ho, Douglas M.; Pascal, Jr., Robert A.","in- and out-Cyclophanes Bearing Non-Hydrogen Bridgehead Substituents","The Journal of Organic Chemistry","1999","64","15","5626","5633","10.1021/jo990727+","","","","","","","4.77","","","4.77","","","","","","","","","","","has coordinates","199708","2020-10-21","18:00:00",""